| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35 | Very low | 61.7 | Low | 232 Ų | 232 | 135.3 Ų | 135.3 | 100% | 1.143 | 70% | 0.701 | S | S | * | * | 0 | 124.3 | 0 | -79.7 | 175.3 | 171.1 | 0 | 0 | 107.2 | N3 | M1-N3 PolarHBondContact O-N 3.39Š| |||
| 2 | N | 42.1 | Very low | 62.7 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | trans | -71.1 | 109.6 | 169.6 | -84.7 | -6.2 | 0 | 0 | 0 | 107.6 | E4 | N2-E4 VanDerWaalsContact C-N 3.31Å; N2-E4 PolarHBondContact O-N 2.63Å | ||
| 3 | N | 49.1 | Very low | 63.6 | Low | 161 Ų | 161 | 128 Ų | 128 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | trans | -71.6 | 91.2 | 167.6 | -91.9 | -8 | 0 | 0 | 0 | 107.8 | M1 Y5 | M1-N3 PolarHBondContact O-N 3.39Å; N3-Y5 PolarHBondContact O-N 3.11Å | ||
| 4 | E | 45.5 | Very low | 64.2 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | trans | -65.3 | 112.5 | 168.4 | -75.3 | -172.1 | 166.1 | 0 | 0 | 108.9 | N2 N6 S9 | N2-E4 VanDerWaalsContact C-N 3.31Å; N2-E4 PolarHBondContact O-N 2.63Å; E4-N6 PolarHBondContact O-N 3.3Å; E4-S9 PolarHBondContact O-OG 3.35Å; E4-S9 VanDerWaalsContact O-OG 3.13Å | ||
| 5 | Y | 68.6 | Low | 65 | Low | 190 Ų | 190 | 124.2 Ų | 124.2 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | trans | -81.8 | 92.5 | 170.8 | -175.3 | -104.7 | 0 | 0 | 0 | 108.5 | N3 S9 I10 | N3-Y5 PolarHBondContact O-N 3.11Å; Y5-S9 WeakPolarHBondContact CA-OG 3.26Å; Y5-I10 HydrophobicContact CE2-CD1 4.27Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.42Å | ||
| 6 | N | 77.3 | Confident | 66.2 | Low | 76 Ų | 76 | 117.4 Ų | 117.4 | 41% | 0.406 | 63% | 0.626 | S | S | . | * | trans | -121 | -175.6 | -179.7 | 65.7 | 27.1 | 0 | 0 | 0 | 110.6 | E4 A8 S9 | E4-N6 PolarHBondContact O-N 3.3Å; N6-A8 PolarHBondContact O-N 3.42Å; N6-A8 VanDerWaalsContact O-N 3.1Å; N6-A8 WeakPolarHBondContact OD1-CA 3.46Å; N6-A8 VanDerWaalsContact OD1-CB 3.25Å; N6-A8 WeakPolarHBondContact OD1-CB 3.48Å; N6-A8 PolarHBondContact OD1-N 3.26Å; N6-S9 PolarHBondContact N-OG 2.86Å; N6-S9 WeakPolarHBondContact O-CA 3.47Å; N6-S9 VanDerWaalsContact O-CB 3.23Å; N6-S9 WeakPolarHBondContact O-CB 3.49Å; N6-S9 PolarHBondContact O-N 3.02Å; N6-S9 PolarHBondContact O-OG 3.33Å; N6-S9 PolarHBondContact OD1-N 3.03Å | ||
| 7 | D | 73.2 | Confident | 67.2 | Low | 155 Ų | 155 | 117.5 Ų | 117.5 | 83% | 0.829 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -56.7 | -28.8 | -179.3 | -59.9 | -20.9 | 0 | 0 | 0 | 112.7 | S9 I10 | D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.35Å; D7-I10 PolarHBondContact O-N 3.27Å |
| 8 | A | 71.8 | Confident | 68.1 | Low | 85 Ų | 85 | 112.3 Ų | 112.3 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -75.2 | -14.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N6 I10 | N6-A8 PolarHBondContact O-N 3.42Å; N6-A8 VanDerWaalsContact O-N 3.1Å; N6-A8 WeakPolarHBondContact OD1-CA 3.46Å; N6-A8 VanDerWaalsContact OD1-CB 3.25Å; N6-A8 WeakPolarHBondContact OD1-CB 3.48Å; N6-A8 PolarHBondContact OD1-N 3.26Å; A8-I10 VanDerWaalsContact C-N 3.29Å |
| 9 | S | 75.7 | Confident | 69.1 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -76.9 | -16.8 | 171.4 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | E4 Y5 N6 D7 Q11 | E4-S9 PolarHBondContact O-OG 3.35Å; E4-S9 VanDerWaalsContact O-OG 3.13Å; Y5-S9 WeakPolarHBondContact CA-OG 3.26Å; N6-S9 PolarHBondContact N-OG 2.86Å; N6-S9 WeakPolarHBondContact O-CA 3.47Å; N6-S9 VanDerWaalsContact O-CB 3.23Å; N6-S9 WeakPolarHBondContact O-CB 3.49Å; N6-S9 PolarHBondContact O-N 3.02Å; N6-S9 PolarHBondContact O-OG 3.33Å; N6-S9 PolarHBondContact OD1-N 3.03Å; D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.35Å; S9-Q11 PolarHBondContact O-N 3.06Å |
| 10 | I | 68.1 | Low | 69.9 | Low | 98 Ų | 98 | 104.5 Ų | 104.5 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | trans | -82.9 | 102.1 | 176.6 | -53.7 | -58.6 | 0 | 0 | 0 | 108.8 | Y5 D7 A8 | Y5-I10 HydrophobicContact CE2-CD1 4.27Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.42Å; D7-I10 PolarHBondContact O-N 3.27Å; A8-I10 VanDerWaalsContact C-N 3.29Å | ||
| 11 | Q | 73 | Confident | 70.6 | Confident | 137 Ų | 137 | 105.4 Ų | 105.4 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 124.5 | 173.2 | -68 | -177.3 | -3.4 | 0 | 0 | 110 | S9 | S9-Q11 PolarHBondContact O-N 3.06Š|
| 12 | V | 72.9 | Confident | 72.9 | Confident | 113 Ų | 113 | 102.8 Ų | 102.8 | 69% | 0.685 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 120.2 | 165.8 | -178 | 0 | 0 | 0 | 0 | 107 | E14 | V12-E14 HydrophobicContact CG1-CG 4.27Š|
| 13 | L | 74.4 | Confident | 74.9 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 33% | 0.33 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 118.5 | 172.9 | -60 | 173.8 | 0 | 0 | 0 | 107.4 | E17 A18 K21 | L13-E17 HydrophobicContact CB-CB 4.4Å; L13-E17 HydrophobicContact CD2-CB 4.46Å; L13-A18 HydrophobicContact CB-CB 4.12Å; L13-A18 HydrophobicContact CD1-CB 4.29Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 HydrophobicContact CD1-CD 3.93Å; L13-K21 HydrophobicContact CD2-CD 3.92Å |
| 14 | E | 72.3 | Confident | 76.2 | Confident | 149 Ų | 149 | 89.9 Ų | 89.9 | 70% | 0.696 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -97 | 142.8 | -179.6 | -68.1 | -173.4 | 172.7 | 0 | 0 | 111.1 | V12 L16 E17 | V12-E14 HydrophobicContact CG1-CG 4.27Å; E14-L16 PolarHBondContact O-N 3.01Å; E14-E17 PolarHBondContact O-N 3.46Å |
| 15 | G | 75.6 | Confident | 77.6 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 52% | 0.515 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -126.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 16 | L | 85.4 | Confident | 78.1 | Confident | 16 Ų | 16 | 82.9 Ų | 82.9 | 8% | 0.084 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.7 | -175.2 | -61.1 | -177.7 | 0 | 0 | 0 | 114.4 | E14 A18 V19 R20 L96 A123 | E14-L16 PolarHBondContact O-N 3.01Å; L16-A18 PolarHBondContact O-N 3.44Å; L16-V19 WeakPolarHBondContact O-CB 3.49Å; L16-V19 PolarHBondContact O-N 2.72Å; L16-R20 PolarHBondContact O-N 3.19Å; L16-L96 HydrophobicContact CD2-CD2 4.11Å; L16-L96 HydrophobicContact CD2-CG 4.13Å; L16-A123 HydrophobicContact CB-CB 3.87Å; L16-A123 HydrophobicContact CD1-CB 4.04Å; L16-A123 HydrophobicContact CD2-CB 4.26Å; L16-A123 HydrophobicContact CG-CB 4.27Å |
| 17 | E | 82.1 | Confident | 78.2 | Confident | 119 Ų | 119 | 79.6 Ų | 79.6 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.4 | -33.5 | -179.6 | -70.3 | -169.8 | 163.5 | 0 | 0 | 112.6 | L13 E14 V19 R20 K21 | L13-E17 HydrophobicContact CB-CB 4.4Å; L13-E17 HydrophobicContact CD2-CB 4.46Å; E14-E17 PolarHBondContact O-N 3.46Å; E17-V19 VanDerWaalsContact C-N 3.28Å; E17-V19 PolarHBondContact O-N 3.03Å; E17-R20 PolarHBondContact O-N 2.94Å; E17-K21 PolarHBondContact O-N 3.41Å |
| 18 | A | 83.5 | Confident | 78.4 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L13 L16 R22 | L13-A18 HydrophobicContact CB-CB 4.12Å; L13-A18 HydrophobicContact CD1-CB 4.29Å; L16-A18 PolarHBondContact O-N 3.44Å; A18-R22 PolarHBondContact O-N 3.5Å; A18-R22 VanDerWaalsContact O-N 3.17Å |
| 19 | V | 86.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.7 | -47.8 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | L16 E17 K21 R22 P23 Y26 L96 V120 A123 L124 | L16-V19 WeakPolarHBondContact O-CB 3.49Å; L16-V19 PolarHBondContact O-N 2.72Å; E17-V19 VanDerWaalsContact C-N 3.28Å; E17-V19 PolarHBondContact O-N 3.03Å; V19-K21 PolarHBondContact O-N 2.95Å; V19-R22 CarbonylContact O-C 3.51Å; V19-R22 PolarHBondContact O-N 3.01Å; V19-P23 VanDerWaalsContact O-CA 3.23Å; V19-P23 WeakPolarHBondContact O-CA 3.47Å; V19-P23 WeakPolarHBondContact O-CD 3.33Å; V19-Y26 HydrophobicContact CB-CD2 4.17Å; V19-Y26 HydrophobicContact CB-CE2 4.09Å; V19-Y26 HydrophobicContact CG1-CD2 3.85Å; V19-Y26 HydrophobicContact CG1-CE2 4.29Å; V19-Y26 HydrophobicContact CG1-CG 4.04Å; V19-Y26 HydrophobicContact CG2-CD1 4.31Å; V19-Y26 HydrophobicContact CG2-CD2 4.22Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 3.92Å; V19-Y26 HydrophobicContact CG2-CG 4.41Å; V19-L96 HydrophobicContact CG2-CD1 3.99Å; V19-L96 HydrophobicContact CG2-CD2 3.92Å; V19-L96 HydrophobicContact CG2-CG 4.45Å; V19-V120 HydrophobicContact CG1-CB 4.2Å; V19-V120 HydrophobicContact CG1-CG1 3.89Å; V19-V120 HydrophobicContact CG1-CG2 3.92Å; V19-V120 HydrophobicContact CG2-CG2 4.2Å; V19-A123 HydrophobicContact CB-CB 3.82Å; V19-A123 HydrophobicContact CG1-CB 3.82Å; V19-A123 HydrophobicContact CG2-CB 4.39Å; V19-L124 HydrophobicContact CG1-CD1 4.38Å; V19-L124 HydrophobicContact CG1-CD2 3.99Å; V19-L124 HydrophobicContact CG1-CG 4.05Å |
| 20 | R | 87 | Confident | 79 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66 | -35 | 179.9 | -69.9 | -176.8 | 67.6 | 89.8 | -2.6 | 113.5 | L16 E17 P23 A123 L124 G146 D172 I175 | L16-R20 PolarHBondContact O-N 3.19Å; E17-R20 PolarHBondContact O-N 2.94Å; R20-P23 WeakPolarHBondContact O-CD 3.23Å; R20-A123 WeakPolarHBondContact CD-O 3.27Å; R20-A123 HydrophobicContact CG-CB 4.33Å; R20-A123 WeakPolarHBondContact CG-O 3.46Å; R20-A123 PolarHBondContact NH1-O 2.93Å; R20-L124 HydrophobicContact CG-CD2 4.43Å; R20-G146 VanDerWaalsContact NH1-CA 3.33Å; R20-D172 IonicContact CZ-OD2 3.89Å; R20-D172 VanDerWaalsContact CZ-OD2 3.31Å; R20-D172 IonicContact NH1-OD2 2.8Å; R20-D172 PolarHBondContact NH1-OD2 2.99Å; R20-D172 IonicContact NH2-OD2 2.74Å; R20-D172 PolarHBondContact NH2-OD2 3.28Å; R20-I175 HydrophobicContact CG-CD1 4.28Å |
| 21 | K | 83.9 | Confident | 79.7 | Confident | 124 Ų | 124 | 71 Ų | 71 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.3 | -29.2 | 175.3 | -89.6 | -160.9 | -179.8 | -179.3 | 0 | 113.2 | L13 E17 V19 | L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 HydrophobicContact CD1-CD 3.93Å; L13-K21 HydrophobicContact CD2-CD 3.92Å; E17-K21 PolarHBondContact O-N 3.41Å; V19-K21 PolarHBondContact O-N 2.95Å |
| 22 | R | 83.3 | Confident | 80.1 | Confident | 176 Ų | 176 | 66.8 Ų | 66.8 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | trans | -136.4 | 61.7 | -177.1 | -64.3 | -165.1 | 178.6 | -153 | 0.4 | 111.9 | A18 V19 G24 M25 Y26 | A18-R22 PolarHBondContact O-N 3.5Å; A18-R22 VanDerWaalsContact O-N 3.17Å; V19-R22 CarbonylContact O-C 3.51Å; V19-R22 PolarHBondContact O-N 3.01Å; R22-G24 VanDerWaalsContact C-N 3.35Å; R22-G24 PolarHBondContact O-N 3.31Å; R22-M25 HydrophobicContact CB-CB 4.4Å; R22-M25 WeakPolarHBondContact O-CB 3.46Å; R22-M25 PolarHBondContact O-N 3.08Å; R22-M25 VanDerWaalsContact O-N 3.14Å; R22-Y26 WeakPolarHBondContact O-CD2 3.21Å | ||
| 23 | P | 83.6 | Confident | 80.4 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -43.5 | -174.8 | 22.4 | -34.9 | 0 | 0 | 0 | 112.4 | V19 R20 M25 Y26 I27 T30 L124 I175 | V19-P23 VanDerWaalsContact O-CA 3.23Å; V19-P23 WeakPolarHBondContact O-CA 3.47Å; V19-P23 WeakPolarHBondContact O-CD 3.33Å; R20-P23 WeakPolarHBondContact O-CD 3.23Å; P23-M25 PolarHBondContact O-N 2.85Å; P23-Y26 PolarHBondContact O-N 3.23Å; P23-I27 HydrophobicContact CB-CG1 4.48Å; P23-I27 VanDerWaalsContact O-CG1 3.28Å; P23-I27 WeakPolarHBondContact O-CG1 3.28Å; P23-I27 PolarHBondContact O-N 2.85Å; P23-T30 HydrophobicContact CB-CG2 3.76Å; P23-T30 HydrophobicContact CG-CG2 3.33Å; P23-L124 HydrophobicContact CB-CD1 4.08Å; P23-L124 HydrophobicContact CB-CD2 3.8Å; P23-I175 HydrophobicContact CB-CG2 4.03Å; P23-I175 HydrophobicContact CG-CG2 3.9Å |
| 24 | G | 76.3 | Confident | 80.9 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.5 | -22.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R22 Y26 G28 | R22-G24 VanDerWaalsContact C-N 3.35Å; R22-G24 PolarHBondContact O-N 3.31Å; G24-Y26 VanDerWaalsContact C-N 3.26Å; G24-Y26 PolarHBondContact O-N 2.86Å; G24-G28 CarbonylContact O-C 3.58Å; G24-G28 WeakPolarHBondContact O-CA 3.32Å; G24-G28 PolarHBondContact O-N 3.33Å |
| 25 | M | 75.8 | Confident | 81.7 | Confident | 126 Ų | 126 | 59.2 Ų | 59.2 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.9 | -26 | 174 | -169.6 | 174.1 | 69.9 | 0 | 0 | 112.6 | R22 P23 | R22-M25 HydrophobicContact CB-CB 4.4Å; R22-M25 WeakPolarHBondContact O-CB 3.46Å; R22-M25 PolarHBondContact O-N 3.08Å; R22-M25 VanDerWaalsContact O-N 3.14Å; P23-M25 PolarHBondContact O-N 2.85Å |
| 26 | Y | 79 | Confident | 82.4 | Confident | 63 Ų | 63 | 57 Ų | 57 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -102.8 | -36.4 | -176.2 | -62.2 | -90.5 | 0 | 0 | 0 | 112.7 | V19 R22 P23 G24 L96 V120 | V19-Y26 HydrophobicContact CB-CD2 4.17Å; V19-Y26 HydrophobicContact CB-CE2 4.09Å; V19-Y26 HydrophobicContact CG1-CD2 3.85Å; V19-Y26 HydrophobicContact CG1-CE2 4.29Å; V19-Y26 HydrophobicContact CG1-CG 4.04Å; V19-Y26 HydrophobicContact CG2-CD1 4.31Å; V19-Y26 HydrophobicContact CG2-CD2 4.22Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 3.92Å; V19-Y26 HydrophobicContact CG2-CG 4.41Å; R22-Y26 WeakPolarHBondContact O-CD2 3.21Å; P23-Y26 PolarHBondContact O-N 3.23Å; G24-Y26 VanDerWaalsContact C-N 3.26Å; G24-Y26 PolarHBondContact O-N 2.86Å; Y26-L96 HydrophobicContact CE1-CD1 4.45Å; Y26-V120 HydrophobicContact CD1-CG2 3.72Å; Y26-V120 HydrophobicContact CG-CG2 4Å |
| 27 | I | 79.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -117.2 | 6.2 | -175.1 | 60.4 | 159.3 | 0 | 0 | 0 | 114.1 | P23 S29 L38 V120 L124 F176 | P23-I27 HydrophobicContact CB-CG1 4.48Å; P23-I27 VanDerWaalsContact O-CG1 3.28Å; P23-I27 WeakPolarHBondContact O-CG1 3.28Å; P23-I27 PolarHBondContact O-N 2.85Å; I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 WeakPolarHBondContact CD1-O 3.34Å; I27-S29 VanDerWaalsContact CG1-O 3.28Å; I27-S29 WeakPolarHBondContact CG1-O 3.47Å; I27-S29 PolarHBondContact O-N 2.93Å; I27-S29 VanDerWaalsContact O-N 3.11Å; I27-L38 HydrophobicContact CD1-CD2 4.4Å; I27-L38 HydrophobicContact CG2-CD2 3.98Å; I27-V120 HydrophobicContact CG2-CG1 3.52Å; I27-L124 HydrophobicContact CD1-CD1 3.56Å; I27-L124 HydrophobicContact CG1-CD1 3.94Å; I27-L124 HydrophobicContact CG2-CD1 3.9Å; I27-F176 HydrophobicContact CD1-CE1 3.53Å; I27-F176 HydrophobicContact CD1-CZ 3.58Å |
| 28 | G | 75.7 | Confident | 82.9 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 84.9 | -52.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G24 | G24-G28 CarbonylContact O-C 3.58Å; G24-G28 WeakPolarHBondContact O-CA 3.32Å; G24-G28 PolarHBondContact O-N 3.33Å |
| 29 | S | 78.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 52 Ų | 52 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | trans | -147 | 173.2 | -177.4 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | I27 D31 G34 | I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 WeakPolarHBondContact CD1-O 3.34Å; I27-S29 VanDerWaalsContact CG1-O 3.28Å; I27-S29 WeakPolarHBondContact CG1-O 3.47Å; I27-S29 PolarHBondContact O-N 2.93Å; I27-S29 VanDerWaalsContact O-N 3.11Å; S29-D31 VanDerWaalsContact CB-OD1 3.29Å; S29-D31 WeakPolarHBondContact CB-OD1 3.36Å; S29-D31 PolarHBondContact OG-OD1 3.19Å; S29-G34 WeakPolarHBondContact O-CA 3.36Å; S29-G34 PolarHBondContact OG-N 2.94Å | ||
| 30 | T | 82.9 | Confident | 83.4 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -115.3 | 11.1 | 175.7 | 40.1 | 0 | 0 | 0 | 0 | 112.4 | P23 I175 F176 S177 | P23-T30 HydrophobicContact CB-CG2 3.76Å; P23-T30 HydrophobicContact CG-CG2 3.33Å; T30-I175 WeakPolarHBondContact CB-O 3.18Å; T30-I175 HydrophobicContact CG2-CG2 3.97Å; T30-F176 VanDerWaalsContact O-CA 3.31Å; T30-F176 WeakPolarHBondContact O-CA 3.28Å; T30-F176 WeakPolarHBondContact O-CD1 3.43Å; T30-S177 PolarHBondContact O-N 3.43Å |
| 31 | D | 82.1 | Confident | 83.5 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -88.9 | -167.6 | 172.8 | 60.6 | 18.1 | 0 | 0 | 0 | 111 | S29 R33 G34 L35 | S29-D31 VanDerWaalsContact CB-OD1 3.29Å; S29-D31 WeakPolarHBondContact CB-OD1 3.36Å; S29-D31 PolarHBondContact OG-OD1 3.19Å; D31-R33 PolarHBondContact O-N 3.45Å; D31-R33 WeakPolarHBondContact OD1-CB 3.37Å; D31-R33 PolarHBondContact OD1-N 2.97Å; D31-G34 PolarHBondContact O-N 3.06Å; D31-G34 VanDerWaalsContact O-N 3.09Å; D31-G34 PolarHBondContact OD1-N 2.92Å; D31-L35 PolarHBondContact O-N 3.06Å |
| 32 | S | 81 | Confident | 83.8 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -49.1 | -41.2 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | G34 L35 H36 | S32-G34 PolarHBondContact O-N 3.35Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 PolarHBondContact O-N 3.22Å; S32-H36 PolarHBondContact O-N 3.31Å; S32-H36 PolarHBondContact O-ND1 3.22Å; S32-H36 PolarHBondContact OG-CE1 2.98Å; S32-H36 VanDerWaalsContact OG-CE1 3.22Å; S32-H36 PolarHBondContact OG-ND1 3.35Å |
| 33 | R | 79.7 | Confident | 84.2 | Confident | 165 Ų | 165 | 38.4 Ų | 38.4 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.1 | -44.5 | -179.6 | 179.4 | -176.9 | 175.6 | 178.1 | -0.4 | 111.6 | D31 L35 H37 | D31-R33 PolarHBondContact O-N 3.45Å; D31-R33 WeakPolarHBondContact OD1-CB 3.37Å; D31-R33 PolarHBondContact OD1-N 2.97Å; R33-L35 VanDerWaalsContact C-N 3.35Å; R33-H37 WeakPolarHBondContact O-CB 3.2Å; R33-H37 PolarHBondContact O-N 2.71Å; R33-H37 VanDerWaalsContact O-N 3.13Å |
| 34 | G | 84 | Confident | 84.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S29 D31 S32 H37 L38 | S29-G34 WeakPolarHBondContact O-CA 3.36Å; S29-G34 PolarHBondContact OG-N 2.94Å; D31-G34 PolarHBondContact O-N 3.06Å; D31-G34 VanDerWaalsContact O-N 3.09Å; D31-G34 PolarHBondContact OD1-N 2.92Å; S32-G34 PolarHBondContact O-N 3.35Å; G34-H37 WeakPolarHBondContact O-CB 3.41Å; G34-H37 PolarHBondContact O-N 3.27Å; G34-L38 PolarHBondContact O-N 3.25Å |
| 35 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -51.5 | 177 | -173.7 | 75.3 | 0 | 0 | 0 | 111.3 | D31 S32 R33 H37 L38 P171 F176 L179 F181 | D31-L35 PolarHBondContact O-N 3.06Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 PolarHBondContact O-N 3.22Å; R33-L35 VanDerWaalsContact C-N 3.35Å; L35-H37 VanDerWaalsContact C-N 3.25Å; L35-H37 PolarHBondContact O-N 3.07Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-P171 HydrophobicContact CD1-CB 3.65Å; L35-P171 HydrophobicContact CD1-CG 3.64Å; L35-F176 HydrophobicContact CB-CD1 4.08Å; L35-F176 HydrophobicContact CB-CE1 4.31Å; L35-F176 HydrophobicContact CD1-CB 4.4Å; L35-F176 HydrophobicContact CD1-CD1 4.06Å; L35-F176 HydrophobicContact CD1-CD2 4.29Å; L35-F176 HydrophobicContact CD1-CE1 4.45Å; L35-F176 HydrophobicContact CD1-CG 3.98Å; L35-L179 HydrophobicContact CD1-CD2 4.36Å; L35-F181 HydrophobicContact CD1-CE1 4.27Å; L35-F181 HydrophobicContact CD1-CE2 4.47Å; L35-F181 HydrophobicContact CD1-CZ 3.94Å; L35-F181 HydrophobicContact CD2-CD1 4.09Å; L35-F181 HydrophobicContact CD2-CD2 4.45Å; L35-F181 HydrophobicContact CD2-CE1 4.04Å; L35-F181 HydrophobicContact CD2-CE2 4.38Å; L35-F181 HydrophobicContact CD2-CG 4.31Å; L35-F181 HydrophobicContact CD2-CZ 4.2Å; L35-F181 HydrophobicContact CG-CD1 4.12Å; L35-F181 HydrophobicContact CG-CE1 3.61Å; L35-F181 HydrophobicContact CG-CE2 4.39Å; L35-F181 HydrophobicContact CG-CZ 3.78Å |
| 36 | H | 90.5 | Very high | 85.5 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 177.7 | -69.4 | 87.8 | 0 | 0 | 0 | 112.4 | S32 L38 V39 Y40 S182 | S32-H36 PolarHBondContact O-N 3.31Å; S32-H36 PolarHBondContact O-ND1 3.22Å; S32-H36 PolarHBondContact OG-CE1 2.98Å; S32-H36 VanDerWaalsContact OG-CE1 3.22Å; S32-H36 PolarHBondContact OG-ND1 3.35Å; H36-L38 PolarHBondContact O-N 3.29Å; H36-V39 WeakPolarHBondContact O-CB 3.2Å; H36-V39 PolarHBondContact O-N 3.17Å; H36-Y40 HydrophobicContact CB-CE2 4.03Å; H36-Y40 PolarHBondContact O-N 3.44Å; H36-S182 PolarHBondContact CE1-N 3.39Å; H36-S182 WeakPolarHBondContact NE2-CB 3.48Å; H36-S182 PolarHBondContact NE2-N 2.92Å |
| 37 | H | 86.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 25% | 0.25 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -29.4 | 178.4 | -168.6 | 62.5 | 0 | 0 | 0 | 113 | R33 G34 L35 V39 Y40 E41 | R33-H37 WeakPolarHBondContact O-CB 3.2Å; R33-H37 PolarHBondContact O-N 2.71Å; R33-H37 VanDerWaalsContact O-N 3.13Å; G34-H37 WeakPolarHBondContact O-CB 3.41Å; G34-H37 PolarHBondContact O-N 3.27Å; L35-H37 VanDerWaalsContact C-N 3.25Å; L35-H37 PolarHBondContact O-N 3.07Å; H37-V39 VanDerWaalsContact C-N 3.32Å; H37-V39 PolarHBondContact O-N 2.67Å; H37-Y40 PolarHBondContact O-N 2.59Å; H37-E41 IonicContact CE1-OE1 3.25Å; H37-E41 IonicContact NE2-OE1 2.78Å; H37-E41 PolarHBondContact NE2-OE1 2.92Å; H37-E41 PolarHBondContact O-N 3.21Å |
| 38 | L | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 172.5 | -59.5 | -174.1 | 0 | 0 | 0 | 112.3 | I27 G34 L35 H36 Y40 E41 I42 V121 L124 F169 P171 F176 | I27-L38 HydrophobicContact CD1-CD2 4.4Å; I27-L38 HydrophobicContact CG2-CD2 3.98Å; G34-L38 PolarHBondContact O-N 3.25Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 3.21Å; H36-L38 PolarHBondContact O-N 3.29Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-E41 PolarHBondContact O-N 2.96Å; L38-I42 PolarHBondContact O-N 2.88Å; L38-V121 HydrophobicContact CB-CG1 4.41Å; L38-V121 HydrophobicContact CB-CG2 4.26Å; L38-V121 HydrophobicContact CD2-CG2 4.18Å; L38-V121 WeakPolarHBondContact O-CG2 3.37Å; L38-L124 HydrophobicContact CD2-CB 4.3Å; L38-L124 HydrophobicContact CD2-CD1 4.01Å; L38-F169 HydrophobicContact CB-CE2 3.82Å; L38-F169 HydrophobicContact CB-CZ 3.97Å; L38-F169 HydrophobicContact CD1-CE2 4.07Å; L38-P171 HydrophobicContact CD1-CB 4.07Å; L38-P171 HydrophobicContact CD1-CG 4.11Å; L38-F176 HydrophobicContact CD1-CE1 4.49Å; L38-F176 HydrophobicContact CD1-CE2 3.77Å; L38-F176 HydrophobicContact CD1-CZ 3.55Å; L38-F176 HydrophobicContact CD2-CZ 4.28Å; L38-F176 HydrophobicContact CG-CZ 4.02Å |
| 39 | V | 92.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 178 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | H36 H37 E41 I42 V43 V60 V68 V70 F169 F181 L186 | H36-V39 WeakPolarHBondContact O-CB 3.2Å; H36-V39 PolarHBondContact O-N 3.17Å; H37-V39 VanDerWaalsContact C-N 3.32Å; H37-V39 PolarHBondContact O-N 2.67Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.15Å; V39-I42 PolarHBondContact O-N 2.96Å; V39-V43 HydrophobicContact CG1-CG2 4.09Å; V39-V43 WeakPolarHBondContact O-CB 3.32Å; V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.35Å; V39-V43 PolarHBondContact O-N 3.38Å; V39-V60 HydrophobicContact CG1-CG1 4.15Å; V39-V68 HydrophobicContact CG1-CG1 4.13Å; V39-V68 HydrophobicContact CG2-CB 4.37Å; V39-V68 HydrophobicContact CG2-CG1 4.01Å; V39-V68 HydrophobicContact CG2-CG2 4.1Å; V39-V70 HydrophobicContact CG1-CG2 4.35Å; V39-F169 HydrophobicContact CG2-CZ 4.11Å; V39-F181 HydrophobicContact CG2-CD1 3.99Å; V39-F181 HydrophobicContact CG2-CE1 3.43Å; V39-F181 VanDerWaalsContact CG2-CE1 3.43Å; V39-F181 HydrophobicContact CG2-CZ 4.12Å; V39-L186 HydrophobicContact CB-CD2 4.11Å; V39-L186 HydrophobicContact CG1-CD2 4.01Å; V39-L186 HydrophobicContact CG2-CD2 4.36Å |
| 40 | Y | 89.2 | Confident | 87 | Confident | 38 Ų | 38 | 29.4 Ų | 29.4 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -41 | 179 | -54.8 | -26.8 | 0 | 0 | 0 | 112.4 | H36 H37 L38 I42 V43 D44 L186 R189 | H36-Y40 HydrophobicContact CB-CE2 4.03Å; H36-Y40 PolarHBondContact O-N 3.44Å; H37-Y40 PolarHBondContact O-N 2.59Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; Y40-I42 VanDerWaalsContact C-N 3.28Å; Y40-I42 PolarHBondContact O-N 3.15Å; Y40-V43 PolarHBondContact O-N 2.72Å; Y40-D44 VanDerWaalsContact O-CB 3.24Å; Y40-D44 WeakPolarHBondContact O-CB 3.35Å; Y40-D44 PolarHBondContact O-N 3.25Å; Y40-L186 HydrophobicContact CE1-CD2 3.71Å; Y40-R189 HydrophobicContact CD1-CG 3.89Å; Y40-R189 HydrophobicContact CE1-CB 3.76Å; Y40-R189 HydrophobicContact CE1-CG 3.44Å; Y40-R189 VanDerWaalsContact CE1-CG 3.44Å; Y40-R189 HydrophobicContact CE2-CG 4.29Å; Y40-R189 HydrophobicContact CG-CG 4.49Å |
| 41 | E | 88.1 | Confident | 86.8 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 18% | 0.178 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -32.5 | 178 | -74.2 | -67.7 | 154.2 | 0 | 0 | 113 | H37 L38 V39 N45 G117 V121 | H37-E41 IonicContact CE1-OE1 3.25Å; H37-E41 IonicContact NE2-OE1 2.78Å; H37-E41 PolarHBondContact NE2-OE1 2.92Å; H37-E41 PolarHBondContact O-N 3.21Å; L38-E41 PolarHBondContact O-N 2.96Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.15Å; E41-N45 PolarHBondContact O-ND2 2.92Å; E41-G117 WeakPolarHBondContact OE2-CA 3.4Å; E41-V121 HydrophobicContact CB-CG2 3.83Å |
| 42 | I | 91.9 | Very high | 86.8 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.2 | -44.6 | 174.6 | -58.3 | -52.8 | 0 | 0 | 0 | 111.2 | L38 V39 Y40 D44 N45 A46 V70 V121 V167 F169 | L38-I42 PolarHBondContact O-N 2.88Å; V39-I42 PolarHBondContact O-N 2.96Å; Y40-I42 VanDerWaalsContact C-N 3.28Å; Y40-I42 PolarHBondContact O-N 3.15Å; I42-D44 VanDerWaalsContact C-N 3.28Å; I42-D44 PolarHBondContact O-N 3.37Å; I42-N45 WeakPolarHBondContact O-CB 3.32Å; I42-N45 PolarHBondContact O-N 3.29Å; I42-N45 VanDerWaalsContact O-N 3.13Å; I42-A46 PolarHBondContact O-N 3.13Å; I42-V70 HydrophobicContact CB-CB 4.42Å; I42-V70 HydrophobicContact CB-CG2 4.23Å; I42-V70 HydrophobicContact CG2-CB 3.57Å; I42-V70 HydrophobicContact CG2-CG1 3.89Å; I42-V70 HydrophobicContact CG2-CG2 3.9Å; I42-V121 HydrophobicContact CD1-CB 3.91Å; I42-V121 HydrophobicContact CD1-CG1 3.96Å; I42-V121 HydrophobicContact CD1-CG2 3.84Å; I42-V121 HydrophobicContact CG1-CB 4.31Å; I42-V121 HydrophobicContact CG1-CG1 3.94Å; I42-V121 HydrophobicContact CG1-CG2 4.03Å; I42-V167 HydrophobicContact CD1-CG1 4.15Å; I42-V167 HydrophobicContact CG1-CG1 4.32Å; I42-V167 HydrophobicContact CG2-CB 3.77Å; I42-V167 HydrophobicContact CG2-CG1 4.15Å; I42-V167 HydrophobicContact CG2-CG2 4.07Å; I42-F169 HydrophobicContact CG1-CD1 4.46Å; I42-F169 HydrophobicContact CG1-CE1 4Å |
| 43 | V | 91.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | V39 Y40 N45 A46 V47 V60 V70 L190 | V39-V43 HydrophobicContact CG1-CG2 4.09Å; V39-V43 WeakPolarHBondContact O-CB 3.32Å; V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.35Å; V39-V43 PolarHBondContact O-N 3.38Å; Y40-V43 PolarHBondContact O-N 2.72Å; V43-N45 PolarHBondContact O-N 2.89Å; V43-A46 CarbonylContact O-C 3.52Å; V43-A46 WeakPolarHBondContact O-CA 3.36Å; V43-A46 WeakPolarHBondContact O-CB 3.41Å; V43-A46 PolarHBondContact O-N 3.15Å; V43-V47 HydrophobicContact CG1-CG2 4.02Å; V43-V47 WeakPolarHBondContact O-CG2 3.36Å; V43-V47 PolarHBondContact O-N 3.38Å; V43-V60 HydrophobicContact CG2-CG2 3.85Å; V43-V70 HydrophobicContact CG2-CG1 3.85Å; V43-V70 HydrophobicContact CG2-CG2 4.05Å; V43-L190 HydrophobicContact CG1-CD2 3.87Å; V43-L190 HydrophobicContact CG2-CD2 4.1Å |
| 44 | D | 86.7 | Confident | 87 | Confident | 41 Ų | 41 | 24.8 Ų | 24.8 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -31.9 | 178.1 | -80.3 | -7.3 | 0 | 0 | 0 | 112 | Y40 I42 V47 D48 | Y40-D44 VanDerWaalsContact O-CB 3.24Å; Y40-D44 WeakPolarHBondContact O-CB 3.35Å; Y40-D44 PolarHBondContact O-N 3.25Å; I42-D44 VanDerWaalsContact C-N 3.28Å; I42-D44 PolarHBondContact O-N 3.37Å; D44-V47 PolarHBondContact O-N 3.24Å; D44-D48 WeakPolarHBondContact O-CB 3.49Å; D44-D48 PolarHBondContact O-N 3.46Å |
| 45 | N | 86 | Confident | 87 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.9 | -39.6 | 172.8 | -62.8 | -49.1 | 0 | 0 | 0 | 112 | E41 I42 V43 V47 D48 E49 | E41-N45 PolarHBondContact O-ND2 2.92Å; I42-N45 WeakPolarHBondContact O-CB 3.32Å; I42-N45 PolarHBondContact O-N 3.29Å; I42-N45 VanDerWaalsContact O-N 3.13Å; V43-N45 PolarHBondContact O-N 2.89Å; N45-V47 VanDerWaalsContact C-N 3.33Å; N45-D48 PolarHBondContact O-N 2.84Å; N45-E49 PolarHBondContact O-N 3.5Å |
| 46 | A | 89.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | I42 V43 E49 A50 I58 D72 | I42-A46 PolarHBondContact O-N 3.13Å; V43-A46 CarbonylContact O-C 3.52Å; V43-A46 WeakPolarHBondContact O-CA 3.36Å; V43-A46 WeakPolarHBondContact O-CB 3.41Å; V43-A46 PolarHBondContact O-N 3.15Å; A46-E49 PolarHBondContact O-N 3.21Å; A46-A50 PolarHBondContact O-N 3.44Å; A46-A50 VanDerWaalsContact O-N 3.12Å; A46-I58 HydrophobicContact CB-CD1 3.83Å; A46-I58 HydrophobicContact CB-CG1 4Å; A46-I58 HydrophobicContact CB-CG2 4.01Å; A46-D72 HydrophobicContact CB-CB 3.63Å |
| 47 | V | 87.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.4 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | V43 D44 N45 E49 A50 L51 I58 L197 N272 | V43-V47 HydrophobicContact CG1-CG2 4.02Å; V43-V47 WeakPolarHBondContact O-CG2 3.36Å; V43-V47 PolarHBondContact O-N 3.38Å; D44-V47 PolarHBondContact O-N 3.24Å; N45-V47 VanDerWaalsContact C-N 3.33Å; V47-E49 VanDerWaalsContact C-N 3.31Å; V47-E49 PolarHBondContact O-N 3Å; V47-A50 PolarHBondContact O-N 2.87Å; V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 HydrophobicContact CG1-CG 4.23Å; V47-L51 WeakPolarHBondContact O-CB 3.02Å; V47-L51 WeakPolarHBondContact O-CG 3.44Å; V47-L51 PolarHBondContact O-N 3.42Å; V47-I58 HydrophobicContact CG2-CD1 3.85Å; V47-L197 HydrophobicContact CB-CD1 4.15Å; V47-L197 HydrophobicContact CG1-CD1 3.73Å; V47-L197 HydrophobicContact CG1-CD2 4.1Å; V47-L197 HydrophobicContact CG1-CG 4.38Å; V47-L197 HydrophobicContact CG2-CD1 3.65Å; V47-N272 WeakPolarHBondContact CG1-ND2 3.28Å |
| 48 | D | 83.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -35.7 | 177 | -82.9 | -18.7 | 0 | 0 | 0 | 112 | D44 N45 S52 K101 Y107 S110 G111 | D44-D48 WeakPolarHBondContact O-CB 3.49Å; D44-D48 PolarHBondContact O-N 3.46Å; N45-D48 PolarHBondContact O-N 2.84Å; D48-S52 WeakPolarHBondContact O-CB 3.4Å; D48-S52 PolarHBondContact O-N 2.97Å; D48-S52 VanDerWaalsContact O-N 3.12Å; D48-S52 PolarHBondContact O-OG 3.36Å; D48-K101 WeakPolarHBondContact OD2-CE 3.47Å; D48-K101 IonicContact OD2-NZ 2.99Å; D48-K101 PolarHBondContact OD2-NZ 3.44Å; D48-Y107 HydrophobicContact CB-CD1 4.4Å; D48-Y107 HydrophobicContact CB-CE1 4.01Å; D48-S110 WeakPolarHBondContact OD1-CB 3.25Å; D48-G111 PolarHBondContact OD1-N 3.08Å |
| 49 | E | 86.9 | Confident | 87.9 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 171 | -78 | -68.5 | 117.7 | 0 | 0 | 110.9 | N45 A46 V47 L51 S52 G53 Y54 R75 Y107 | N45-E49 PolarHBondContact O-N 3.5Å; A46-E49 PolarHBondContact O-N 3.21Å; V47-E49 VanDerWaalsContact C-N 3.31Å; V47-E49 PolarHBondContact O-N 3Å; E49-L51 PolarHBondContact O-N 3.12Å; E49-S52 CarbonylContact O-C 3.55Å; E49-S52 WeakPolarHBondContact O-CA 3.49Å; E49-S52 WeakPolarHBondContact O-CB 3.34Å; E49-S52 PolarHBondContact O-N 2.88Å; E49-G53 PolarHBondContact O-N 3.45Å; E49-Y54 CarbonylContact C-O 3.56Å; E49-Y54 PolarHBondContact O-N 3.38Å; E49-R75 IonicContact OE1-CZ 2.64Å; E49-R75 IonicContact OE1-NE 2.74Å; E49-R75 PolarHBondContact OE1-NE 3.49Å; E49-R75 IonicContact OE1-NH2 3.13Å; E49-R75 PolarHBondContact OE1-NH2 3.29Å; E49-R75 WeakPolarHBondContact OE2-CB 3.34Å; E49-R75 WeakPolarHBondContact OE2-CG 3.25Å; E49-R75 IonicContact OE2-CZ 3.25Å; E49-R75 PolarHBondContact OE2-N 3.46Å; E49-R75 IonicContact OE2-NE 2.72Å; E49-R75 PolarHBondContact OE2-NE 3.46Å; E49-R75 IonicContact OE2-NH2 3.08Å; E49-Y107 PolarHBondContact OE1-OH 3.32Å |
| 50 | A | 85.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A46 V47 S52 G53 Y54 V200 | A46-A50 PolarHBondContact O-N 3.44Å; A46-A50 VanDerWaalsContact O-N 3.12Å; V47-A50 PolarHBondContact O-N 2.87Å; A50-S52 PolarHBondContact O-N 2.91Å; A50-G53 WeakPolarHBondContact O-CA 3.4Å; A50-G53 PolarHBondContact O-N 2.88Å; A50-Y54 WeakPolarHBondContact CA-O 3.36Å; A50-Y54 PolarHBondContact N-O 2.8Å; A50-V200 HydrophobicContact CB-CG1 4.44Å; A50-V200 HydrophobicContact CB-CG2 4Å |
| 51 | L | 80.4 | Confident | 88.5 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | 173.9 | -77.5 | 175.8 | 0 | 0 | 0 | 112.6 | V47 E49 G53 L197 | V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 HydrophobicContact CG1-CG 4.23Å; V47-L51 WeakPolarHBondContact O-CB 3.02Å; V47-L51 WeakPolarHBondContact O-CG 3.44Å; V47-L51 PolarHBondContact O-N 3.42Å; E49-L51 PolarHBondContact O-N 3.12Å; L51-G53 PolarHBondContact O-N 2.84Å; L51-L197 HydrophobicContact CD2-CD2 3.51Å; L51-L197 HydrophobicContact CG-CD2 3.76Å |
| 52 | S | 80.3 | Confident | 88.8 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.4 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | D48 E49 A50 Y54 Y107 | D48-S52 WeakPolarHBondContact O-CB 3.4Å; D48-S52 PolarHBondContact O-N 2.97Å; D48-S52 VanDerWaalsContact O-N 3.12Å; D48-S52 PolarHBondContact O-OG 3.36Å; E49-S52 CarbonylContact O-C 3.55Å; E49-S52 WeakPolarHBondContact O-CA 3.49Å; E49-S52 WeakPolarHBondContact O-CB 3.34Å; E49-S52 PolarHBondContact O-N 2.88Å; A50-S52 PolarHBondContact O-N 2.91Å; S52-Y54 WeakPolarHBondContact O-CD2 3.46Å; S52-Y54 WeakPolarHBondContact O-CE2 3.29Å; S52-Y107 WeakPolarHBondContact OG-CD1 3.36Å |
| 53 | G | 81.1 | Confident | 89 | Confident | 66 Ų | 66 | 31.4 Ų | 31.4 | 68% | 0.68 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 15.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | E49 A50 L51 | E49-G53 PolarHBondContact O-N 3.45Å; A50-G53 WeakPolarHBondContact O-CA 3.4Å; A50-G53 PolarHBondContact O-N 2.88Å; L51-G53 PolarHBondContact O-N 2.84Å |
| 54 | Y | 84.9 | Confident | 88.9 | Confident | 112 Ų | 112 | 35.8 Ų | 35.8 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | trans | -116 | 116.8 | -179.9 | -60.6 | -78.6 | 0 | 0 | 0 | 110.9 | E49 A50 S52 R75 | E49-Y54 CarbonylContact C-O 3.56Å; E49-Y54 PolarHBondContact O-N 3.38Å; A50-Y54 WeakPolarHBondContact CA-O 3.36Å; A50-Y54 PolarHBondContact N-O 2.8Å; S52-Y54 WeakPolarHBondContact O-CD2 3.46Å; S52-Y54 WeakPolarHBondContact O-CE2 3.29Å; Y54-R75 HydrophobicContact CD1-CG 3.43Å; Y54-R75 VanDerWaalsContact CD1-CG 3.43Å; Y54-R75 HydrophobicContact CD2-CG 4.12Å; Y54-R75 HydrophobicContact CE1-CG 3.99Å; Y54-R75 HydrophobicContact CG-CG 3.5Å; Y54-R75 VanDerWaalsContact CG-CG 3.5Å | ||
| 55 | G | 84.6 | Confident | 89.2 | Confident | 28 Ų | 28 | 37.9 Ų | 37.9 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | trans | 81 | 144.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K73 | G55-K73 WeakPolarHBondContact CA-O 3.44Š| ||
| 56 | N | 90 | Very high | 89.4 | Confident | 90 Ų | 90 | 37 Ų | 37 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -135.2 | 10.1 | -179 | 65.6 | -30.2 | 0 | 0 | 0 | 112.1 | V200 K201 | N56-V200 WeakPolarHBondContact O-CA 3.5Å; N56-K201 PolarHBondContact O-N 2.91Å |
| 57 | E | 93.5 | Very high | 89.7 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.6 | 179.5 | -60 | -175.2 | -127.5 | 0 | 0 | 110 | K73 K201 | E57-K73 HydrophobicContact CB-CD 3.87Å; E57-K73 HydrophobicContact CB-CG 4.16Å; E57-K73 HydrophobicContact CG-CD 4.23Å; E57-K73 PolarHBondContact O-N 2.81Å; E57-K73 IonicContact OE1-NZ 3.06Å; E57-K73 PolarHBondContact OE1-NZ 3.41Å; E57-K73 IonicContact OE2-NZ 2.8Å; E57-K73 PolarHBondContact OE2-NZ 2.76Å; E57-K201 CarbonylContact C-O 3.59Å; E57-K201 VanDerWaalsContact CA-O 3.26Å; E57-K201 WeakPolarHBondContact CA-O 3.49Å; E57-K201 HydrophobicContact CG-CB 4.23Å; E57-K201 HydrophobicContact CG-CD 4.46Å |
| 58 | I | 95.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.8 | 174.4 | -53.6 | 175.9 | 0 | 0 | 0 | 107.5 | A46 V47 V70 S71 V200 K201 I202 T203 | A46-I58 HydrophobicContact CB-CD1 3.83Å; A46-I58 HydrophobicContact CB-CG1 4Å; A46-I58 HydrophobicContact CB-CG2 4.01Å; V47-I58 HydrophobicContact CG2-CD1 3.85Å; I58-V70 HydrophobicContact CG2-CG1 4.39Å; I58-S71 CarbonylContact C-O 3.58Å; I58-S71 WeakPolarHBondContact CA-O 3.37Å; I58-V200 HydrophobicContact CD1-CG1 4.29Å; I58-V200 HydrophobicContact CG1-CG1 4.34Å; I58-K201 PolarHBondContact N-O 3.08Å; I58-I202 HydrophobicContact CB-CG1 4.3Å; I58-I202 HydrophobicContact CB-CG2 4.49Å; I58-I202 HydrophobicContact CD1-CD1 4.42Å; I58-I202 HydrophobicContact CD1-CG1 4.48Å; I58-I202 CarbonylContact O-C 3.56Å; I58-I202 VanDerWaalsContact O-CA 3.29Å; I58-I202 WeakPolarHBondContact O-CA 3.43Å; I58-T203 PolarHBondContact O-N 3.06Å |
| 59 | E | 96.3 | Very high | 90.7 | Very high | 67 Ų | 67 | 39 Ų | 39 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.5 | 178.6 | -63.9 | 179.8 | -178.5 | 0 | 0 | 109.2 | V70 S71 T203 | E59-V70 CarbonylContact O-C 3.59Å; E59-V70 WeakPolarHBondContact O-CA 3.47Å; E59-S71 PolarHBondContact N-O 2.86Å; E59-S71 PolarHBondContact O-N 3.19Å; E59-T203 WeakPolarHBondContact CA-O 3.41Å |
| 60 | V | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.6 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V39 V43 V68 E69 V70 L190 T203 L204 M205 | V39-V60 HydrophobicContact CG1-CG1 4.15Å; V43-V60 HydrophobicContact CG2-CG2 3.85Å; V60-V68 HydrophobicContact CG1-CG1 4.1Å; V60-E69 CarbonylContact C-O 3.51Å; V60-E69 WeakPolarHBondContact CA-O 3.18Å; V60-V70 HydrophobicContact CG1-CG2 4.43Å; V60-V70 HydrophobicContact CG2-CG1 4.4Å; V60-V70 HydrophobicContact CG2-CG2 4.34Å; V60-L190 HydrophobicContact CB-CD1 3.97Å; V60-L190 HydrophobicContact CG1-CD1 4.32Å; V60-L190 HydrophobicContact CG2-CD1 3.84Å; V60-L190 HydrophobicContact CG2-CD2 4.12Å; V60-T203 PolarHBondContact N-O 3.4Å; V60-L204 HydrophobicContact CB-CD1 3.97Å; V60-L204 HydrophobicContact CG1-CD1 3.85Å; V60-L204 CarbonylContact O-C 3.52Å; V60-L204 WeakPolarHBondContact O-CA 3.36Å; V60-M205 PolarHBondContact O-N 2.89Å |
| 61 | T | 96.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | -175.9 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | V68 E69 M205 L207 | T61-V68 WeakPolarHBondContact O-CA 3.36Å; T61-E69 PolarHBondContact N-O 3.18Å; T61-E69 PolarHBondContact O-N 3.33Å; T61-M205 WeakPolarHBondContact CA-O 3.49Å; T61-M205 HydrophobicContact CG2-CB 4.34Å; T61-M205 WeakPolarHBondContact OG1-CE 3.33Å; T61-L207 HydrophobicContact CG2-CD1 3.59Å; T61-L207 HydrophobicContact CG2-CG 4.01Å |
| 62 | L | 95.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122 | 169.5 | -55.7 | 179.9 | 0 | 0 | 0 | 109.5 | V68 F181 Y183 L186 M205 L207 | L62-V68 HydrophobicContact CD2-CB 4.49Å; L62-V68 HydrophobicContact CD2-CG1 4.21Å; L62-V68 HydrophobicContact CD2-CG2 3.68Å; L62-F181 HydrophobicContact CD1-CB 4.14Å; L62-F181 HydrophobicContact CD2-CB 3.96Å; L62-F181 HydrophobicContact CD2-CD2 4.35Å; L62-F181 HydrophobicContact CD2-CG 4.12Å; L62-Y183 HydrophobicContact CD1-CD2 4.49Å; L62-L186 HydrophobicContact CD1-CD1 4.01Å; L62-L186 HydrophobicContact CD2-CD1 3.69Å; L62-L186 HydrophobicContact CG-CD1 4.28Å; L62-M205 PolarHBondContact N-O 3.42Å; L62-L207 WeakPolarHBondContact O-CB 3.08Å; L62-L207 PolarHBondContact O-N 3.1Å |
| 63 | H | 95.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | trans | -96.4 | 158.6 | -176.9 | -69.5 | -94.7 | 0 | 0 | 0 | 112.6 | D65 N66 S67 H168 R208 | H63-D65 WeakPolarHBondContact CB-OD1 3.44Å; H63-D65 PolarHBondContact O-N 2.89Å; H63-D65 VanDerWaalsContact O-N 3.1Å; H63-N66 WeakPolarHBondContact O-CA 3.29Å; H63-N66 PolarHBondContact O-N 3.28Å; H63-S67 WeakPolarHBondContact CB-OG 3.23Å; H63-S67 PolarHBondContact N-O 3.07Å; H63-H168 AromaticContact CD2-NE2 3.59Å; H63-H168 AromaticContact NE2-NE2 3.78Å; H63-R208 WeakPolarHBondContact O-CG 3.29Å | ||
| 64 | P | 90.4 | Very high | 93.3 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 62% | 0.617 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.6 | 178.8 | -27.3 | 35.1 | 0 | 0 | 0 | 115.8 | N66 | P64-N66 VanDerWaalsContact C-N 3.26Š|
| 65 | D | 91.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.6 | 177.5 | 65.6 | -17.4 | 0 | 0 | 0 | 113 | H63 S67 L170 | H63-D65 WeakPolarHBondContact CB-OD1 3.44Å; H63-D65 PolarHBondContact O-N 2.89Å; H63-D65 VanDerWaalsContact O-N 3.1Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.23Å; D65-S67 PolarHBondContact OD2-OG 2.98Å; D65-L170 VanDerWaalsContact O-CD1 3.32Å; D65-L170 WeakPolarHBondContact O-CD1 3.39Å |
| 66 | N | 90.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 60.7 | 19.9 | -171 | -72.6 | -38.1 | 0 | 0 | 0 | 114.1 | H63 P64 L179 N180 F181 R208 | H63-N66 WeakPolarHBondContact O-CA 3.29Å; H63-N66 PolarHBondContact O-N 3.28Å; P64-N66 VanDerWaalsContact C-N 3.26Å; N66-L179 HydrophobicContact CB-CB 4.35Å; N66-L179 WeakPolarHBondContact CB-O 3.42Å; N66-N180 PolarHBondContact ND2-OD1 3.39Å; N66-F181 VanDerWaalsContact O-CE2 3.29Å; N66-F181 WeakPolarHBondContact O-CE2 3.5Å; N66-R208 VanDerWaalsContact OD1-CD 3.32Å; N66-R208 WeakPolarHBondContact OD1-CD 3.43Å; N66-R208 PolarHBondContact OD1-NH1 3.27Å |
| 67 | S | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | trans | -78.9 | 155.7 | 166.2 | 68 | 0 | 0 | 0 | 0 | 111.5 | H63 D65 H168 F169 | H63-S67 WeakPolarHBondContact CB-OG 3.23Å; H63-S67 PolarHBondContact N-O 3.07Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 3.23Å; D65-S67 PolarHBondContact OD2-OG 2.98Å; S67-H168 PolarHBondContact OG-NE2 2.87Å; S67-F169 WeakPolarHBondContact CA-O 3.45Å; S67-F169 WeakPolarHBondContact CB-O 3.46Å | ||
| 68 | V | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.7 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | V39 V60 T61 L62 V70 H168 F169 F181 | V39-V68 HydrophobicContact CG1-CG1 4.13Å; V39-V68 HydrophobicContact CG2-CB 4.37Å; V39-V68 HydrophobicContact CG2-CG1 4.01Å; V39-V68 HydrophobicContact CG2-CG2 4.1Å; V60-V68 HydrophobicContact CG1-CG1 4.1Å; T61-V68 WeakPolarHBondContact O-CA 3.36Å; L62-V68 HydrophobicContact CD2-CB 4.49Å; L62-V68 HydrophobicContact CD2-CG1 4.21Å; L62-V68 HydrophobicContact CD2-CG2 3.68Å; V68-V70 HydrophobicContact CG1-CG2 4.28Å; V68-H168 WeakPolarHBondContact O-CA 3.48Å; V68-H168 PolarHBondContact O-CD2 2.9Å; V68-F169 HydrophobicContact CB-CE1 4.08Å; V68-F169 HydrophobicContact CB-CZ 4.16Å; V68-F169 HydrophobicContact CG1-CE1 4.45Å; V68-F169 PolarHBondContact N-O 2.91Å; V68-F169 WeakPolarHBondContact O-CD1 3.26Å; V68-F169 PolarHBondContact O-N 3.24Å; V68-F181 HydrophobicContact CG2-CD1 4.27Å; V68-F181 HydrophobicContact CG2-CD2 3.64Å; V68-F181 HydrophobicContact CG2-CE1 3.94Å; V68-F181 HydrophobicContact CG2-CE2 3.27Å; V68-F181 HydrophobicContact CG2-CG 4.12Å; V68-F181 HydrophobicContact CG2-CZ 3.42Å; V68-F181 VanDerWaalsContact CG2-CZ 3.42Å |
| 69 | E | 97.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.5 | 172.4 | -173.9 | -179.7 | 93.9 | 0 | 0 | 109.8 | V60 T61 T166 V167 H168 | V60-E69 CarbonylContact C-O 3.51Å; V60-E69 WeakPolarHBondContact CA-O 3.18Å; T61-E69 PolarHBondContact N-O 3.18Å; T61-E69 PolarHBondContact O-N 3.33Å; E69-T166 HydrophobicContact CG-CG2 3.59Å; E69-V167 CarbonylContact C-O 3.57Å; E69-V167 WeakPolarHBondContact CA-O 3.44Å; E69-H168 HydrophobicContact CB-CB 4.3Å; E69-H168 HydrophobicContact CG-CB 4.18Å |
| 70 | V | 97 | Very high | 93 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.1 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | V39 I42 V43 I58 E59 V60 V68 T166 V167 | V39-V70 HydrophobicContact CG1-CG2 4.35Å; I42-V70 HydrophobicContact CB-CB 4.42Å; I42-V70 HydrophobicContact CB-CG2 4.23Å; I42-V70 HydrophobicContact CG2-CB 3.57Å; I42-V70 HydrophobicContact CG2-CG1 3.89Å; I42-V70 HydrophobicContact CG2-CG2 3.9Å; V43-V70 HydrophobicContact CG2-CG1 3.85Å; V43-V70 HydrophobicContact CG2-CG2 4.05Å; I58-V70 HydrophobicContact CG2-CG1 4.39Å; E59-V70 CarbonylContact O-C 3.59Å; E59-V70 WeakPolarHBondContact O-CA 3.47Å; V60-V70 HydrophobicContact CG1-CG2 4.43Å; V60-V70 HydrophobicContact CG2-CG1 4.4Å; V60-V70 HydrophobicContact CG2-CG2 4.34Å; V68-V70 HydrophobicContact CG1-CG2 4.28Å; V70-T166 WeakPolarHBondContact O-CA 3.39Å; V70-V167 PolarHBondContact N-O 3.47Å; V70-V167 PolarHBondContact O-N 2.88Å |
| 71 | S | 95.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.5 | -179.9 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | I58 E59 T165 T166 | I58-S71 CarbonylContact C-O 3.58Å; I58-S71 WeakPolarHBondContact CA-O 3.37Å; E59-S71 PolarHBondContact N-O 2.86Å; E59-S71 PolarHBondContact O-N 3.19Å; S71-T165 WeakPolarHBondContact CA-O 3.44Å; S71-T166 PolarHBondContact OG-OG1 3.24Å |
| 72 | D | 94.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 42 Ų | 42 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 159.7 | 174.3 | 76.3 | -98.4 | 0 | 0 | 0 | 112.1 | A46 G74 G164 T165 | A46-D72 HydrophobicContact CB-CB 3.63Å; D72-G74 VanDerWaalsContact OD2-CA 3.25Å; D72-G74 WeakPolarHBondContact OD2-CA 3.32Å; D72-G74 PolarHBondContact OD2-N 3.43Å; D72-G164 VanDerWaalsContact O-CA 3.25Å; D72-G164 WeakPolarHBondContact O-CA 3.45Å; D72-T165 PolarHBondContact N-O 3.38Å; D72-T165 WeakPolarHBondContact OD1-CA 3.21Å; D72-T165 WeakPolarHBondContact OD1-CB 3.38Å; D72-T165 PolarHBondContact OD1-N 2.63Å; D72-T165 VanDerWaalsContact OD1-N 3.17Å; D72-T165 VanDerWaalsContact OD1-O 3.09Å; D72-T165 PolarHBondContact OD2-N 2.85Å |
| 73 | K | 92.3 | Very high | 91.6 | Very high | 71 Ų | 71 | 47 Ų | 47 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | trans | -106.6 | 34.5 | 171.2 | -62.5 | -170.7 | -173.7 | 168.2 | 0 | 113.2 | G55 E57 P162 N163 | G55-K73 WeakPolarHBondContact CA-O 3.44Å; E57-K73 HydrophobicContact CB-CD 3.87Å; E57-K73 HydrophobicContact CB-CG 4.16Å; E57-K73 HydrophobicContact CG-CD 4.23Å; E57-K73 PolarHBondContact O-N 2.81Å; E57-K73 IonicContact OE1-NZ 3.06Å; E57-K73 PolarHBondContact OE1-NZ 3.41Å; E57-K73 IonicContact OE2-NZ 2.8Å; E57-K73 PolarHBondContact OE2-NZ 2.76Å; K73-P162 HydrophobicContact CD-CG 4.43Å; K73-N163 CarbonylContact C-O 3.58Å; K73-N163 WeakPolarHBondContact CA-O 3.3Å | ||
| 74 | G | 90.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -79.7 | -151.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D72 G76 N163 | D72-G74 VanDerWaalsContact OD2-CA 3.25Å; D72-G74 WeakPolarHBondContact OD2-CA 3.32Å; D72-G74 PolarHBondContact OD2-N 3.43Å; G74-G76 VanDerWaalsContact C-N 3.31Å; G74-G76 PolarHBondContact O-N 2.79Å; G74-N163 CarbonylContact O-C 3.58Å; G74-N163 VanDerWaalsContact O-C 3.27Å; G74-N163 WeakPolarHBondContact O-CB 3.14Å |
| 75 | R | 91.2 | Very high | 90.6 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -75.5 | -20.7 | -178.8 | -65.9 | 171.2 | -70 | -171.5 | 2 | 113.6 | E49 Y54 | E49-R75 IonicContact OE1-CZ 2.64Å; E49-R75 IonicContact OE1-NE 2.74Å; E49-R75 PolarHBondContact OE1-NE 3.49Å; E49-R75 IonicContact OE1-NH2 3.13Å; E49-R75 PolarHBondContact OE1-NH2 3.29Å; E49-R75 WeakPolarHBondContact OE2-CB 3.34Å; E49-R75 WeakPolarHBondContact OE2-CG 3.25Å; E49-R75 IonicContact OE2-CZ 3.25Å; E49-R75 PolarHBondContact OE2-N 3.46Å; E49-R75 IonicContact OE2-NE 2.72Å; E49-R75 PolarHBondContact OE2-NE 3.46Å; E49-R75 IonicContact OE2-NH2 3.08Å; Y54-R75 HydrophobicContact CD1-CG 3.43Å; Y54-R75 VanDerWaalsContact CD1-CG 3.43Å; Y54-R75 HydrophobicContact CD2-CG 4.12Å; Y54-R75 HydrophobicContact CE1-CG 3.99Å; Y54-R75 HydrophobicContact CG-CG 3.5Å; Y54-R75 VanDerWaalsContact CG-CG 3.5Å |
| 76 | G | 89.3 | Confident | 90.5 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | trans | 75 | 141.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112 | G74 R134 | G74-G76 VanDerWaalsContact C-N 3.31Å; G74-G76 PolarHBondContact O-N 2.79Å; G76-R134 PolarHBondContact O-NH1 3.13Å | ||
| 77 | M | 90.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 15% | 0.148 | 27% | 0.267 | C | S | . | . | trans | -57.2 | 152.4 | -179.9 | -67.1 | 179.8 | 179.5 | 0 | 0 | 112.7 | V79 I92 F93 I132 R134 T165 | M77-V79 PolarHBondContact O-N 2.85Å; M77-I92 HydrophobicContact CB-CD1 4.44Å; M77-I92 HydrophobicContact CE-CG2 4.36Å; M77-I92 HydrophobicContact CG-CD1 4.4Å; M77-I92 HydrophobicContact SD-CD1 4.05Å; M77-I92 HydrophobicContact SD-CG2 4.37Å; M77-F93 HydrophobicContact CE-CE2 3.83Å; M77-F93 HydrophobicContact CE-CZ 3.97Å; M77-F93 HydrophobicContact SD-CE2 3.71Å; M77-F93 HydrophobicContact SD-CZ 4.42Å; M77-I132 HydrophobicContact CB-CD1 3.83Å; M77-I132 HydrophobicContact CB-CG1 4.21Å; M77-I132 HydrophobicContact SD-CD1 4.5Å; M77-R134 WeakPolarHBondContact O-CD 3.26Å; M77-T165 HydrophobicContact CE-CG2 4.03Å; M77-T165 HydrophobicContact CG-CG2 4.21Å; M77-T165 PolarHBondContact N-OG1 3.45Å; M77-T165 HydrophobicContact SD-CG2 4.15Å | ||
| 78 | P | 89.1 | Confident | 90.3 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | trans | -61 | 125.9 | 173.1 | -20.5 | 32.2 | 0 | 0 | 0 | 111.4 | T88 | P78-T88 HydrophobicContact CB-CG2 4.06Å; P78-T88 HydrophobicContact CG-CG2 4.5Å; P78-T88 WeakPolarHBondContact O-CB 3.39Å | ||
| 79 | V | 89.6 | Confident | 90 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | trans | -100.5 | 6.1 | -177.5 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | M77 V89 I132 Y139 L153 | M77-V79 PolarHBondContact O-N 2.85Å; V79-V89 HydrophobicContact CG1-CG2 4.45Å; V79-I132 HydrophobicContact CG1-CB 4.31Å; V79-I132 HydrophobicContact CG1-CD1 4.36Å; V79-I132 HydrophobicContact CG1-CG2 3.79Å; V79-Y139 HydrophobicContact CB-CD1 4.16Å; V79-Y139 HydrophobicContact CB-CD2 4.21Å; V79-Y139 HydrophobicContact CB-CE1 4.14Å; V79-Y139 HydrophobicContact CB-CE2 4.2Å; V79-Y139 HydrophobicContact CB-CG 4.19Å; V79-Y139 HydrophobicContact CG1-CD1 4.29Å; V79-Y139 HydrophobicContact CG1-CD2 3.72Å; V79-Y139 HydrophobicContact CG1-CE2 4.11Å; V79-Y139 HydrophobicContact CG1-CG 3.81Å; V79-Y139 HydrophobicContact CG2-CD2 4.25Å; V79-Y139 HydrophobicContact CG2-CE1 4.11Å; V79-Y139 HydrophobicContact CG2-CE2 3.77Å; V79-L153 HydrophobicContact CB-CD2 3.87Å; V79-L153 HydrophobicContact CG1-CD2 4.24Å | ||
| 80 | G | 88.5 | Confident | 89.7 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -77.4 | 167.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T88 | G80-T88 WeakPolarHBondContact O-CB 3.49Å; G80-T88 PolarHBondContact O-N 3.38Å; G80-T88 PolarHBondContact O-OG1 3.44Å |
| 81 | M | 90.1 | Very high | 89.3 | Confident | 129 Ų | 129 | 43.5 Ų | 43.5 | 64% | 0.635 | 27% | 0.268 | S | S | * | . | B | Isolated β-bridge | trans | -72.9 | 127.5 | 172.8 | -162.9 | 65.1 | 87.1 | 0 | 0 | 110.4 | I86 | M81-I86 VanDerWaalsContact SD-CA 3.57Å; M81-I86 VanDerWaalsContact SD-O 3.4Å |
| 82 | H | 87 | Confident | 88.9 | Confident | 83 Ų | 83 | 44 Ų | 44 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 162.9 | 174.9 | -176.9 | -105.6 | 0 | 0 | 0 | 110.9 | S84 G85 I86 V91 | H82-S84 PolarHBondContact ND1-N 3.07Å; H82-S84 PolarHBondContact ND1-OG 2.85Å; H82-S84 PolarHBondContact O-N 3.23Å; H82-G85 PolarHBondContact O-N 3.37Å; H82-I86 WeakPolarHBondContact CB-O 3.28Å; H82-I86 PolarHBondContact N-O 3.32Å; H82-V91 HydrophobicContact CB-CG2 3.88Å |
| 83 | A | 81.6 | Confident | 88.8 | Confident | 105 Ų | 105 | 43.2 Ų | 43.2 | 87% | 0.868 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G85 | A83-G85 VanDerWaalsContact C-N 3.28Š|
| 84 | S | 81.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 41 Ų | 41 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.8 | 173.7 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | H82 I86 | H82-S84 PolarHBondContact ND1-N 3.07Å; H82-S84 PolarHBondContact ND1-OG 2.85Å; H82-S84 PolarHBondContact O-N 3.23Å; S84-I86 WeakPolarHBondContact OG-CG1 3.36Å |
| 85 | G | 83.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 44 Ų | 44 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 86.3 | 5.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H82 A83 | H82-G85 PolarHBondContact O-N 3.37Å; A83-G85 VanDerWaalsContact C-N 3.28Å |
| 86 | I | 88.8 | Confident | 87.8 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -112.3 | 156 | 169.7 | 52.2 | 164.6 | 0 | 0 | 0 | 110.7 | M81 H82 S84 E90 V91 I95 | M81-I86 VanDerWaalsContact SD-CA 3.57Å; M81-I86 VanDerWaalsContact SD-O 3.4Å; H82-I86 WeakPolarHBondContact CB-O 3.28Å; H82-I86 PolarHBondContact N-O 3.32Å; S84-I86 WeakPolarHBondContact OG-CG1 3.36Å; I86-E90 HydrophobicContact CD1-CG 4.39Å; I86-V91 HydrophobicContact CD1-CG2 3.6Å; I86-V91 HydrophobicContact CG1-CG2 3.64Å; I86-I95 HydrophobicContact CD1-CD1 4.28Å |
| 87 | P | 90.8 | Very high | 87.2 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -53.5 | 144.8 | 177.6 | -25.5 | 34 | 0 | 0 | 0 | 112.6 | V89 E90 V91 T152 L153 | P87-V89 PolarHBondContact O-N 3.37Å; P87-E90 HydrophobicContact CB-CB 4.33Å; P87-E90 WeakPolarHBondContact CD-OE2 3.34Å; P87-E90 WeakPolarHBondContact O-CB 3.38Å; P87-E90 PolarHBondContact O-N 3.33Å; P87-V91 WeakPolarHBondContact O-CG2 3.24Å; P87-V91 PolarHBondContact O-N 3.11Å; P87-V91 VanDerWaalsContact O-N 3.09Å; P87-T152 WeakPolarHBondContact CG-OG1 3.26Å; P87-L153 HydrophobicContact CB-CB 3.75Å; P87-L153 HydrophobicContact CB-CD2 4.13Å; P87-L153 HydrophobicContact CG-CB 3.77Å |
| 88 | T | 90 | Very high | 86.1 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -29.3 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | P78 G80 V91 I92 | P78-T88 HydrophobicContact CB-CG2 4.06Å; P78-T88 HydrophobicContact CG-CG2 4.5Å; P78-T88 WeakPolarHBondContact O-CB 3.39Å; G80-T88 WeakPolarHBondContact O-CB 3.49Å; G80-T88 PolarHBondContact O-N 3.38Å; G80-T88 PolarHBondContact O-OG1 3.44Å; T88-V91 WeakPolarHBondContact O-CB 3.31Å; T88-V91 PolarHBondContact O-N 2.95Å; T88-I92 HydrophobicContact CG2-CD1 4.26Å; T88-I92 VanDerWaalsContact O-CG1 3.3Å; T88-I92 WeakPolarHBondContact O-CG1 3.37Å; T88-I92 PolarHBondContact O-N 3.11Å; T88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | V | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -52.5 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | V79 P87 V91 I92 F93 V130 I132 E141 L153 | V79-V89 HydrophobicContact CG1-CG2 4.45Å; P87-V89 PolarHBondContact O-N 3.37Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 PolarHBondContact O-N 3.42Å; V89-I92 PolarHBondContact O-N 3.45Å; V89-I92 VanDerWaalsContact O-N 3.07Å; V89-F93 HydrophobicContact CG1-CD2 4.22Å; V89-F93 HydrophobicContact CG1-CE2 4.41Å; V89-F93 WeakPolarHBondContact O-CD2 3.38Å; V89-F93 PolarHBondContact O-N 3.09Å; V89-V130 HydrophobicContact CG1-CB 4.44Å; V89-V130 HydrophobicContact CG1-CG1 4.15Å; V89-I132 HydrophobicContact CB-CD1 4.14Å; V89-I132 HydrophobicContact CG1-CD1 3.7Å; V89-I132 HydrophobicContact CG2-CD1 3.26Å; V89-E141 WeakPolarHBondContact CB-OE2 3.23Å; V89-E141 HydrophobicContact CG1-CB 4.46Å; V89-E141 WeakPolarHBondContact CG1-OE2 3.33Å; V89-L153 HydrophobicContact CB-CD1 4.14Å; V89-L153 HydrophobicContact CB-CD2 4.47Å; V89-L153 HydrophobicContact CG1-CD1 4.34Å; V89-L153 HydrophobicContact CG2-CD1 4Å; V89-L153 HydrophobicContact CG2-CD2 3.9Å |
| 90 | E | 91.5 | Very high | 83.8 | Confident | 25 Ų | 25 | 47 Ų | 47 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.8 | -45.8 | 172 | -161.5 | -176.8 | 138.5 | 0 | 0 | 111.8 | I86 P87 I92 F93 T94 E141 F143 P149 | I86-E90 HydrophobicContact CD1-CG 4.39Å; P87-E90 HydrophobicContact CB-CB 4.33Å; P87-E90 WeakPolarHBondContact CD-OE2 3.34Å; P87-E90 WeakPolarHBondContact O-CB 3.38Å; P87-E90 PolarHBondContact O-N 3.33Å; E90-I92 PolarHBondContact O-N 3.42Å; E90-F93 PolarHBondContact O-N 3.28Å; E90-T94 HydrophobicContact CG-CG2 4.09Å; E90-T94 VanDerWaalsContact O-CB 3.31Å; E90-T94 WeakPolarHBondContact O-CB 3.44Å; E90-T94 WeakPolarHBondContact O-CG2 3.45Å; E90-T94 PolarHBondContact O-N 3.35Å; E90-T94 PolarHBondContact O-OG1 2.84Å; E90-E141 PolarHBondContact N-OE2 3.13Å; E90-E141 VanDerWaalsContact N-OE2 3.13Å; E90-F143 HydrophobicContact CG-CE1 4.31Å; E90-P149 HydrophobicContact CG-CB 4.32Å; E90-P149 HydrophobicContact CG-CG 4.29Å |
| 91 | V | 88.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 177.2 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | H82 I86 P87 T88 V89 F93 I95 A98 | H82-V91 HydrophobicContact CB-CG2 3.88Å; I86-V91 HydrophobicContact CD1-CG2 3.6Å; I86-V91 HydrophobicContact CG1-CG2 3.64Å; P87-V91 WeakPolarHBondContact O-CG2 3.24Å; P87-V91 PolarHBondContact O-N 3.11Å; P87-V91 VanDerWaalsContact O-N 3.09Å; T88-V91 WeakPolarHBondContact O-CB 3.31Å; T88-V91 PolarHBondContact O-N 2.95Å; V89-V91 VanDerWaalsContact C-N 3.26Å; V89-V91 PolarHBondContact O-N 3.42Å; V91-F93 VanDerWaalsContact C-N 3.28Å; V91-F93 PolarHBondContact O-N 3.41Å; V91-I95 HydrophobicContact CB-CD1 4.46Å; V91-I95 HydrophobicContact CG1-CB 4.44Å; V91-I95 HydrophobicContact CG1-CD1 4.16Å; V91-I95 HydrophobicContact CG2-CD1 4.17Å; V91-I95 WeakPolarHBondContact O-CB 3.43Å; V91-I95 PolarHBondContact O-N 3.47Å; V91-A98 HydrophobicContact CG1-CB 3.59Å |
| 92 | I | 88.4 | Confident | 80.5 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -36.7 | -178.9 | -69.8 | 162.8 | 0 | 0 | 0 | 111.6 | M77 T88 V89 E90 A118 | M77-I92 HydrophobicContact CB-CD1 4.44Å; M77-I92 HydrophobicContact CE-CG2 4.36Å; M77-I92 HydrophobicContact CG-CD1 4.4Å; M77-I92 HydrophobicContact SD-CD1 4.05Å; M77-I92 HydrophobicContact SD-CG2 4.37Å; T88-I92 HydrophobicContact CG2-CD1 4.26Å; T88-I92 VanDerWaalsContact O-CG1 3.3Å; T88-I92 WeakPolarHBondContact O-CG1 3.37Å; T88-I92 PolarHBondContact O-N 3.11Å; T88-I92 VanDerWaalsContact O-N 3.08Å; V89-I92 PolarHBondContact O-N 3.45Å; V89-I92 VanDerWaalsContact O-N 3.07Å; E90-I92 PolarHBondContact O-N 3.42Å; I92-A118 HydrophobicContact CG2-CB 4.08Å |
| 93 | F | 91.1 | Very high | 78.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -96.1 | -11.7 | -174.8 | -77.6 | -82.9 | 0 | 0 | 0 | 114.4 | M77 V89 E90 V91 A118 S119 N122 L128 V130 F143 V167 | M77-F93 HydrophobicContact CE-CE2 3.83Å; M77-F93 HydrophobicContact CE-CZ 3.97Å; M77-F93 HydrophobicContact SD-CE2 3.71Å; M77-F93 HydrophobicContact SD-CZ 4.42Å; V89-F93 HydrophobicContact CG1-CD2 4.22Å; V89-F93 HydrophobicContact CG1-CE2 4.41Å; V89-F93 WeakPolarHBondContact O-CD2 3.38Å; V89-F93 PolarHBondContact O-N 3.09Å; E90-F93 PolarHBondContact O-N 3.28Å; V91-F93 VanDerWaalsContact C-N 3.28Å; V91-F93 PolarHBondContact O-N 3.41Å; F93-A118 HydrophobicContact CD1-CB 3.97Å; F93-A118 HydrophobicContact CE1-CB 3.76Å; F93-A118 HydrophobicContact CZ-CB 4.2Å; F93-S119 WeakPolarHBondContact O-CA 3.35Å; F93-N122 HydrophobicContact CB-CB 4.48Å; F93-N122 HydrophobicContact CD1-CB 4.17Å; F93-N122 WeakPolarHBondContact O-CB 3.38Å; F93-N122 PolarHBondContact O-ND2 2.86Å; F93-L128 HydrophobicContact CD1-CD1 4.17Å; F93-L128 HydrophobicContact CD1-CD2 3.77Å; F93-L128 HydrophobicContact CE1-CD1 4.03Å; F93-L128 HydrophobicContact CE1-CD2 3.73Å; F93-L128 HydrophobicContact CG-CD2 4.47Å; F93-L128 HydrophobicContact CZ-CD2 4.41Å; F93-V130 HydrophobicContact CD1-CG2 4.38Å; F93-V130 HydrophobicContact CD2-CG2 3.88Å; F93-V130 HydrophobicContact CE1-CG2 3.99Å; F93-V130 HydrophobicContact CE2-CB 4.31Å; F93-V130 HydrophobicContact CE2-CG1 3.93Å; F93-V130 HydrophobicContact CE2-CG2 3.45Å; F93-V130 VanDerWaalsContact CE2-CG2 3.45Å; F93-V130 HydrophobicContact CG-CG2 4.34Å; F93-V130 HydrophobicContact CZ-CG1 4.27Å; F93-V130 HydrophobicContact CZ-CG2 3.5Å; F93-V130 VanDerWaalsContact CZ-CG2 3.5Å; F93-F143 HydrophobicContact CB-CE1 4.24Å; F93-F143 HydrophobicContact CB-CE2 3.92Å; F93-F143 HydrophobicContact CB-CZ 3.73Å; F93-F143 HydrophobicContact CD2-CE2 4.43Å; F93-F143 HydrophobicContact CG-CE2 4.18Å; F93-F143 HydrophobicContact CG-CZ 4.4Å; F93-V167 HydrophobicContact CE1-CG1 4.3Å; F93-V167 HydrophobicContact CZ-CG1 4.45Å; F93-V167 HydrophobicContact CZ-CG2 3.9Å |
| 94 | T | 87.7 | Confident | 76.9 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -119.2 | -22.2 | -176.3 | 63.5 | 0 | 0 | 0 | 0 | 114.6 | E90 F143 | E90-T94 HydrophobicContact CG-CG2 4.09Å; E90-T94 VanDerWaalsContact O-CB 3.31Å; E90-T94 WeakPolarHBondContact O-CB 3.44Å; E90-T94 WeakPolarHBondContact O-CG2 3.45Å; E90-T94 PolarHBondContact O-N 3.35Å; E90-T94 PolarHBondContact O-OG1 2.84Å; T94-F143 HydrophobicContact CG2-CD1 4.12Å; T94-F143 HydrophobicContact CG2-CE1 3.62Å |
| 95 | I | 84.7 | Confident | 75.1 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -108.1 | 115.6 | -176.8 | -56.7 | -173.9 | 0 | 0 | 0 | 109.6 | I86 V91 A98 | I86-I95 HydrophobicContact CD1-CD1 4.28Å; V91-I95 HydrophobicContact CB-CD1 4.46Å; V91-I95 HydrophobicContact CG1-CB 4.44Å; V91-I95 HydrophobicContact CG1-CD1 4.16Å; V91-I95 HydrophobicContact CG2-CD1 4.17Å; V91-I95 WeakPolarHBondContact O-CB 3.43Å; V91-I95 PolarHBondContact O-N 3.47Å; I95-A98 HydrophobicContact CB-CB 3.95Å; I95-A98 HydrophobicContact CG2-CB 4.07Å; I95-A98 VanDerWaalsContact O-CB 3.27Å; I95-A98 WeakPolarHBondContact O-CB 3.27Å; I95-A98 PolarHBondContact O-N 3.4Å |
| 96 | L | 81.4 | Confident | 73.5 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 142.5 | 169.7 | -66.6 | 176 | 0 | 0 | 0 | 110.2 | L16 V19 Y26 A98 V116 V120 | L16-L96 HydrophobicContact CD2-CD2 4.11Å; L16-L96 HydrophobicContact CD2-CG 4.13Å; V19-L96 HydrophobicContact CG2-CD1 3.99Å; V19-L96 HydrophobicContact CG2-CD2 3.92Å; V19-L96 HydrophobicContact CG2-CG 4.45Å; Y26-L96 HydrophobicContact CE1-CD1 4.45Å; L96-A98 PolarHBondContact O-N 3.14Å; L96-V116 HydrophobicContact CD2-CB 4.37Å; L96-V116 HydrophobicContact CD2-CG1 4.23Å; L96-V120 HydrophobicContact CD2-CG2 4.28Å |
| 97 | H | 75.8 | Confident | 71.7 | Confident | 119 Ų | 119 | 50.2 Ų | 50.2 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 26.3 | -177.5 | -45.7 | -60.6 | 0 | 0 | 0 | 113.6 | F102 H114 G115 | H97-F102 HydrophobicContact CB-CZ 4.23Å; H97-F102 WeakPolarHBondContact O-CE2 3.33Å; H97-H114 WeakPolarHBondContact CA-O 3.47Å; H97-H114 PolarHBondContact ND1-O 3.06Å; H97-H114 VanDerWaalsContact ND1-O 3.11Å; H97-G115 WeakPolarHBondContact CA-O 3.48Å; H97-G115 PolarHBondContact N-O 3.08Å |
| 98 | A | 68.1 | Low | 69.8 | Low | 17 Ų | 17 | 57.2 Ų | 57.2 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | trans | -98.9 | 127.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V91 I95 L96 G115 | V91-A98 HydrophobicContact CG1-CB 3.59Å; I95-A98 HydrophobicContact CB-CB 3.95Å; I95-A98 HydrophobicContact CG2-CB 4.07Å; I95-A98 VanDerWaalsContact O-CB 3.27Å; I95-A98 WeakPolarHBondContact O-CB 3.27Å; I95-A98 PolarHBondContact O-N 3.4Å; L96-A98 PolarHBondContact O-N 3.14Å; A98-G115 PolarHBondContact N-O 3.06Å | ||
| 99 | G | 66.5 | Low | 68.2 | Low | 34 Ų | 34 | 56.6 Ų | 56.6 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -179.2 | 152.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K101 F102 | G99-K101 PolarHBondContact O-N 3.4Å; G99-F102 WeakPolarHBondContact O-CD2 3.23Å |
| 100 | G | 62.2 | Low | 66.5 | Low | 57 Ų | 57 | 56.9 Ų | 56.9 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -65.7 | -0.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 101 | K | 58 | Low | 64.6 | Low | 25 Ų | 25 | 56 Ų | 56 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -81.2 | -22.5 | -175.5 | -57.4 | -176.5 | 177.8 | -178.2 | 0 | 113.3 | D48 G99 G103 Y107 G112 | D48-K101 WeakPolarHBondContact OD2-CE 3.47Å; D48-K101 IonicContact OD2-NZ 2.99Å; D48-K101 PolarHBondContact OD2-NZ 3.44Å; G99-K101 PolarHBondContact O-N 3.4Å; K101-G103 VanDerWaalsContact C-N 3.25Å; K101-G103 PolarHBondContact O-N 2.98Å; K101-Y107 HydrophobicContact CG-CD2 3.89Å; K101-Y107 HydrophobicContact CG-CE2 4.21Å; K101-G112 WeakPolarHBondContact CD-O 3.38Å; K101-G112 PolarHBondContact NZ-O 3.47Å |
| 102 | F | 53.1 | Low | 63.1 | Low | 125 Ų | 125 | 56.5 Ų | 56.5 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -77.5 | -3.1 | 179.4 | -58.1 | -74.3 | 0 | 0 | 0 | 114.7 | H97 G99 | H97-F102 HydrophobicContact CB-CZ 4.23Å; H97-F102 WeakPolarHBondContact O-CE2 3.33Å; G99-F102 WeakPolarHBondContact O-CD2 3.23Å |
| 103 | G | 47.8 | Very low | 61.3 | Low | 45 Ų | 45 | 56.7 Ų | 56.7 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -109 | 151.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K101 G105 | K101-G103 VanDerWaalsContact C-N 3.25Å; K101-G103 PolarHBondContact O-N 2.98Å; G103-G105 PolarHBondContact O-N 3.16Å |
| 104 | Q | 43.9 | Very low | 59.6 | Low | 223 Ų | 223 | 59.7 Ų | 59.7 | 100% | 1.042 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 7.3 | -176.2 | -96.5 | -172.5 | -6.2 | 0 | 0 | 117.2 | ||
| 105 | G | 44 | Very low | 58.2 | Low | 77 Ų | 77 | 59.5 Ų | 59.5 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.6 | 12.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | G103 | G103-G105 PolarHBondContact O-N 3.16Š|
| 106 | G | 49.8 | Very low | 57.5 | Low | 32 Ų | 32 | 57.4 Ų | 57.4 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -89.6 | -47.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 107 | Y | 51.4 | Low | 57.5 | Low | 65 Ų | 65 | 56.3 Ų | 56.3 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | trans | -140.7 | 134.3 | -169.5 | -68.9 | -88.4 | 0 | 0 | 0 | 110.4 | D48 E49 S52 K101 | D48-Y107 HydrophobicContact CB-CD1 4.4Å; D48-Y107 HydrophobicContact CB-CE1 4.01Å; E49-Y107 PolarHBondContact OE1-OH 3.32Å; S52-Y107 WeakPolarHBondContact OG-CD1 3.36Å; K101-Y107 HydrophobicContact CG-CD2 3.89Å; K101-Y107 HydrophobicContact CG-CE2 4.21Å | ||
| 108 | K | 50.9 | Low | 58.1 | Low | 157 Ų | 157 | 51 Ų | 51 | 68% | 0.683 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -73.4 | -36.8 | 178.1 | -166.3 | -170.7 | 176.5 | -152.6 | 0 | 111.6 | E251 | K108-E251 IonicContact NZ-OE1 2.76Å; K108-E251 PolarHBondContact NZ-OE1 2.78Å |
| 109 | T | 56.3 | Low | 59.1 | Low | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -154.8 | 136.2 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 108 | R326 | T109-R326 HydrophobicContact CG2-CB 4.21Š|
| 110 | S | 56.2 | Low | 60.3 | Low | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | trans | -143.5 | 155.9 | 176.4 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | D48 N271 | D48-S110 WeakPolarHBondContact OD1-CB 3.25Å; S110-N271 WeakPolarHBondContact O-CB 3.11Å; S110-N271 PolarHBondContact O-ND2 3.09Å | ||
| 111 | G | 51.8 | Low | 61.7 | Low | 7 Ų | 7 | 46.1 Ų | 46.1 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -82.4 | -27.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D48 K339 | D48-G111 PolarHBondContact OD1-N 3.08Å; G111-K339 PolarHBondContact O-NZ 3.06Å |
| 112 | G | 56.3 | Low | 63.4 | Low | 20 Ų | 20 | 45 Ų | 45 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | trans | -99.4 | 111.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K101 | K101-G112 WeakPolarHBondContact CD-O 3.38Å; K101-G112 PolarHBondContact NZ-O 3.47Å | ||
| 113 | L | 51.2 | Low | 65.3 | Low | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | trans | -88.1 | -21.8 | -176.4 | -77.2 | 164.8 | 0 | 0 | 0 | 115.7 | E329 L332 F334 | L113-E329 HydrophobicContact CD2-CG 4.2Å; L113-L332 HydrophobicContact CD1-CD2 4.16Å; L113-L332 HydrophobicContact CD1-CG 4.47Å; L113-L332 HydrophobicContact CD2-CD2 4.15Å; L113-L332 HydrophobicContact CG-CD2 4.31Å; L113-F334 HydrophobicContact CD1-CD2 4.28Å; L113-F334 HydrophobicContact CD1-CE2 4.47Å | ||
| 114 | H | 54.8 | Low | 67.5 | Low | 63 Ų | 63 | 36.9 Ų | 36.9 | 29% | 0.292 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -110.4 | -7 | -159.6 | -58.3 | 103.3 | 0 | 0 | 0 | 116 | H97 V116 Q337 | H97-H114 WeakPolarHBondContact CA-O 3.47Å; H97-H114 PolarHBondContact ND1-O 3.06Å; H97-H114 VanDerWaalsContact ND1-O 3.11Å; H114-V116 VanDerWaalsContact C-N 3.34Å; H114-V116 HydrophobicContact CB-CG1 4.21Å; H114-V116 HydrophobicContact CB-CG2 4.01Å; H114-V116 PolarHBondContact O-N 3.4Å; H114-Q337 PolarHBondContact CE1-NE2 2.76Å; H114-Q337 PolarHBondContact CE1-OE1 2.91Å; H114-Q337 PolarHBondContact ND1-NE2 3.28Å |
| 115 | G | 58 | Low | 69.9 | Low | 19 Ų | 19 | 26.3 Ų | 26.3 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 60.1 | 38.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H97 A98 | H97-G115 WeakPolarHBondContact CA-O 3.48Å; H97-G115 PolarHBondContact N-O 3.08Å; A98-G115 PolarHBondContact N-O 3.06Å |
| 116 | V | 70.9 | Confident | 72.3 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 18% | 0.176 | 15% | 0.152 | C | C | . | . | trans | -115.9 | -19 | -177.2 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | L96 H114 S119 V120 | L96-V116 HydrophobicContact CD2-CB 4.37Å; L96-V116 HydrophobicContact CD2-CG1 4.23Å; H114-V116 VanDerWaalsContact C-N 3.34Å; H114-V116 HydrophobicContact CB-CG1 4.21Å; H114-V116 HydrophobicContact CB-CG2 4.01Å; H114-V116 PolarHBondContact O-N 3.4Å; V116-S119 VanDerWaalsContact C-OG 3.31Å; V116-S119 WeakPolarHBondContact CA-OG 3.3Å; V116-S119 PolarHBondContact O-OG 2.93Å; V116-V120 HydrophobicContact CB-CG2 4.25Å; V116-V120 WeakPolarHBondContact O-CB 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.39Å; V116-V120 PolarHBondContact O-N 3Å | ||
| 117 | G | 80.6 | Confident | 74.5 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.5 | -68.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E41 S119 V120 V121 | E41-G117 WeakPolarHBondContact OE2-CA 3.4Å; G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.5Å; G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 PolarHBondContact O-N 3.12Å; G117-V121 WeakPolarHBondContact O-CG2 3.46Å; G117-V121 PolarHBondContact O-N 3.36Å |
| 118 | A | 88.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -39.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I92 F93 V121 N122 | I92-A118 HydrophobicContact CG2-CB 4.08Å; F93-A118 HydrophobicContact CD1-CB 3.97Å; F93-A118 HydrophobicContact CE1-CB 3.76Å; F93-A118 HydrophobicContact CZ-CB 4.2Å; A118-V121 PolarHBondContact O-N 3.45Å; A118-N122 WeakPolarHBondContact O-CB 3.5Å; A118-N122 PolarHBondContact O-N 2.85Å |
| 119 | S | 89.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 175.5 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | F93 V116 G117 A123 | F93-S119 WeakPolarHBondContact O-CA 3.35Å; V116-S119 VanDerWaalsContact C-OG 3.31Å; V116-S119 WeakPolarHBondContact CA-OG 3.3Å; V116-S119 PolarHBondContact O-OG 2.93Å; G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.5Å; S119-A123 WeakPolarHBondContact O-CB 3.2Å; S119-A123 PolarHBondContact O-N 3.35Å |
| 120 | V | 89.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.024 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.2 | -42.4 | 176.1 | 165.8 | 0 | 0 | 0 | 0 | 110.3 | V19 Y26 I27 L96 V116 G117 N122 A123 L124 | V19-V120 HydrophobicContact CG1-CB 4.2Å; V19-V120 HydrophobicContact CG1-CG1 3.89Å; V19-V120 HydrophobicContact CG1-CG2 3.92Å; V19-V120 HydrophobicContact CG2-CG2 4.2Å; Y26-V120 HydrophobicContact CD1-CG2 3.72Å; Y26-V120 HydrophobicContact CG-CG2 4Å; I27-V120 HydrophobicContact CG2-CG1 3.52Å; L96-V120 HydrophobicContact CD2-CG2 4.28Å; V116-V120 HydrophobicContact CB-CG2 4.25Å; V116-V120 WeakPolarHBondContact O-CB 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.39Å; V116-V120 PolarHBondContact O-N 3Å; G117-V120 WeakPolarHBondContact O-CB 3.5Å; G117-V120 PolarHBondContact O-N 3.12Å; V120-N122 VanDerWaalsContact C-N 3.31Å; V120-N122 PolarHBondContact O-N 3.33Å; V120-A123 WeakPolarHBondContact O-CB 3.25Å; V120-A123 PolarHBondContact O-N 3.13Å; V120-L124 HydrophobicContact CG1-CD1 3.86Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 VanDerWaalsContact O-CG 3.31Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.16Å |
| 121 | V | 92.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L38 E41 I42 G117 A118 A123 L124 S125 L128 F169 | L38-V121 HydrophobicContact CB-CG1 4.41Å; L38-V121 HydrophobicContact CB-CG2 4.26Å; L38-V121 HydrophobicContact CD2-CG2 4.18Å; L38-V121 WeakPolarHBondContact O-CG2 3.37Å; E41-V121 HydrophobicContact CB-CG2 3.83Å; I42-V121 HydrophobicContact CD1-CB 3.91Å; I42-V121 HydrophobicContact CD1-CG1 3.96Å; I42-V121 HydrophobicContact CD1-CG2 3.84Å; I42-V121 HydrophobicContact CG1-CB 4.31Å; I42-V121 HydrophobicContact CG1-CG1 3.94Å; I42-V121 HydrophobicContact CG1-CG2 4.03Å; G117-V121 WeakPolarHBondContact O-CG2 3.46Å; G117-V121 PolarHBondContact O-N 3.36Å; A118-V121 PolarHBondContact O-N 3.45Å; V121-A123 PolarHBondContact O-N 2.77Å; V121-L124 PolarHBondContact O-N 3.12Å; V121-S125 WeakPolarHBondContact O-CB 3.12Å; V121-S125 PolarHBondContact O-N 3.44Å; V121-S125 VanDerWaalsContact O-N 3.12Å; V121-S125 PolarHBondContact O-OG 2.94Å; V121-L128 HydrophobicContact CG1-CD1 4.03Å; V121-F169 HydrophobicContact CG1-CD1 4.08Å; V121-F169 HydrophobicContact CG1-CD2 3.79Å; V121-F169 HydrophobicContact CG1-CE1 4.13Å; V121-F169 HydrophobicContact CG1-CE2 3.85Å; V121-F169 HydrophobicContact CG1-CG 3.91Å; V121-F169 HydrophobicContact CG1-CZ 4.02Å |
| 122 | N | 94.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.8 | -163 | 20.8 | 0 | 0 | 0 | 112.7 | F93 A118 V120 L124 S125 L128 F143 G146 G147 | F93-N122 HydrophobicContact CB-CB 4.48Å; F93-N122 HydrophobicContact CD1-CB 4.17Å; F93-N122 WeakPolarHBondContact O-CB 3.38Å; F93-N122 PolarHBondContact O-ND2 2.86Å; A118-N122 WeakPolarHBondContact O-CB 3.5Å; A118-N122 PolarHBondContact O-N 2.85Å; V120-N122 VanDerWaalsContact C-N 3.31Å; V120-N122 PolarHBondContact O-N 3.33Å; N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 2.89Å; N122-S125 PolarHBondContact O-N 3.4Å; N122-L128 HydrophobicContact CB-CD1 4.01Å; N122-L128 WeakPolarHBondContact OD1-CB 3.25Å; N122-F143 WeakPolarHBondContact ND2-CD1 3.47Å; N122-F143 WeakPolarHBondContact ND2-CG 3.33Å; N122-F143 WeakPolarHBondContact OD1-CB 3.21Å; N122-G146 CarbonylContact O-C 3.46Å; N122-G147 VanDerWaalsContact CG-CA 3.46Å; N122-G147 VanDerWaalsContact ND2-CA 3.29Å; N122-G147 WeakPolarHBondContact ND2-CA 3.43Å; N122-G147 PolarHBondContact O-N 2.9Å; N122-G147 WeakPolarHBondContact OD1-CA 3.48Å |
| 123 | A | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.8 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L16 V19 R20 S119 V120 V121 G146 | L16-A123 HydrophobicContact CB-CB 3.87Å; L16-A123 HydrophobicContact CD1-CB 4.04Å; L16-A123 HydrophobicContact CD2-CB 4.26Å; L16-A123 HydrophobicContact CG-CB 4.27Å; V19-A123 HydrophobicContact CB-CB 3.82Å; V19-A123 HydrophobicContact CG1-CB 3.82Å; V19-A123 HydrophobicContact CG2-CB 4.39Å; R20-A123 WeakPolarHBondContact CD-O 3.27Å; R20-A123 HydrophobicContact CG-CB 4.33Å; R20-A123 WeakPolarHBondContact CG-O 3.46Å; R20-A123 PolarHBondContact NH1-O 2.93Å; S119-A123 WeakPolarHBondContact O-CB 3.2Å; S119-A123 PolarHBondContact O-N 3.35Å; V120-A123 WeakPolarHBondContact O-CB 3.25Å; V120-A123 PolarHBondContact O-N 3.13Å; V121-A123 PolarHBondContact O-N 2.77Å; A123-G146 VanDerWaalsContact O-CA 3.29Å; A123-G146 WeakPolarHBondContact O-CA 3.44Å |
| 124 | L | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.9 | -175.7 | -57.9 | -176.7 | 0 | 0 | 0 | 113.6 | V19 R20 P23 I27 L38 V120 V121 N122 D172 I175 F176 | V19-L124 HydrophobicContact CG1-CD1 4.38Å; V19-L124 HydrophobicContact CG1-CD2 3.99Å; V19-L124 HydrophobicContact CG1-CG 4.05Å; R20-L124 HydrophobicContact CG-CD2 4.43Å; P23-L124 HydrophobicContact CB-CD1 4.08Å; P23-L124 HydrophobicContact CB-CD2 3.8Å; I27-L124 HydrophobicContact CD1-CD1 3.56Å; I27-L124 HydrophobicContact CG1-CD1 3.94Å; I27-L124 HydrophobicContact CG2-CD1 3.9Å; L38-L124 HydrophobicContact CD2-CB 4.3Å; L38-L124 HydrophobicContact CD2-CD1 4.01Å; V120-L124 HydrophobicContact CG1-CD1 3.86Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 VanDerWaalsContact O-CG 3.31Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.16Å; V121-L124 PolarHBondContact O-N 3.12Å; N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 2.89Å; L124-D172 WeakPolarHBondContact O-CB 3.35Å; L124-D172 PolarHBondContact O-N 3.28Å; L124-I175 HydrophobicContact CD2-CD1 3.75Å; L124-I175 HydrophobicContact CD2-CG2 4.29Å; L124-F176 HydrophobicContact CB-CE2 4.1Å; L124-F176 HydrophobicContact CB-CZ 4.32Å; L124-F176 HydrophobicContact CD1-CZ 4.3Å |
| 125 | S | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.7 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | V121 N122 W127 G146 F169 L170 | V121-S125 WeakPolarHBondContact O-CB 3.12Å; V121-S125 PolarHBondContact O-N 3.44Å; V121-S125 VanDerWaalsContact O-N 3.12Å; V121-S125 PolarHBondContact O-OG 2.94Å; N122-S125 PolarHBondContact O-N 3.4Å; S125-W127 VanDerWaalsContact C-N 3.32Å; S125-W127 WeakPolarHBondContact CB-O 3.37Å; S125-G146 WeakPolarHBondContact O-CA 3.43Å; S125-G146 PolarHBondContact O-N 3.4Å; S125-F169 WeakPolarHBondContact OG-CD2 3.28Å; S125-L170 CarbonylContact C-O 3.55Å; S125-L170 WeakPolarHBondContact CA-O 3.5Å; S125-L170 VanDerWaalsContact CB-O 3.28Å; S125-L170 WeakPolarHBondContact CB-O 3.41Å |
| 126 | E | 94.3 | Very high | 91.6 | Very high | 94 Ų | 94 | 24.5 Ų | 24.5 | 44% | 0.439 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -42.7 | 168 | -175.5 | 177.8 | 159.8 | 0 | 0 | 109.8 | K144 D145 L170 | E126-K144 CarbonylContact O-C 3.53Å; E126-K144 WeakPolarHBondContact O-CA 3.49Å; E126-D145 PolarHBondContact O-N 3.27Å; E126-L170 PolarHBondContact N-O 3.43Å |
| 127 | W | 96.7 | Very high | 92.7 | Very high | 46 Ų | 46 | 24 Ų | 24 | 17% | 0.174 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153 | 171.5 | 59.3 | -95.8 | 0 | 0 | 0 | 110.9 | S125 N129 F143 K144 H168 F169 L170 | S125-W127 VanDerWaalsContact C-N 3.32Å; S125-W127 WeakPolarHBondContact CB-O 3.37Å; W127-N129 WeakPolarHBondContact CZ3-ND2 3.29Å; W127-F143 CarbonylContact C-O 3.57Å; W127-F143 VanDerWaalsContact CA-O 3.22Å; W127-F143 WeakPolarHBondContact CA-O 3.44Å; W127-F143 WeakPolarHBondContact CB-O 3.33Å; W127-K144 HydrophobicContact CB-CG 4.12Å; W127-H168 AromaticContact CH2-CD2 3.69Å; W127-H168 AromaticContact CH2-CE1 3.63Å; W127-H168 AromaticContact CH2-CG 3.84Å; W127-H168 AromaticContact CH2-ND1 3.78Å; W127-H168 AromaticContact CH2-NE2 3.56Å; W127-H168 HydrophobicContact CZ3-CB 4.31Å; W127-H168 AromaticContact CZ3-CG 3.83Å; W127-H168 AromaticContact CZ3-ND1 3.95Å; W127-H168 VanDerWaalsContact CZ3-O 3.31Å; W127-H168 WeakPolarHBondContact CZ3-O 3.43Å; W127-F169 WeakPolarHBondContact O-CA 3.2Å; W127-L170 HydrophobicContact CD2-CB 4.08Å; W127-L170 HydrophobicContact CG-CB 4.42Å; W127-L170 HydrophobicContact CH2-CB 4.4Å; W127-L170 HydrophobicContact CZ2-CB 3.6Å; W127-L170 HydrophobicContact CZ2-CD2 4.49Å; W127-L170 VanDerWaalsContact NE1-CD2 3.32Å; W127-L170 PolarHBondContact O-N 2.69Å; W127-L170 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.3 | 175.7 | -178.2 | 151.3 | 0 | 0 | 0 | 109.1 | F93 V121 N122 V130 F143 V167 H168 F169 | F93-L128 HydrophobicContact CD1-CD1 4.17Å; F93-L128 HydrophobicContact CD1-CD2 3.77Å; F93-L128 HydrophobicContact CE1-CD1 4.03Å; F93-L128 HydrophobicContact CE1-CD2 3.73Å; F93-L128 HydrophobicContact CG-CD2 4.47Å; F93-L128 HydrophobicContact CZ-CD2 4.41Å; V121-L128 HydrophobicContact CG1-CD1 4.03Å; N122-L128 HydrophobicContact CB-CD1 4.01Å; N122-L128 WeakPolarHBondContact OD1-CB 3.25Å; L128-V130 HydrophobicContact CD2-CG2 3.36Å; L128-F143 HydrophobicContact CB-CB 4.46Å; L128-F143 HydrophobicContact CD2-CD2 3.76Å; L128-F143 HydrophobicContact CD2-CE2 4.26Å; L128-F143 PolarHBondContact N-O 3Å; L128-F143 WeakPolarHBondContact O-CD2 3.36Å; L128-F143 PolarHBondContact O-N 3.43Å; L128-V167 HydrophobicContact CD1-CG1 3.97Å; L128-V167 HydrophobicContact CD2-CG1 4.18Å; L128-V167 HydrophobicContact CG-CG1 4.05Å; L128-H168 CarbonylContact C-O 3.59Å; L128-H168 WeakPolarHBondContact CA-O 3.36Å; L128-F169 HydrophobicContact CB-CB 4.01Å; L128-F169 HydrophobicContact CD1-CB 3.89Å; L128-F169 HydrophobicContact CG-CB 3.89Å |
| 129 | N | 96.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.5 | 178.5 | -61.8 | -33.8 | 0 | 0 | 0 | 109.5 | W127 E142 V167 H168 | W127-N129 WeakPolarHBondContact CZ3-ND2 3.29Å; N129-E142 WeakPolarHBondContact OD1-CB 3.47Å; N129-E142 WeakPolarHBondContact OD1-CG 3.11Å; N129-V167 WeakPolarHBondContact O-CA 3.29Å; N129-H168 PolarHBondContact N-O 3.47Å; N129-H168 PolarHBondContact O-N 2.77Å |
| 130 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.7 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | V89 F93 L128 I132 R140 E141 F143 T165 T166 | V89-V130 HydrophobicContact CG1-CB 4.44Å; V89-V130 HydrophobicContact CG1-CG1 4.15Å; F93-V130 HydrophobicContact CD1-CG2 4.38Å; F93-V130 HydrophobicContact CD2-CG2 3.88Å; F93-V130 HydrophobicContact CE1-CG2 3.99Å; F93-V130 HydrophobicContact CE2-CB 4.31Å; F93-V130 HydrophobicContact CE2-CG1 3.93Å; F93-V130 HydrophobicContact CE2-CG2 3.45Å; F93-V130 VanDerWaalsContact CE2-CG2 3.45Å; F93-V130 HydrophobicContact CG-CG2 4.34Å; F93-V130 HydrophobicContact CZ-CG1 4.27Å; F93-V130 HydrophobicContact CZ-CG2 3.5Å; F93-V130 VanDerWaalsContact CZ-CG2 3.5Å; L128-V130 HydrophobicContact CD2-CG2 3.36Å; V130-I132 HydrophobicContact CG1-CD1 3.9Å; V130-I132 HydrophobicContact CG1-CG1 3.95Å; V130-R140 CarbonylContact O-C 3.38Å; V130-R140 VanDerWaalsContact O-CA 3.27Å; V130-R140 WeakPolarHBondContact O-CA 3.41Å; V130-E141 PolarHBondContact N-O 2.63Å; V130-E141 PolarHBondContact O-N 3.45Å; V130-F143 HydrophobicContact CG2-CD2 4.5Å; V130-F143 HydrophobicContact CG2-CE2 4.02Å; V130-T165 HydrophobicContact CG1-CG2 3.99Å; V130-T166 CarbonylContact C-O 3.49Å; V130-T166 WeakPolarHBondContact CA-O 3.24Å |
| 131 | T | 96 | Very high | 94.4 | Very high | 33 Ų | 33 | 30.7 Ų | 30.7 | 20% | 0.202 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126 | 171.3 | -57 | 0 | 0 | 0 | 0 | 109 | E138 Y139 T166 | T131-E138 HydrophobicContact CG2-CG 3.89Å; T131-Y139 CarbonylContact C-O 3.54Å; T131-Y139 WeakPolarHBondContact CA-O 3.47Å; T131-T166 PolarHBondContact N-O 2.93Å; T131-T166 PolarHBondContact O-N 2.87Å |
| 132 | I | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127 | -178.5 | -65 | 149.7 | 0 | 0 | 0 | 108.9 | M77 V79 V89 V130 R134 E138 Y139 T165 | M77-I132 HydrophobicContact CB-CD1 3.83Å; M77-I132 HydrophobicContact CB-CG1 4.21Å; M77-I132 HydrophobicContact SD-CD1 4.5Å; V79-I132 HydrophobicContact CG1-CB 4.31Å; V79-I132 HydrophobicContact CG1-CD1 4.36Å; V79-I132 HydrophobicContact CG1-CG2 3.79Å; V89-I132 HydrophobicContact CB-CD1 4.14Å; V89-I132 HydrophobicContact CG1-CD1 3.7Å; V89-I132 HydrophobicContact CG2-CD1 3.26Å; V130-I132 HydrophobicContact CG1-CD1 3.9Å; V130-I132 HydrophobicContact CG1-CG1 3.95Å; I132-R134 HydrophobicContact CG2-CB 4.21Å; I132-E138 CarbonylContact O-C 3.19Å; I132-E138 WeakPolarHBondContact O-CA 3.34Å; I132-Y139 PolarHBondContact N-O 3.44Å; I132-Y139 PolarHBondContact O-N 3.01Å; I132-T165 HydrophobicContact CG1-CG2 3.91Å |
| 133 | V | 94.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.1 | 168.6 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | V137 E138 T159 K161 P162 N163 G164 | V133-V137 WeakPolarHBondContact CA-O 3.46Å; V133-E138 HydrophobicContact CG2-CB 4.45Å; V133-E138 HydrophobicContact CG2-CG 4.21Å; V133-T159 HydrophobicContact CB-CG2 4.42Å; V133-T159 HydrophobicContact CG1-CG2 3.48Å; V133-T159 VanDerWaalsContact CG1-CG2 3.48Å; V133-T159 HydrophobicContact CG2-CG2 4.09Å; V133-K161 HydrophobicContact CG1-CB 4.37Å; V133-K161 HydrophobicContact CG2-CB 4.1Å; V133-K161 HydrophobicContact CG2-CD 4.33Å; V133-P162 WeakPolarHBondContact CB-O 3.33Å; V133-P162 VanDerWaalsContact CG1-O 3.25Å; V133-P162 WeakPolarHBondContact CG1-O 3.07Å; V133-N163 CarbonylContact O-C 3.56Å; V133-N163 WeakPolarHBondContact O-CA 3.34Å; V133-G164 PolarHBondContact N-O 2.95Å; V133-G164 PolarHBondContact O-N 2.79Å |
| 134 | R | 91.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 28% | 0.275 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 133.7 | 178.8 | -172.6 | 168.2 | 179.1 | 144.8 | -0.1 | 110.4 | G76 M77 I132 G136 V137 | G76-R134 PolarHBondContact O-NH1 3.13Å; M77-R134 WeakPolarHBondContact O-CD 3.26Å; I132-R134 HydrophobicContact CG2-CB 4.21Å; R134-G136 PolarHBondContact O-N 2.83Å; R134-G136 VanDerWaalsContact O-N 3.17Å; R134-V137 PolarHBondContact N-O 2.98Å; R134-V137 PolarHBondContact O-N 2.82Å |
| 135 | D | 89.8 | Confident | 94.5 | Very high | 135 Ų | 135 | 43 Ų | 43 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.9 | -179.1 | -57.1 | -41.9 | 0 | 0 | 0 | 113.3 | V137 N163 | D135-V137 VanDerWaalsContact C-N 3.31Å; D135-V137 PolarHBondContact O-N 3.13Å; D135-N163 PolarHBondContact N-OD1 2.74Å |
| 136 | G | 88.5 | Confident | 94.1 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R134 K158 T159 | R134-G136 PolarHBondContact O-N 2.83Å; R134-G136 VanDerWaalsContact O-N 3.17Å; G136-K158 CarbonylContact O-C 2.86Å; G136-K158 WeakPolarHBondContact O-CA 3.27Å; G136-T159 PolarHBondContact O-N 2.98Å |
| 137 | V | 94 | Very high | 93.7 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.2 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | V133 R134 D135 Y139 K155 G157 | V133-V137 WeakPolarHBondContact CA-O 3.46Å; R134-V137 PolarHBondContact N-O 2.98Å; R134-V137 PolarHBondContact O-N 2.82Å; D135-V137 VanDerWaalsContact C-N 3.31Å; D135-V137 PolarHBondContact O-N 3.13Å; V137-Y139 HydrophobicContact CB-CD2 4.39Å; V137-Y139 HydrophobicContact CB-CE2 3.62Å; V137-Y139 HydrophobicContact CG1-CD2 4Å; V137-Y139 HydrophobicContact CG1-CE1 4.39Å; V137-Y139 HydrophobicContact CG1-CE2 3.36Å; V137-K155 HydrophobicContact CG1-CD 4.27Å; V137-K155 VanDerWaalsContact CG1-CE 3.47Å; V137-K155 HydrophobicContact CG1-CG 3.77Å; V137-G157 CarbonylContact C-O 3.54Å; V137-G157 WeakPolarHBondContact CA-O 3.26Å; V137-G157 WeakPolarHBondContact CG1-O 3.38Å |
| 138 | E | 95.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.4 | 175.9 | -167.3 | 162.9 | 151.6 | 0 | 0 | 110.1 | T131 I132 V133 I156 G157 T159 K161 | T131-E138 HydrophobicContact CG2-CG 3.89Å; I132-E138 CarbonylContact O-C 3.19Å; I132-E138 WeakPolarHBondContact O-CA 3.34Å; V133-E138 HydrophobicContact CG2-CB 4.45Å; V133-E138 HydrophobicContact CG2-CG 4.21Å; E138-I156 HydrophobicContact CB-CB 4.27Å; E138-I156 HydrophobicContact CG-CB 4.42Å; E138-I156 WeakPolarHBondContact O-CB 3.23Å; E138-I156 PolarHBondContact O-N 3.31Å; E138-G157 PolarHBondContact N-O 3.5Å; E138-G157 PolarHBondContact O-N 2.98Å; E138-T159 HydrophobicContact CB-CG2 3.9Å; E138-T159 PolarHBondContact OE2-OG1 2.56Å; E138-K161 VanDerWaalsContact CD-NZ 3.28Å; E138-K161 IonicContact OE1-NZ 2.85Å; E138-K161 PolarHBondContact OE1-NZ 3.46Å; E138-K161 WeakPolarHBondContact OE2-CD 3.4Å; E138-K161 WeakPolarHBondContact OE2-CE 3.45Å; E138-K161 IonicContact OE2-NZ 3.86Å; E138-K161 PolarHBondContact OE2-NZ 3.5Å |
| 139 | Y | 96.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148 | 177.2 | -62 | -99.4 | 0 | 0 | 0 | 109.1 | V79 T131 I132 V137 L153 E154 K155 | V79-Y139 HydrophobicContact CB-CD1 4.16Å; V79-Y139 HydrophobicContact CB-CD2 4.21Å; V79-Y139 HydrophobicContact CB-CE1 4.14Å; V79-Y139 HydrophobicContact CB-CE2 4.2Å; V79-Y139 HydrophobicContact CB-CG 4.19Å; V79-Y139 HydrophobicContact CG1-CD1 4.29Å; V79-Y139 HydrophobicContact CG1-CD2 3.72Å; V79-Y139 HydrophobicContact CG1-CE2 4.11Å; V79-Y139 HydrophobicContact CG1-CG 3.81Å; V79-Y139 HydrophobicContact CG2-CD2 4.25Å; V79-Y139 HydrophobicContact CG2-CE1 4.11Å; V79-Y139 HydrophobicContact CG2-CE2 3.77Å; T131-Y139 CarbonylContact C-O 3.54Å; T131-Y139 WeakPolarHBondContact CA-O 3.47Å; I132-Y139 PolarHBondContact N-O 3.44Å; I132-Y139 PolarHBondContact O-N 3.01Å; V137-Y139 HydrophobicContact CB-CD2 4.39Å; V137-Y139 HydrophobicContact CB-CE2 3.62Å; V137-Y139 HydrophobicContact CG1-CD2 4Å; V137-Y139 HydrophobicContact CG1-CE1 4.39Å; V137-Y139 HydrophobicContact CG1-CE2 3.36Å; Y139-L153 HydrophobicContact CD1-CD2 4.17Å; Y139-L153 HydrophobicContact CD1-CG 4.24Å; Y139-E154 CarbonylContact C-O 3.53Å; Y139-E154 WeakPolarHBondContact CA-O 3.05Å; Y139-K155 HydrophobicContact CD1-CB 4.02Å; Y139-K155 HydrophobicContact CD1-CG 4.11Å; Y139-K155 HydrophobicContact CE1-CB 3.89Å; Y139-K155 HydrophobicContact CE1-CD 4.12Å; Y139-K155 HydrophobicContact CE1-CG 3.66Å |
| 140 | R | 95.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 48 Ų | 48 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.4 | 179.2 | -173.2 | 178.8 | 57.1 | 175.2 | -1.1 | 111.3 | V130 E142 E154 I156 | V130-R140 CarbonylContact O-C 3.38Å; V130-R140 VanDerWaalsContact O-CA 3.27Å; V130-R140 WeakPolarHBondContact O-CA 3.41Å; R140-E142 IonicContact CZ-OE1 3.88Å; R140-E142 IonicContact NE-OE1 3.1Å; R140-E142 IonicContact NH1-OE1 2.91Å; R140-E154 IonicContact CZ-OE2 3.27Å; R140-E154 PolarHBondContact N-O 2.99Å; R140-E154 IonicContact NE-OE2 3.44Å; R140-E154 IonicContact NH2-OE2 2.68Å; R140-E154 PolarHBondContact NH2-OE2 3.04Å; R140-E154 WeakPolarHBondContact O-CB 3.42Å; R140-E154 PolarHBondContact O-N 3.42Å; R140-I156 HydrophobicContact CB-CD1 3.99Å; R140-I156 HydrophobicContact CB-CG1 3.93Å |
| 141 | E | 96.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.2 | 172.1 | -167.6 | 155.2 | -144 | 0 | 0 | 109.6 | V89 E90 V130 F143 L153 | V89-E141 WeakPolarHBondContact CB-OE2 3.23Å; V89-E141 HydrophobicContact CG1-CB 4.46Å; V89-E141 WeakPolarHBondContact CG1-OE2 3.33Å; E90-E141 PolarHBondContact N-OE2 3.13Å; E90-E141 VanDerWaalsContact N-OE2 3.13Å; V130-E141 PolarHBondContact N-O 2.63Å; V130-E141 PolarHBondContact O-N 3.45Å; E141-F143 HydrophobicContact CB-CE2 4.28Å; E141-F143 HydrophobicContact CB-CZ 4.5Å; E141-F143 HydrophobicContact CG-CE1 4.39Å; E141-F143 HydrophobicContact CG-CE2 3.87Å; E141-F143 HydrophobicContact CG-CZ 3.7Å; E141-L153 HydrophobicContact CB-CD1 3.89Å; E141-L153 PolarHBondContact OE1-N 2.93Å |
| 142 | E | 95.9 | Very high | 92 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.8 | -176.8 | -58.9 | -174.8 | -176.6 | 0 | 0 | 109.4 | N129 R140 Q150 | N129-E142 WeakPolarHBondContact OD1-CB 3.47Å; N129-E142 WeakPolarHBondContact OD1-CG 3.11Å; R140-E142 IonicContact CZ-OE1 3.88Å; R140-E142 IonicContact NE-OE1 3.1Å; R140-E142 IonicContact NH1-OE1 2.91Å; E142-Q150 HydrophobicContact CB-CB 4.32Å; E142-Q150 PolarHBondContact O-N 3.33Å |
| 143 | F | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | 177.7 | -56.7 | -89.4 | 0 | 0 | 0 | 110 | E90 F93 T94 N122 W127 L128 V130 E141 K148 P149 | E90-F143 HydrophobicContact CG-CE1 4.31Å; F93-F143 HydrophobicContact CB-CE1 4.24Å; F93-F143 HydrophobicContact CB-CE2 3.92Å; F93-F143 HydrophobicContact CB-CZ 3.73Å; F93-F143 HydrophobicContact CD2-CE2 4.43Å; F93-F143 HydrophobicContact CG-CE2 4.18Å; F93-F143 HydrophobicContact CG-CZ 4.4Å; T94-F143 HydrophobicContact CG2-CD1 4.12Å; T94-F143 HydrophobicContact CG2-CE1 3.62Å; N122-F143 WeakPolarHBondContact ND2-CD1 3.47Å; N122-F143 WeakPolarHBondContact ND2-CG 3.33Å; N122-F143 WeakPolarHBondContact OD1-CB 3.21Å; W127-F143 CarbonylContact C-O 3.57Å; W127-F143 VanDerWaalsContact CA-O 3.22Å; W127-F143 WeakPolarHBondContact CA-O 3.44Å; W127-F143 WeakPolarHBondContact CB-O 3.33Å; L128-F143 HydrophobicContact CB-CB 4.46Å; L128-F143 HydrophobicContact CD2-CD2 3.76Å; L128-F143 HydrophobicContact CD2-CE2 4.26Å; L128-F143 PolarHBondContact N-O 3Å; L128-F143 WeakPolarHBondContact O-CD2 3.36Å; L128-F143 PolarHBondContact O-N 3.43Å; V130-F143 HydrophobicContact CG2-CD2 4.5Å; V130-F143 HydrophobicContact CG2-CE2 4.02Å; E141-F143 HydrophobicContact CB-CE2 4.28Å; E141-F143 HydrophobicContact CB-CZ 4.5Å; E141-F143 HydrophobicContact CG-CE1 4.39Å; E141-F143 HydrophobicContact CG-CE2 3.87Å; E141-F143 HydrophobicContact CG-CZ 3.7Å; F143-K148 WeakPolarHBondContact CA-O 3.41Å; F143-P149 HydrophobicContact CD1-CB 4.01Å; F143-P149 HydrophobicContact CE1-CB 3.91Å |
| 144 | K | 93.8 | Very high | 91.7 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 165.8 | 176.1 | -65.8 | -172.3 | 177.8 | -177.6 | 0 | 111.6 | E126 W127 G146 G147 K148 Q150 | E126-K144 CarbonylContact O-C 3.53Å; E126-K144 WeakPolarHBondContact O-CA 3.49Å; W127-K144 HydrophobicContact CB-CG 4.12Å; K144-G146 VanDerWaalsContact C-N 3.34Å; K144-G146 PolarHBondContact O-N 2.98Å; K144-G147 PolarHBondContact O-N 3.47Å; K144-K148 PolarHBondContact N-O 2.94Å; K144-K148 WeakPolarHBondContact O-CB 3.43Å; K144-K148 PolarHBondContact O-N 2.83Å; K144-Q150 HydrophobicContact CB-CG 4.15Å; K144-Q150 HydrophobicContact CD-CG 3.94Å; K144-Q150 HydrophobicContact CG-CG 3.77Å |
| 145 | D | 88.6 | Confident | 91.7 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 44.4 | 174.5 | -56.3 | -33.5 | 0 | 0 | 0 | 113.1 | E126 K148 | E126-D145 PolarHBondContact O-N 3.27Å; D145-K148 HydrophobicContact CB-CD 4.22Å |
| 146 | G | 86.1 | Confident | 91.7 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R20 N122 A123 S125 K144 | R20-G146 VanDerWaalsContact NH1-CA 3.33Å; N122-G146 CarbonylContact O-C 3.46Å; A123-G146 VanDerWaalsContact O-CA 3.29Å; A123-G146 WeakPolarHBondContact O-CA 3.44Å; S125-G146 WeakPolarHBondContact O-CA 3.43Å; S125-G146 PolarHBondContact O-N 3.4Å; K144-G146 VanDerWaalsContact C-N 3.34Å; K144-G146 PolarHBondContact O-N 2.98Å |
| 147 | G | 87.5 | Confident | 91.8 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | 17 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | N122 K144 | N122-G147 VanDerWaalsContact CG-CA 3.46Å; N122-G147 VanDerWaalsContact ND2-CA 3.29Å; N122-G147 WeakPolarHBondContact ND2-CA 3.43Å; N122-G147 PolarHBondContact O-N 2.9Å; N122-G147 WeakPolarHBondContact OD1-CA 3.48Å; K144-G147 PolarHBondContact O-N 3.47Å |
| 148 | K | 90.1 | Very high | 91.6 | Very high | 123 Ų | 123 | 67.3 Ų | 67.3 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.8 | 173.8 | -59.5 | 177.7 | -170.7 | 163.4 | 0 | 110.6 | F143 K144 D145 Q150 | F143-K148 WeakPolarHBondContact CA-O 3.41Å; K144-K148 PolarHBondContact N-O 2.94Å; K144-K148 WeakPolarHBondContact O-CB 3.43Å; K144-K148 PolarHBondContact O-N 2.83Å; D145-K148 HydrophobicContact CB-CD 4.22Å; K148-Q150 PolarHBondContact O-NE2 2.8Å |
| 149 | P | 89.5 | Confident | 91.4 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.3 | -180 | 26.5 | -33.5 | 0 | 0 | 0 | 111.6 | E90 F143 G151 | E90-P149 HydrophobicContact CG-CB 4.32Å; E90-P149 HydrophobicContact CG-CG 4.29Å; F143-P149 HydrophobicContact CD1-CB 4.01Å; F143-P149 HydrophobicContact CE1-CB 3.91Å; P149-G151 VanDerWaalsContact C-N 3.29Å; P149-G151 PolarHBondContact O-N 3.37Å |
| 150 | Q | 91.8 | Very high | 91.1 | Very high | 104 Ų | 104 | 77.7 Ų | 77.7 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -90.4 | 60.7 | 176.1 | -61.6 | -59.3 | -65 | 0 | 0 | 110.6 | E142 K144 K148 | E142-Q150 HydrophobicContact CB-CB 4.32Å; E142-Q150 PolarHBondContact O-N 3.33Å; K144-Q150 HydrophobicContact CB-CG 4.15Å; K144-Q150 HydrophobicContact CD-CG 3.94Å; K144-Q150 HydrophobicContact CG-CG 3.77Å; K148-Q150 PolarHBondContact O-NE2 2.8Å |
| 151 | G | 87.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 78.7 Ų | 78.7 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 112.5 | -141.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P149 | P149-G151 VanDerWaalsContact C-N 3.29Å; P149-G151 PolarHBondContact O-N 3.37Å |
| 152 | T | 88.1 | Confident | 90.6 | Very high | 89 Ų | 89 | 82.3 Ų | 82.3 | 55% | 0.546 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -136.2 | 161.5 | 175.9 | -165.8 | 0 | 0 | 0 | 0 | 108.4 | P87 E154 | P87-T152 WeakPolarHBondContact CG-OG1 3.26Å; T152-E154 PolarHBondContact O-N 3.31Å |
| 153 | L | 90.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | trans | -40.8 | 109.6 | 179.8 | -172.3 | 67.7 | 0 | 0 | 0 | 113.7 | V79 P87 V89 Y139 E141 | V79-L153 HydrophobicContact CB-CD2 3.87Å; V79-L153 HydrophobicContact CG1-CD2 4.24Å; P87-L153 HydrophobicContact CB-CB 3.75Å; P87-L153 HydrophobicContact CB-CD2 4.13Å; P87-L153 HydrophobicContact CG-CB 3.77Å; V89-L153 HydrophobicContact CB-CD1 4.14Å; V89-L153 HydrophobicContact CB-CD2 4.47Å; V89-L153 HydrophobicContact CG1-CD1 4.34Å; V89-L153 HydrophobicContact CG2-CD1 4Å; V89-L153 HydrophobicContact CG2-CD2 3.9Å; Y139-L153 HydrophobicContact CD1-CD2 4.17Å; Y139-L153 HydrophobicContact CD1-CG 4.24Å; E141-L153 HydrophobicContact CB-CD1 3.89Å; E141-L153 PolarHBondContact OE1-N 2.93Å | ||
| 154 | E | 91.8 | Very high | 90.4 | Very high | 97 Ų | 97 | 82.4 Ų | 82.4 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.4 | -178.4 | -171.3 | -174.4 | -173.3 | 0 | 0 | 110.1 | Y139 R140 T152 I156 | Y139-E154 CarbonylContact C-O 3.53Å; Y139-E154 WeakPolarHBondContact CA-O 3.05Å; R140-E154 IonicContact CZ-OE2 3.27Å; R140-E154 PolarHBondContact N-O 2.99Å; R140-E154 IonicContact NE-OE2 3.44Å; R140-E154 IonicContact NH2-OE2 2.68Å; R140-E154 PolarHBondContact NH2-OE2 3.04Å; R140-E154 WeakPolarHBondContact O-CB 3.42Å; R140-E154 PolarHBondContact O-N 3.42Å; T152-E154 PolarHBondContact O-N 3.31Å; E154-I156 HydrophobicContact CB-CD1 4.32Å; E154-I156 VanDerWaalsContact CD-CD1 3.43Å; E154-I156 HydrophobicContact CG-CD1 3.86Å; E154-I156 PolarHBondContact O-N 3.15Å; E154-I156 VanDerWaalsContact OE2-CD1 3.29Å; E154-I156 WeakPolarHBondContact OE2-CD1 3.17Å |
| 155 | K | 92 | Very high | 90.5 | Very high | 136 Ų | 136 | 78.3 Ų | 78.3 | 59% | 0.591 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 96.5 | 171.4 | -172.5 | -177.3 | -169.7 | -178.3 | 0 | 109.8 | V137 Y139 | V137-K155 HydrophobicContact CG1-CD 4.27Å; V137-K155 VanDerWaalsContact CG1-CE 3.47Å; V137-K155 HydrophobicContact CG1-CG 3.77Å; Y139-K155 HydrophobicContact CD1-CB 4.02Å; Y139-K155 HydrophobicContact CD1-CG 4.11Å; Y139-K155 HydrophobicContact CE1-CB 3.89Å; Y139-K155 HydrophobicContact CE1-CD 4.12Å; Y139-K155 HydrophobicContact CE1-CG 3.66Å |
| 156 | I | 90.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -45.6 | -175.3 | -54.9 | -63.3 | 0 | 0 | 0 | 111.8 | E138 R140 E154 | E138-I156 HydrophobicContact CB-CB 4.27Å; E138-I156 HydrophobicContact CG-CB 4.42Å; E138-I156 WeakPolarHBondContact O-CB 3.23Å; E138-I156 PolarHBondContact O-N 3.31Å; R140-I156 HydrophobicContact CB-CD1 3.99Å; R140-I156 HydrophobicContact CB-CG1 3.93Å; E154-I156 HydrophobicContact CB-CD1 4.32Å; E154-I156 VanDerWaalsContact CD-CD1 3.43Å; E154-I156 HydrophobicContact CG-CD1 3.86Å; E154-I156 PolarHBondContact O-N 3.15Å; E154-I156 VanDerWaalsContact OE2-CD1 3.29Å; E154-I156 WeakPolarHBondContact OE2-CD1 3.17Å |
| 157 | G | 89.3 | Confident | 91.4 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.5 | -173.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V137 E138 | V137-G157 CarbonylContact C-O 3.54Å; V137-G157 WeakPolarHBondContact CA-O 3.26Å; V137-G157 WeakPolarHBondContact CG1-O 3.38Å; E138-G157 PolarHBondContact N-O 3.5Å; E138-G157 PolarHBondContact O-N 2.98Å |
| 158 | K | 90.5 | Very high | 91.9 | Very high | 203 Ų | 203 | 76.2 Ų | 76.2 | 88% | 0.883 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 135.3 | 174.8 | -68.6 | -175.9 | 179.5 | -178.1 | 0 | 110 | G136 | G136-K158 CarbonylContact O-C 2.86Å; G136-K158 WeakPolarHBondContact O-CA 3.27Å |
| 159 | T | 92.1 | Very high | 92.2 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | trans | -130.3 | 157.8 | -180 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | V133 G136 E138 K161 | V133-T159 HydrophobicContact CB-CG2 4.42Å; V133-T159 HydrophobicContact CG1-CG2 3.48Å; V133-T159 VanDerWaalsContact CG1-CG2 3.48Å; V133-T159 HydrophobicContact CG2-CG2 4.09Å; G136-T159 PolarHBondContact O-N 2.98Å; E138-T159 HydrophobicContact CB-CG2 3.9Å; E138-T159 PolarHBondContact OE2-OG1 2.56Å; T159-K161 HydrophobicContact CG2-CB 4.17Å; T159-K161 WeakPolarHBondContact OG1-CG 3.42Å; T159-K161 PolarHBondContact OG1-N 2.94Å | ||
| 160 | R | 90.1 | Very high | 92.5 | Very high | 253 Ų | 253 | 69.3 Ų | 69.3 | 96% | 0.955 | 35% | 0.353 | S | S | * | . | trans | -99.7 | -1.6 | 171.1 | -68.1 | -174.7 | -179.7 | 177.8 | 0.7 | 112.5 | ||||
| 161 | K | 89.6 | Confident | 92.7 | Very high | 109 Ų | 109 | 64.4 Ų | 64.4 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -58.9 | 147.7 | 174.4 | -67.6 | 177.3 | -172.1 | 168.1 | 0 | 109.7 | V133 E138 T159 | V133-K161 HydrophobicContact CG1-CB 4.37Å; V133-K161 HydrophobicContact CG2-CB 4.1Å; V133-K161 HydrophobicContact CG2-CD 4.33Å; E138-K161 VanDerWaalsContact CD-NZ 3.28Å; E138-K161 IonicContact OE1-NZ 2.85Å; E138-K161 PolarHBondContact OE1-NZ 3.46Å; E138-K161 WeakPolarHBondContact OE2-CD 3.4Å; E138-K161 WeakPolarHBondContact OE2-CE 3.45Å; E138-K161 IonicContact OE2-NZ 3.86Å; E138-K161 PolarHBondContact OE2-NZ 3.5Å; T159-K161 HydrophobicContact CG2-CB 4.17Å; T159-K161 WeakPolarHBondContact OG1-CG 3.42Å; T159-K161 PolarHBondContact OG1-N 2.94Å |
| 162 | P | 90.3 | Very high | 93 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 157.9 | 172.3 | 28.3 | -34.5 | 0 | 0 | 0 | 110.6 | K73 V133 | K73-P162 HydrophobicContact CD-CG 4.43Å; V133-P162 WeakPolarHBondContact CB-O 3.33Å; V133-P162 VanDerWaalsContact CG1-O 3.25Å; V133-P162 WeakPolarHBondContact CG1-O 3.07Å |
| 163 | N | 93.8 | Very high | 93 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -61.9 | 149 | 170.8 | -68.8 | -9.3 | 0 | 0 | 0 | 110.1 | K73 G74 V133 D135 | K73-N163 CarbonylContact C-O 3.58Å; K73-N163 WeakPolarHBondContact CA-O 3.3Å; G74-N163 CarbonylContact O-C 3.58Å; G74-N163 VanDerWaalsContact O-C 3.27Å; G74-N163 WeakPolarHBondContact O-CB 3.14Å; V133-N163 CarbonylContact O-C 3.56Å; V133-N163 WeakPolarHBondContact O-CA 3.34Å; D135-N163 PolarHBondContact N-OD1 2.74Å |
| 164 | G | 93.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 68 Ų | 68 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D72 V133 | D72-G164 VanDerWaalsContact O-CA 3.25Å; D72-G164 WeakPolarHBondContact O-CA 3.45Å; V133-G164 PolarHBondContact N-O 2.95Å; V133-G164 PolarHBondContact O-N 2.79Å |
| 165 | T | 95.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.7 | 171.8 | -42.7 | 0 | 0 | 0 | 0 | 109.5 | S71 D72 M77 V130 I132 V167 | S71-T165 WeakPolarHBondContact CA-O 3.44Å; D72-T165 PolarHBondContact N-O 3.38Å; D72-T165 WeakPolarHBondContact OD1-CA 3.21Å; D72-T165 WeakPolarHBondContact OD1-CB 3.38Å; D72-T165 PolarHBondContact OD1-N 2.63Å; D72-T165 VanDerWaalsContact OD1-N 3.17Å; D72-T165 VanDerWaalsContact OD1-O 3.09Å; D72-T165 PolarHBondContact OD2-N 2.85Å; M77-T165 HydrophobicContact CE-CG2 4.03Å; M77-T165 HydrophobicContact CG-CG2 4.21Å; M77-T165 PolarHBondContact N-OG1 3.45Å; M77-T165 HydrophobicContact SD-CG2 4.15Å; V130-T165 HydrophobicContact CG1-CG2 3.99Å; I132-T165 HydrophobicContact CG1-CG2 3.91Å; T165-V167 HydrophobicContact CG2-CG2 4.14Å |
| 166 | T | 96.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.8 | 170.8 | -51.1 | 0 | 0 | 0 | 0 | 108 | E69 V70 S71 V130 T131 | E69-T166 HydrophobicContact CG-CG2 3.59Å; V70-T166 WeakPolarHBondContact O-CA 3.39Å; S71-T166 PolarHBondContact OG-OG1 3.24Å; V130-T166 CarbonylContact C-O 3.49Å; V130-T166 WeakPolarHBondContact CA-O 3.24Å; T131-T166 PolarHBondContact N-O 2.93Å; T131-T166 PolarHBondContact O-N 2.87Å |
| 167 | V | 97.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.4 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | I42 E69 V70 F93 L128 N129 T165 F169 | I42-V167 HydrophobicContact CD1-CG1 4.15Å; I42-V167 HydrophobicContact CG1-CG1 4.32Å; I42-V167 HydrophobicContact CG2-CB 3.77Å; I42-V167 HydrophobicContact CG2-CG1 4.15Å; I42-V167 HydrophobicContact CG2-CG2 4.07Å; E69-V167 CarbonylContact C-O 3.57Å; E69-V167 WeakPolarHBondContact CA-O 3.44Å; V70-V167 PolarHBondContact N-O 3.47Å; V70-V167 PolarHBondContact O-N 2.88Å; F93-V167 HydrophobicContact CE1-CG1 4.3Å; F93-V167 HydrophobicContact CZ-CG1 4.45Å; F93-V167 HydrophobicContact CZ-CG2 3.9Å; L128-V167 HydrophobicContact CD1-CG1 3.97Å; L128-V167 HydrophobicContact CD2-CG1 4.18Å; L128-V167 HydrophobicContact CG-CG1 4.05Å; N129-V167 WeakPolarHBondContact O-CA 3.29Å; T165-V167 HydrophobicContact CG2-CG2 4.14Å; V167-F169 HydrophobicContact CG1-CD1 4.37Å |
| 168 | H | 97.7 | Very high | 91.6 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.2 | 178.7 | -173.8 | -165.9 | 0 | 0 | 0 | 108.6 | H63 S67 V68 E69 W127 L128 N129 | H63-H168 AromaticContact CD2-NE2 3.59Å; H63-H168 AromaticContact NE2-NE2 3.78Å; S67-H168 PolarHBondContact OG-NE2 2.87Å; V68-H168 WeakPolarHBondContact O-CA 3.48Å; V68-H168 PolarHBondContact O-CD2 2.9Å; E69-H168 HydrophobicContact CB-CB 4.3Å; E69-H168 HydrophobicContact CG-CB 4.18Å; W127-H168 AromaticContact CH2-CD2 3.69Å; W127-H168 AromaticContact CH2-CE1 3.63Å; W127-H168 AromaticContact CH2-CG 3.84Å; W127-H168 AromaticContact CH2-ND1 3.78Å; W127-H168 AromaticContact CH2-NE2 3.56Å; W127-H168 HydrophobicContact CZ3-CB 4.31Å; W127-H168 AromaticContact CZ3-CG 3.83Å; W127-H168 AromaticContact CZ3-ND1 3.95Å; W127-H168 VanDerWaalsContact CZ3-O 3.31Å; W127-H168 WeakPolarHBondContact CZ3-O 3.43Å; L128-H168 CarbonylContact C-O 3.59Å; L128-H168 WeakPolarHBondContact CA-O 3.36Å; N129-H168 PolarHBondContact N-O 3.47Å; N129-H168 PolarHBondContact O-N 2.77Å |
| 169 | F | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.6 | -175.6 | 70.5 | -83.5 | 0 | 0 | 0 | 112.7 | L38 V39 I42 S67 V68 V121 S125 W127 L128 V167 P171 | L38-F169 HydrophobicContact CB-CE2 3.82Å; L38-F169 HydrophobicContact CB-CZ 3.97Å; L38-F169 HydrophobicContact CD1-CE2 4.07Å; V39-F169 HydrophobicContact CG2-CZ 4.11Å; I42-F169 HydrophobicContact CG1-CD1 4.46Å; I42-F169 HydrophobicContact CG1-CE1 4Å; S67-F169 WeakPolarHBondContact CA-O 3.45Å; S67-F169 WeakPolarHBondContact CB-O 3.46Å; V68-F169 HydrophobicContact CB-CE1 4.08Å; V68-F169 HydrophobicContact CB-CZ 4.16Å; V68-F169 HydrophobicContact CG1-CE1 4.45Å; V68-F169 PolarHBondContact N-O 2.91Å; V68-F169 WeakPolarHBondContact O-CD1 3.26Å; V68-F169 PolarHBondContact O-N 3.24Å; V121-F169 HydrophobicContact CG1-CD1 4.08Å; V121-F169 HydrophobicContact CG1-CD2 3.79Å; V121-F169 HydrophobicContact CG1-CE1 4.13Å; V121-F169 HydrophobicContact CG1-CE2 3.85Å; V121-F169 HydrophobicContact CG1-CG 3.91Å; V121-F169 HydrophobicContact CG1-CZ 4.02Å; S125-F169 WeakPolarHBondContact OG-CD2 3.28Å; W127-F169 WeakPolarHBondContact O-CA 3.2Å; L128-F169 HydrophobicContact CB-CB 4.01Å; L128-F169 HydrophobicContact CD1-CB 3.89Å; L128-F169 HydrophobicContact CG-CB 3.89Å; V167-F169 HydrophobicContact CG1-CD1 4.37Å; F169-P171 HydrophobicContact CD2-CG 4.31Å; F169-P171 HydrophobicContact CE2-CG 4.07Å |
| 170 | L | 96.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.7 | 171.9 | -178.7 | 67.8 | 0 | 0 | 0 | 109.3 | D65 S125 E126 W127 | D65-L170 VanDerWaalsContact O-CD1 3.32Å; D65-L170 WeakPolarHBondContact O-CD1 3.39Å; S125-L170 CarbonylContact C-O 3.55Å; S125-L170 WeakPolarHBondContact CA-O 3.5Å; S125-L170 VanDerWaalsContact CB-O 3.28Å; S125-L170 WeakPolarHBondContact CB-O 3.41Å; E126-L170 PolarHBondContact N-O 3.43Å; W127-L170 HydrophobicContact CD2-CB 4.08Å; W127-L170 HydrophobicContact CG-CB 4.42Å; W127-L170 HydrophobicContact CH2-CB 4.4Å; W127-L170 HydrophobicContact CZ2-CB 3.6Å; W127-L170 HydrophobicContact CZ2-CD2 4.49Å; W127-L170 VanDerWaalsContact NE1-CD2 3.32Å; W127-L170 PolarHBondContact O-N 2.69Å; W127-L170 VanDerWaalsContact O-N 3.09Å |
| 171 | P | 95 | Very high | 91 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 145.4 | 175.7 | -20.8 | 31.5 | 0 | 0 | 0 | 112.4 | L35 L38 F169 A173 F176 L179 F181 | L35-P171 HydrophobicContact CD1-CB 3.65Å; L35-P171 HydrophobicContact CD1-CG 3.64Å; L38-P171 HydrophobicContact CD1-CB 4.07Å; L38-P171 HydrophobicContact CD1-CG 4.11Å; F169-P171 HydrophobicContact CD2-CG 4.31Å; F169-P171 HydrophobicContact CE2-CG 4.07Å; P171-A173 PolarHBondContact O-N 2.86Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.02Å; P171-L179 HydrophobicContact CB-CD2 3.93Å; P171-F181 HydrophobicContact CG-CE2 4.03Å; P171-F181 HydrophobicContact CG-CZ 3.67Å |
| 172 | D | 92.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | trans | -77.4 | 118.1 | -176.7 | -167.1 | -32.7 | 0 | 0 | 0 | 112.2 | R20 L124 Q174 I175 F176 | R20-D172 IonicContact CZ-OD2 3.89Å; R20-D172 VanDerWaalsContact CZ-OD2 3.31Å; R20-D172 IonicContact NH1-OD2 2.8Å; R20-D172 PolarHBondContact NH1-OD2 2.99Å; R20-D172 IonicContact NH2-OD2 2.74Å; R20-D172 PolarHBondContact NH2-OD2 3.28Å; L124-D172 WeakPolarHBondContact O-CB 3.35Å; L124-D172 PolarHBondContact O-N 3.28Å; D172-Q174 PolarHBondContact O-N 2.94Å; D172-Q174 VanDerWaalsContact O-N 3.1Å; D172-Q174 VanDerWaalsContact OD1-CB 3.3Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.4Å; D172-Q174 WeakPolarHBondContact OD1-CG 3.34Å; D172-Q174 PolarHBondContact OD1-N 3.18Å; D172-I175 HydrophobicContact CB-CB 4.48Å; D172-I175 HydrophobicContact CB-CD1 4.12Å; D172-I175 HydrophobicContact CB-CG1 4.19Å; D172-I175 PolarHBondContact O-N 3.19Å; D172-F176 PolarHBondContact O-N 2.69Å | ||
| 173 | A | 88.9 | Confident | 90.7 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 49% | 0.488 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P171 I175 L179 | P171-A173 PolarHBondContact O-N 2.86Å; A173-I175 VanDerWaalsContact C-N 3.31Å; A173-L179 HydrophobicContact CB-CD1 3.9Å |
| 174 | Q | 87.4 | Confident | 90.2 | Very high | 175 Ų | 175 | 40.5 Ų | 40.5 | 82% | 0.818 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.7 | 177.6 | -58.7 | -177.3 | 3.4 | 0 | 0 | 112.9 | D172 | D172-Q174 PolarHBondContact O-N 2.94Å; D172-Q174 VanDerWaalsContact O-N 3.1Å; D172-Q174 VanDerWaalsContact OD1-CB 3.3Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.4Å; D172-Q174 WeakPolarHBondContact OD1-CG 3.34Å; D172-Q174 PolarHBondContact OD1-N 3.18Å |
| 175 | I | 86.7 | Confident | 89.7 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -43 | -175.4 | -62.1 | -178.6 | 0 | 0 | 0 | 111.4 | R20 P23 T30 L124 D172 A173 | R20-I175 HydrophobicContact CG-CD1 4.28Å; P23-I175 HydrophobicContact CB-CG2 4.03Å; P23-I175 HydrophobicContact CG-CG2 3.9Å; T30-I175 WeakPolarHBondContact CB-O 3.18Å; T30-I175 HydrophobicContact CG2-CG2 3.97Å; L124-I175 HydrophobicContact CD2-CD1 3.75Å; L124-I175 HydrophobicContact CD2-CG2 4.29Å; D172-I175 HydrophobicContact CB-CB 4.48Å; D172-I175 HydrophobicContact CB-CD1 4.12Å; D172-I175 HydrophobicContact CB-CG1 4.19Å; D172-I175 PolarHBondContact O-N 3.19Å; A173-I175 VanDerWaalsContact C-N 3.31Å |
| 176 | F | 87.3 | Confident | 89.4 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -93.8 | 142.8 | -175.7 | -67.3 | -84.5 | 0 | 0 | 0 | 111.9 | I27 T30 L35 L38 L124 P171 D172 T178 L179 | I27-F176 HydrophobicContact CD1-CE1 3.53Å; I27-F176 HydrophobicContact CD1-CZ 3.58Å; T30-F176 VanDerWaalsContact O-CA 3.31Å; T30-F176 WeakPolarHBondContact O-CA 3.28Å; T30-F176 WeakPolarHBondContact O-CD1 3.43Å; L35-F176 HydrophobicContact CB-CD1 4.08Å; L35-F176 HydrophobicContact CB-CE1 4.31Å; L35-F176 HydrophobicContact CD1-CB 4.4Å; L35-F176 HydrophobicContact CD1-CD1 4.06Å; L35-F176 HydrophobicContact CD1-CD2 4.29Å; L35-F176 HydrophobicContact CD1-CE1 4.45Å; L35-F176 HydrophobicContact CD1-CG 3.98Å; L38-F176 HydrophobicContact CD1-CE1 4.49Å; L38-F176 HydrophobicContact CD1-CE2 3.77Å; L38-F176 HydrophobicContact CD1-CZ 3.55Å; L38-F176 HydrophobicContact CD2-CZ 4.28Å; L38-F176 HydrophobicContact CG-CZ 4.02Å; L124-F176 HydrophobicContact CB-CE2 4.1Å; L124-F176 HydrophobicContact CB-CZ 4.32Å; L124-F176 HydrophobicContact CD1-CZ 4.3Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.02Å; D172-F176 PolarHBondContact O-N 2.69Å; F176-T178 VanDerWaalsContact C-N 3.27Å; F176-T178 WeakPolarHBondContact CB-O 3.25Å; F176-T178 PolarHBondContact O-N 3.19Å; F176-L179 HydrophobicContact CB-CD2 4.35Å | ||
| 177 | S | 81.2 | Confident | 89.1 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 60% | 0.601 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -74.1 | -19.9 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | T30 | T30-S177 PolarHBondContact O-N 3.43Š|
| 178 | T | 83 | Confident | 88.4 | Confident | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | trans | -144.8 | 149.8 | 176 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | F176 N180 | F176-T178 VanDerWaalsContact C-N 3.27Å; F176-T178 WeakPolarHBondContact CB-O 3.25Å; F176-T178 PolarHBondContact O-N 3.19Å; T178-N180 PolarHBondContact OG1-N 3.21Å | ||
| 179 | L | 85.9 | Confident | 87.8 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | trans | -111.4 | 1.2 | 173.1 | -62.3 | 179.1 | 0 | 0 | 0 | 112.4 | L35 N66 P171 A173 F176 F181 | L35-L179 HydrophobicContact CD1-CD2 4.36Å; N66-L179 HydrophobicContact CB-CB 4.35Å; N66-L179 WeakPolarHBondContact CB-O 3.42Å; P171-L179 HydrophobicContact CB-CD2 3.93Å; A173-L179 HydrophobicContact CB-CD1 3.9Å; F176-L179 HydrophobicContact CB-CD2 4.35Å; L179-F181 PolarHBondContact O-N 3.21Å | ||
| 180 | N | 85.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 43.6 Ų | 43.6 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | trans | -81.9 | 107.4 | -177.2 | -70.7 | -19.7 | 0 | 0 | 0 | 110.1 | N66 T178 | N66-N180 PolarHBondContact ND2-OD1 3.39Å; T178-N180 PolarHBondContact OG1-N 3.21Å | ||
| 181 | F | 89.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | trans | -69.1 | 129.3 | 168 | -67.4 | -80.6 | 0 | 0 | 0 | 110.5 | L35 V39 L62 N66 V68 P171 L179 L186 R208 | L35-F181 HydrophobicContact CD1-CE1 4.27Å; L35-F181 HydrophobicContact CD1-CE2 4.47Å; L35-F181 HydrophobicContact CD1-CZ 3.94Å; L35-F181 HydrophobicContact CD2-CD1 4.09Å; L35-F181 HydrophobicContact CD2-CD2 4.45Å; L35-F181 HydrophobicContact CD2-CE1 4.04Å; L35-F181 HydrophobicContact CD2-CE2 4.38Å; L35-F181 HydrophobicContact CD2-CG 4.31Å; L35-F181 HydrophobicContact CD2-CZ 4.2Å; L35-F181 HydrophobicContact CG-CD1 4.12Å; L35-F181 HydrophobicContact CG-CE1 3.61Å; L35-F181 HydrophobicContact CG-CE2 4.39Å; L35-F181 HydrophobicContact CG-CZ 3.78Å; V39-F181 HydrophobicContact CG2-CD1 3.99Å; V39-F181 HydrophobicContact CG2-CE1 3.43Å; V39-F181 VanDerWaalsContact CG2-CE1 3.43Å; V39-F181 HydrophobicContact CG2-CZ 4.12Å; L62-F181 HydrophobicContact CD1-CB 4.14Å; L62-F181 HydrophobicContact CD2-CB 3.96Å; L62-F181 HydrophobicContact CD2-CD2 4.35Å; L62-F181 HydrophobicContact CD2-CG 4.12Å; N66-F181 VanDerWaalsContact O-CE2 3.29Å; N66-F181 WeakPolarHBondContact O-CE2 3.5Å; V68-F181 HydrophobicContact CG2-CD1 4.27Å; V68-F181 HydrophobicContact CG2-CD2 3.64Å; V68-F181 HydrophobicContact CG2-CE1 3.94Å; V68-F181 HydrophobicContact CG2-CE2 3.27Å; V68-F181 HydrophobicContact CG2-CG 4.12Å; V68-F181 HydrophobicContact CG2-CZ 3.42Å; V68-F181 VanDerWaalsContact CG2-CZ 3.42Å; P171-F181 HydrophobicContact CG-CE2 4.03Å; P171-F181 HydrophobicContact CG-CZ 3.67Å; L179-F181 PolarHBondContact O-N 3.21Å; F181-L186 HydrophobicContact CB-CD1 4.18Å; F181-L186 HydrophobicContact CD1-CD1 4.35Å; F181-R208 VanDerWaalsContact O-CZ 3.27Å; F181-R208 PolarHBondContact O-NH1 2.89Å; F181-R208 PolarHBondContact O-NH2 3.48Å | ||
| 182 | S | 86.1 | Confident | 86.9 | Confident | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | trans | -77 | 117.2 | 169.6 | 167 | 0 | 0 | 0 | 0 | 108.9 | H36 E184 T185 L186 | H36-S182 PolarHBondContact CE1-N 3.39Å; H36-S182 WeakPolarHBondContact NE2-CB 3.48Å; H36-S182 PolarHBondContact NE2-N 2.92Å; S182-E184 VanDerWaalsContact C-N 3.27Å; S182-E184 PolarHBondContact O-N 3.41Å; S182-T185 WeakPolarHBondContact CB-OG1 3.38Å; S182-T185 PolarHBondContact O-N 3.38Å; S182-T185 WeakPolarHBondContact OG-CB 3.46Å; S182-T185 PolarHBondContact OG-N 3.05Å; S182-T185 VanDerWaalsContact OG-N 3.11Å; S182-T185 PolarHBondContact OG-OG1 2.71Å; S182-L186 PolarHBondContact O-N 3.46Å | ||
| 183 | Y | 86.9 | Confident | 86.6 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 178 | 174.8 | -93.3 | 0 | 0 | 0 | 110.5 | L62 L186 S187 L204 D206 V213 E215 | L62-Y183 HydrophobicContact CD1-CD2 4.49Å; Y183-L186 PolarHBondContact O-N 3.06Å; Y183-S187 WeakPolarHBondContact O-CB 3.17Å; Y183-S187 PolarHBondContact O-N 2.97Å; Y183-L204 HydrophobicContact CD2-CD2 3.71Å; Y183-L204 HydrophobicContact CD2-CG 4.05Å; Y183-L204 HydrophobicContact CE2-CD2 3.46Å; Y183-L204 VanDerWaalsContact CE2-CD2 3.46Å; Y183-L204 HydrophobicContact CE2-CG 3.58Å; Y183-L204 HydrophobicContact CG-CD2 4.39Å; Y183-D206 HydrophobicContact CD2-CB 3.66Å; Y183-D206 HydrophobicContact CE2-CB 4Å; Y183-V213 HydrophobicContact CE1-CG1 4.05Å; Y183-V213 HydrophobicContact CE2-CG1 4.32Å; Y183-E215 WeakPolarHBondContact CE1-OE1 2.83Å; Y183-E215 WeakPolarHBondContact OH-CB 3.18Å; Y183-E215 VanDerWaalsContact OH-CG 3.26Å; Y183-E215 WeakPolarHBondContact OH-CG 3.4Å; Y183-E215 PolarHBondContact OH-OE1 3.28Å |
| 184 | E | 83.2 | Confident | 86.6 | Confident | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.603 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.2 | -46 | 179.9 | -65.7 | 72.6 | -162.2 | 0 | 0 | 111.2 | S182 L186 S187 E188 | S182-E184 VanDerWaalsContact C-N 3.27Å; S182-E184 PolarHBondContact O-N 3.41Å; E184-L186 PolarHBondContact O-N 2.95Å; E184-S187 PolarHBondContact O-N 2.71Å; E184-E188 WeakPolarHBondContact O-CB 3.39Å; E184-E188 PolarHBondContact O-N 3.34Å |
| 185 | T | 82.5 | Confident | 86.8 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 31% | 0.307 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | S182 R189 | S182-T185 WeakPolarHBondContact CB-OG1 3.38Å; S182-T185 PolarHBondContact O-N 3.38Å; S182-T185 WeakPolarHBondContact OG-CB 3.46Å; S182-T185 PolarHBondContact OG-N 3.05Å; S182-T185 VanDerWaalsContact OG-N 3.11Å; S182-T185 PolarHBondContact OG-OG1 2.71Å; T185-R189 PolarHBondContact O-N 3.41Å |
| 186 | L | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.8 | -44.7 | 174.5 | -68.5 | 176.9 | 0 | 0 | 0 | 112.1 | V39 Y40 L62 F181 S182 Y183 E184 E188 R189 L190 L204 | V39-L186 HydrophobicContact CB-CD2 4.11Å; V39-L186 HydrophobicContact CG1-CD2 4.01Å; V39-L186 HydrophobicContact CG2-CD2 4.36Å; Y40-L186 HydrophobicContact CE1-CD2 3.71Å; L62-L186 HydrophobicContact CD1-CD1 4.01Å; L62-L186 HydrophobicContact CD2-CD1 3.69Å; L62-L186 HydrophobicContact CG-CD1 4.28Å; F181-L186 HydrophobicContact CB-CD1 4.18Å; F181-L186 HydrophobicContact CD1-CD1 4.35Å; S182-L186 PolarHBondContact O-N 3.46Å; Y183-L186 PolarHBondContact O-N 3.06Å; E184-L186 PolarHBondContact O-N 2.95Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 2.76Å; L186-R189 PolarHBondContact O-N 2.72Å; L186-L190 VanDerWaalsContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.8Å; L186-L204 HydrophobicContact CB-CD1 4.42Å; L186-L204 HydrophobicContact CB-CD2 4.06Å |
| 187 | S | 89.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | Y183 E184 R191 E215 F217 | Y183-S187 WeakPolarHBondContact O-CB 3.17Å; Y183-S187 PolarHBondContact O-N 2.97Å; E184-S187 PolarHBondContact O-N 2.71Å; S187-R191 WeakPolarHBondContact O-CB 3.32Å; S187-R191 PolarHBondContact O-N 3.42Å; S187-R191 PolarHBondContact OG-NH2 2.62Å; S187-E215 PolarHBondContact OG-OE2 3.04Å; S187-F217 WeakPolarHBondContact OG-CZ 3.46Å |
| 188 | E | 83.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -51.8 | 177.7 | -172.5 | 165.1 | -149.8 | 0 | 0 | 111.6 | E184 L186 L190 R191 E192 Q608 | E184-E188 WeakPolarHBondContact O-CB 3.39Å; E184-E188 PolarHBondContact O-N 3.34Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 2.76Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 3.36Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 2.93Å; E188-E192 WeakPolarHBondContact O-CG 3.39Å; E188-E192 PolarHBondContact O-N 3.02Å; E188-Q608 PolarHBondContact OE2-NE2 2.99Å |
| 189 | R | 85.3 | Confident | 87.1 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -178.3 | -175.2 | 59.7 | -179.7 | 155.6 | 10.3 | 113.2 | Y40 T185 L186 E192 S193 N272 | Y40-R189 HydrophobicContact CD1-CG 3.89Å; Y40-R189 HydrophobicContact CE1-CB 3.76Å; Y40-R189 HydrophobicContact CE1-CG 3.44Å; Y40-R189 VanDerWaalsContact CE1-CG 3.44Å; Y40-R189 HydrophobicContact CE2-CG 4.29Å; Y40-R189 HydrophobicContact CG-CG 4.49Å; T185-R189 PolarHBondContact O-N 3.41Å; L186-R189 PolarHBondContact O-N 2.72Å; R189-E192 IonicContact CZ-OE2 3.7Å; R189-E192 IonicContact NH1-OE2 3.85Å; R189-E192 PolarHBondContact NH1-OE2 2.66Å; R189-S193 PolarHBondContact O-N 3.34Å; R189-S193 PolarHBondContact O-OG 3.31Å; R189-N272 PolarHBondContact NH2-O 3.41Å |
| 190 | L | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -37.4 | 176.8 | -69.3 | 176.4 | 0 | 0 | 0 | 111.4 | V43 V60 L186 E188 S193 A194 I202 L204 F217 | V43-L190 HydrophobicContact CG1-CD2 3.87Å; V43-L190 HydrophobicContact CG2-CD2 4.1Å; V60-L190 HydrophobicContact CB-CD1 3.97Å; V60-L190 HydrophobicContact CG1-CD1 4.32Å; V60-L190 HydrophobicContact CG2-CD1 3.84Å; V60-L190 HydrophobicContact CG2-CD2 4.12Å; L186-L190 VanDerWaalsContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.8Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 3.36Å; L190-S193 PolarHBondContact O-N 2.94Å; L190-A194 WeakPolarHBondContact O-CB 3.24Å; L190-A194 PolarHBondContact O-N 3.34Å; L190-I202 HydrophobicContact CB-CG2 4Å; L190-I202 HydrophobicContact CD1-CG2 4.36Å; L190-I202 HydrophobicContact CD2-CG2 4.06Å; L190-I202 HydrophobicContact CG-CG2 4.36Å; L190-L204 HydrophobicContact CD1-CB 4.04Å; L190-L204 HydrophobicContact CD1-CD1 3.86Å; L190-L204 HydrophobicContact CD1-CD2 4.28Å; L190-L204 HydrophobicContact CD1-CG 4.27Å; L190-F217 HydrophobicContact CB-CD2 4.07Å; L190-F217 HydrophobicContact CB-CE2 3.98Å |
| 191 | R | 90.2 | Very high | 87.7 | Confident | 49 Ų | 49 | 33.7 Ų | 33.7 | 19% | 0.185 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.3 | -169.5 | -168.1 | -50.7 | -87.6 | -8.1 | 111.5 | S187 E188 S193 A194 F195 E215 F217 F219 | S187-R191 WeakPolarHBondContact O-CB 3.32Å; S187-R191 PolarHBondContact O-N 3.42Å; S187-R191 PolarHBondContact OG-NH2 2.62Å; E188-R191 WeakPolarHBondContact O-CB 3.36Å; E188-R191 PolarHBondContact O-N 2.93Å; R191-S193 VanDerWaalsContact C-N 3.28Å; R191-S193 PolarHBondContact O-N 2.64Å; R191-A194 PolarHBondContact O-N 3.49Å; R191-F195 HydrophobicContact CG-CD2 4.26Å; R191-F195 HydrophobicContact CG-CE2 3.66Å; R191-F195 HydrophobicContact CG-CZ 4.14Å; R191-F195 VanDerWaalsContact O-CD2 3.22Å; R191-F195 WeakPolarHBondContact O-CD2 3.27Å; R191-F195 PolarHBondContact O-N 3.02Å; R191-E215 IonicContact CZ-OE2 2.86Å; R191-E215 IonicContact NH1-OE2 3.2Å; R191-E215 IonicContact NH2-OE2 3.17Å; R191-E215 PolarHBondContact NH2-OE2 3.13Å; R191-F217 HydrophobicContact CB-CD1 4Å; R191-F217 HydrophobicContact CB-CD2 4.3Å; R191-F217 HydrophobicContact CB-CE1 4.14Å; R191-F217 HydrophobicContact CB-CE2 4.38Å; R191-F217 HydrophobicContact CB-CG 4.11Å; R191-F217 HydrophobicContact CB-CZ 4.32Å; R191-F217 HydrophobicContact CG-CD1 3.92Å; R191-F217 HydrophobicContact CG-CE1 4.27Å; R191-F217 HydrophobicContact CG-CG 4.33Å; R191-F219 HydrophobicContact CG-CE2 3.82Å; R191-F219 HydrophobicContact CG-CZ 3.88Å |
| 192 | E | 87.5 | Confident | 87.9 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.7 | -46.3 | 172.5 | -68 | -166.7 | 146.7 | 0 | 0 | 111.4 | E188 R189 A194 F195 L196 F226 | E188-E192 WeakPolarHBondContact O-CG 3.39Å; E188-E192 PolarHBondContact O-N 3.02Å; R189-E192 IonicContact CZ-OE2 3.7Å; R189-E192 IonicContact NH1-OE2 3.85Å; R189-E192 PolarHBondContact NH1-OE2 2.66Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.84Å; E192-F195 WeakPolarHBondContact O-CB 3.2Å; E192-F195 PolarHBondContact O-N 2.95Å; E192-L196 WeakPolarHBondContact O-CG 3.48Å; E192-L196 PolarHBondContact O-N 2.93Å; E192-L196 VanDerWaalsContact O-N 3.16Å; E192-F226 HydrophobicContact CB-CE1 4.43Å; E192-F226 HydrophobicContact CB-CZ 4.2Å; E192-F226 HydrophobicContact CG-CE1 4.42Å; E192-F226 HydrophobicContact CG-CE2 4.42Å; E192-F226 HydrophobicContact CG-CZ 3.73Å |
| 193 | S | 87.6 | Confident | 88.4 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | R189 L190 R191 F195 L196 L197 | R189-S193 PolarHBondContact O-N 3.34Å; R189-S193 PolarHBondContact O-OG 3.31Å; L190-S193 PolarHBondContact O-N 2.94Å; R191-S193 VanDerWaalsContact C-N 3.28Å; R191-S193 PolarHBondContact O-N 2.64Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 2.7Å; S193-L196 PolarHBondContact O-N 2.92Å; S193-L197 WeakPolarHBondContact O-CB 3.38Å; S193-L197 WeakPolarHBondContact O-CD1 3.39Å; S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.15Å; S193-L197 PolarHBondContact O-N 3.29Å |
| 194 | A | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L190 R191 E192 L196 L197 I202 F217 F219 | L190-A194 WeakPolarHBondContact O-CB 3.24Å; L190-A194 PolarHBondContact O-N 3.34Å; R191-A194 PolarHBondContact O-N 3.49Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.84Å; A194-L196 VanDerWaalsContact C-N 3.35Å; A194-L197 CarbonylContact O-C 3.44Å; A194-L197 PolarHBondContact O-N 3.24Å; A194-L197 VanDerWaalsContact O-O 3.13Å; A194-I202 HydrophobicContact CB-CB 4.4Å; A194-I202 HydrophobicContact CB-CD1 3.94Å; A194-I202 HydrophobicContact CB-CG1 4.09Å; A194-F217 HydrophobicContact CB-CB 3.57Å; A194-F219 HydrophobicContact CB-CD2 3.71Å; A194-F219 HydrophobicContact CB-CE2 3.9Å |
| 195 | F | 90.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.022 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.1 | -74.9 | -53.2 | 0 | 0 | 0 | 112.7 | R191 E192 S193 L197 F219 G222 I223 E225 F226 Y229 | R191-F195 HydrophobicContact CG-CD2 4.26Å; R191-F195 HydrophobicContact CG-CE2 3.66Å; R191-F195 HydrophobicContact CG-CZ 4.14Å; R191-F195 VanDerWaalsContact O-CD2 3.22Å; R191-F195 WeakPolarHBondContact O-CD2 3.27Å; R191-F195 PolarHBondContact O-N 3.02Å; E192-F195 WeakPolarHBondContact O-CB 3.2Å; E192-F195 PolarHBondContact O-N 2.95Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 2.7Å; F195-L197 VanDerWaalsContact C-N 3.25Å; F195-L197 PolarHBondContact O-N 3.08Å; F195-F219 HydrophobicContact CD1-CB 4.02Å; F195-F219 AromaticContact CD1-CD1 3.96Å; F195-F219 HydrophobicContact CD1-CD1 3.96Å; F195-F219 AromaticContact CD1-CD2 3.35Å; F195-F219 HydrophobicContact CD1-CD2 3.35Å; F195-F219 HydrophobicContact CD1-CE1 4.26Å; F195-F219 AromaticContact CD1-CE2 3.68Å; F195-F219 HydrophobicContact CD1-CE2 3.68Å; F195-F219 AromaticContact CD1-CG 3.5Å; F195-F219 HydrophobicContact CD1-CG 3.5Å; F195-F219 VanDerWaalsContact CD1-CG 3.5Å; F195-F219 HydrophobicContact CD1-CZ 4.13Å; F195-F219 HydrophobicContact CD2-CE2 4.29Å; F195-F219 HydrophobicContact CE1-CB 4.43Å; F195-F219 AromaticContact CE1-CD1 3.51Å; F195-F219 HydrophobicContact CE1-CD1 3.51Å; F195-F219 AromaticContact CE1-CD2 3.56Å; F195-F219 HydrophobicContact CE1-CD2 3.56Å; F195-F219 AromaticContact CE1-CE1 3.46Å; F195-F219 HydrophobicContact CE1-CE1 3.46Å; F195-F219 VanDerWaalsContact CE1-CE1 3.46Å; F195-F219 AromaticContact CE1-CE2 3.5Å; F195-F219 HydrophobicContact CE1-CE2 3.5Å; F195-F219 AromaticContact CE1-CG 3.56Å; F195-F219 HydrophobicContact CE1-CG 3.56Å; F195-F219 AromaticContact CE1-CZ 3.46Å; F195-F219 HydrophobicContact CE1-CZ 3.46Å; F195-F219 VanDerWaalsContact CE1-CZ 3.46Å; F195-F219 HydrophobicContact CE2-CE2 4.16Å; F195-F219 HydrophobicContact CE2-CZ 4.28Å; F195-F219 AromaticContact CG-CD2 3.9Å; F195-F219 HydrophobicContact CG-CD2 3.9Å; F195-F219 HydrophobicContact CG-CE2 4.06Å; F195-F219 HydrophobicContact CG-CG 4.46Å; F195-F219 HydrophobicContact CZ-CD1 4.39Å; F195-F219 HydrophobicContact CZ-CD2 4.28Å; F195-F219 AromaticContact CZ-CE1 3.89Å; F195-F219 HydrophobicContact CZ-CE1 3.89Å; F195-F219 AromaticContact CZ-CE2 3.76Å; F195-F219 HydrophobicContact CZ-CE2 3.76Å; F195-F219 AromaticContact CZ-CZ 3.55Å; F195-F219 HydrophobicContact CZ-CZ 3.55Å; F195-G222 CarbonylContact O-C 3.55Å; F195-G222 WeakPolarHBondContact O-CA 3.49Å; F195-I223 PolarHBondContact O-N 3.13Å; F195-E225 HydrophobicContact CD1-CB 4.02Å; F195-E225 VanDerWaalsContact CE1-C 3.45Å; F195-E225 HydrophobicContact CE1-CB 3.7Å; F195-F226 HydrophobicContact CB-CB 3.72Å; F195-F226 HydrophobicContact CB-CD1 3.66Å; F195-F226 HydrophobicContact CB-CE1 4.42Å; F195-F226 HydrophobicContact CB-CG 3.75Å; F195-F226 HydrophobicContact CD1-CB 3.8Å; F195-F226 HydrophobicContact CD1-CG 4.35Å; F195-F226 HydrophobicContact CD2-CB 3.79Å; F195-F226 AromaticContact CD2-CD1 3.91Å; F195-F226 HydrophobicContact CD2-CD1 3.91Å; F195-F226 AromaticContact CD2-CD2 3.36Å; F195-F226 HydrophobicContact CD2-CD2 3.36Å; F195-F226 HydrophobicContact CD2-CE1 4.35Å; F195-F226 AromaticContact CD2-CE2 3.87Å; F195-F226 HydrophobicContact CD2-CE2 3.87Å; F195-F226 AromaticContact CD2-CG 3.4Å; F195-F226 HydrophobicContact CD2-CG 3.4Å; F195-F226 VanDerWaalsContact CD2-CG 3.4Å; F195-F226 HydrophobicContact CD2-CZ 4.34Å; F195-F226 HydrophobicContact CE1-CB 4.35Å; F195-F226 HydrophobicContact CE2-CB 4.32Å; F195-F226 AromaticContact CE2-CD2 3.58Å; F195-F226 HydrophobicContact CE2-CD2 3.58Å; F195-F226 HydrophobicContact CE2-CE2 4.12Å; F195-F226 HydrophobicContact CE2-CG 4.03Å; F195-F226 HydrophobicContact CG-CB 3.51Å; F195-F226 HydrophobicContact CG-CD1 4.02Å; F195-F226 HydrophobicContact CG-CD2 4.05Å; F195-F226 AromaticContact CG-CG 3.6Å; F195-F226 HydrophobicContact CG-CG 3.6Å; F195-F226 HydrophobicContact CZ-CD2 4.42Å; F195-Y229 AromaticContact CE2-CD1 3.89Å; F195-Y229 HydrophobicContact CE2-CD1 3.89Å; F195-Y229 HydrophobicContact CE2-CG 4.06Å; F195-Y229 HydrophobicContact CZ-CD1 4.24Å; F195-Y229 AromaticContact CZ-CG 3.92Å; F195-Y229 HydrophobicContact CZ-CG 3.92Å |
| 196 | L | 88.1 | Confident | 89.9 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.7 | -20.5 | 178.7 | -61.6 | 168.9 | 0 | 0 | 0 | 112.4 | E192 S193 A194 I223 F269 N272 | E192-L196 WeakPolarHBondContact O-CG 3.48Å; E192-L196 PolarHBondContact O-N 2.93Å; E192-L196 VanDerWaalsContact O-N 3.16Å; S193-L196 PolarHBondContact O-N 2.92Å; A194-L196 VanDerWaalsContact C-N 3.35Å; L196-I223 HydrophobicContact CD2-CG2 3.94Å; L196-F269 HydrophobicContact CD1-CB 4.37Å; L196-F269 HydrophobicContact CD1-CD1 3.46Å; L196-F269 VanDerWaalsContact CD1-CD1 3.46Å; L196-F269 HydrophobicContact CD1-CD2 4.31Å; L196-F269 HydrophobicContact CD1-CE1 3.7Å; L196-F269 HydrophobicContact CD1-CE2 4.5Å; L196-F269 HydrophobicContact CD1-CG 3.8Å; L196-F269 HydrophobicContact CD1-CZ 4.22Å; L196-F269 HydrophobicContact CD2-CB 4.17Å; L196-F269 HydrophobicContact CD2-CD1 4.32Å; L196-F269 HydrophobicContact CD2-CD2 3.67Å; L196-F269 HydrophobicContact CD2-CE2 4.08Å; L196-F269 HydrophobicContact CD2-CG 3.8Å; L196-F269 HydrophobicContact CG-CG 4.47Å; L196-N272 WeakPolarHBondContact CB-OD1 3.41Å; L196-N272 HydrophobicContact CD1-CB 4.35Å |
| 197 | L | 86.3 | Confident | 90 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -108.9 | 77.8 | -178.5 | -66.7 | 168.7 | 0 | 0 | 0 | 111.1 | V47 L51 S193 A194 F195 G199 V200 N272 | V47-L197 HydrophobicContact CB-CD1 4.15Å; V47-L197 HydrophobicContact CG1-CD1 3.73Å; V47-L197 HydrophobicContact CG1-CD2 4.1Å; V47-L197 HydrophobicContact CG1-CG 4.38Å; V47-L197 HydrophobicContact CG2-CD1 3.65Å; L51-L197 HydrophobicContact CD2-CD2 3.51Å; L51-L197 HydrophobicContact CG-CD2 3.76Å; S193-L197 WeakPolarHBondContact O-CB 3.38Å; S193-L197 WeakPolarHBondContact O-CD1 3.39Å; S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.15Å; S193-L197 PolarHBondContact O-N 3.29Å; A194-L197 CarbonylContact O-C 3.44Å; A194-L197 PolarHBondContact O-N 3.24Å; A194-L197 VanDerWaalsContact O-O 3.13Å; F195-L197 VanDerWaalsContact C-N 3.25Å; F195-L197 PolarHBondContact O-N 3.08Å; L197-G199 PolarHBondContact O-N 2.99Å; L197-G199 VanDerWaalsContact O-N 3.11Å; L197-V200 HydrophobicContact CB-CB 3.77Å; L197-V200 HydrophobicContact CB-CG2 3.77Å; L197-V200 WeakPolarHBondContact O-CB 3.42Å; L197-V200 PolarHBondContact O-N 3.47Å; L197-N272 VanDerWaalsContact CD2-ND2 3.35Å; L197-N272 WeakPolarHBondContact CD2-ND2 3.35Å |
| 198 | R | 83.7 | Confident | 89.8 | Confident | 170 Ų | 170 | 31.9 Ų | 31.9 | 64% | 0.642 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47 | 118.9 | -179.9 | -171.9 | -177.5 | 179.8 | -173.6 | -0.1 | 112.4 | V200 E220 | R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 2.84Å; R198-E220 VanDerWaalsContact CG-O 3.25Å; R198-E220 WeakPolarHBondContact CG-O 3.26Å; R198-E220 PolarHBondContact NE-O 3.21Å |
| 199 | G | 85.7 | Confident | 89.6 | Confident | 28 Ų | 28 | 32 Ų | 32 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L197 F219 | L197-G199 PolarHBondContact O-N 2.99Å; L197-G199 VanDerWaalsContact O-N 3.11Å; G199-F219 PolarHBondContact N-O 2.96Å |
| 200 | V | 90.5 | Very high | 89 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | trans | -87.5 | 128.5 | 170.5 | 179 | 0 | 0 | 0 | 0 | 108.7 | A50 N56 I58 L197 R198 I202 | A50-V200 HydrophobicContact CB-CG1 4.44Å; A50-V200 HydrophobicContact CB-CG2 4Å; N56-V200 WeakPolarHBondContact O-CA 3.5Å; I58-V200 HydrophobicContact CD1-CG1 4.29Å; I58-V200 HydrophobicContact CG1-CG1 4.34Å; L197-V200 HydrophobicContact CB-CB 3.77Å; L197-V200 HydrophobicContact CB-CG2 3.77Å; L197-V200 WeakPolarHBondContact O-CB 3.42Å; L197-V200 PolarHBondContact O-N 3.47Å; R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 2.84Å; V200-I202 HydrophobicContact CG1-CG1 4.29Å | ||
| 201 | K | 93.3 | Very high | 88.3 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.4 | 176.8 | -179.2 | -173 | 175.1 | -162.2 | 0 | 109.6 | N56 E57 I58 V216 F217 H218 | N56-K201 PolarHBondContact O-N 2.91Å; E57-K201 CarbonylContact C-O 3.59Å; E57-K201 VanDerWaalsContact CA-O 3.26Å; E57-K201 WeakPolarHBondContact CA-O 3.49Å; E57-K201 HydrophobicContact CG-CB 4.23Å; E57-K201 HydrophobicContact CG-CD 4.46Å; I58-K201 PolarHBondContact N-O 3.08Å; K201-V216 HydrophobicContact CD-CG1 4.2Å; K201-V216 VanDerWaalsContact CE-CG1 3.44Å; K201-V216 HydrophobicContact CG-CG1 3.86Å; K201-F217 CarbonylContact C-O 3.55Å; K201-F217 WeakPolarHBondContact CA-O 3.38Å; K201-H218 HydrophobicContact CB-CB 4.38Å; K201-H218 HydrophobicContact CG-CB 4.34Å |
| 202 | I | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.9 | 174 | -53 | -172.9 | 0 | 0 | 0 | 108.7 | I58 L190 A194 V200 F217 | I58-I202 HydrophobicContact CB-CG1 4.3Å; I58-I202 HydrophobicContact CB-CG2 4.49Å; I58-I202 HydrophobicContact CD1-CD1 4.42Å; I58-I202 HydrophobicContact CD1-CG1 4.48Å; I58-I202 CarbonylContact O-C 3.56Å; I58-I202 VanDerWaalsContact O-CA 3.29Å; I58-I202 WeakPolarHBondContact O-CA 3.43Å; L190-I202 HydrophobicContact CB-CG2 4Å; L190-I202 HydrophobicContact CD1-CG2 4.36Å; L190-I202 HydrophobicContact CD2-CG2 4.06Å; L190-I202 HydrophobicContact CG-CG2 4.36Å; A194-I202 HydrophobicContact CB-CB 4.4Å; A194-I202 HydrophobicContact CB-CD1 3.94Å; A194-I202 HydrophobicContact CB-CG1 4.09Å; V200-I202 HydrophobicContact CG1-CG1 4.29Å; I202-F217 HydrophobicContact CB-CB 4.42Å; I202-F217 HydrophobicContact CB-CD2 4.42Å; I202-F217 HydrophobicContact CG2-CD2 4.49Å; I202-F217 PolarHBondContact N-O 3.43Å; I202-F217 PolarHBondContact O-N 2.96Å |
| 203 | T | 95.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127 | 178.7 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | I58 E59 V60 M205 E215 V216 | I58-T203 PolarHBondContact O-N 3.06Å; E59-T203 WeakPolarHBondContact CA-O 3.41Å; V60-T203 PolarHBondContact N-O 3.4Å; T203-M205 HydrophobicContact CG2-CG 4.12Å; T203-E215 WeakPolarHBondContact CA-O 3.25Å; T203-V216 HydrophobicContact CG2-CG2 4.05Å |
| 204 | L | 96.3 | Very high | 88 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.8 | 171.5 | -179.7 | 63.6 | 0 | 0 | 0 | 109.2 | V60 Y183 L186 L190 S214 E215 F217 | V60-L204 HydrophobicContact CB-CD1 3.97Å; V60-L204 HydrophobicContact CG1-CD1 3.85Å; V60-L204 CarbonylContact O-C 3.52Å; V60-L204 WeakPolarHBondContact O-CA 3.36Å; Y183-L204 HydrophobicContact CD2-CD2 3.71Å; Y183-L204 HydrophobicContact CD2-CG 4.05Å; Y183-L204 HydrophobicContact CE2-CD2 3.46Å; Y183-L204 VanDerWaalsContact CE2-CD2 3.46Å; Y183-L204 HydrophobicContact CE2-CG 3.58Å; Y183-L204 HydrophobicContact CG-CD2 4.39Å; L186-L204 HydrophobicContact CB-CD1 4.42Å; L186-L204 HydrophobicContact CB-CD2 4.06Å; L190-L204 HydrophobicContact CD1-CB 4.04Å; L190-L204 HydrophobicContact CD1-CD1 3.86Å; L190-L204 HydrophobicContact CD1-CD2 4.28Å; L190-L204 HydrophobicContact CD1-CG 4.27Å; L204-S214 WeakPolarHBondContact O-CA 3.46Å; L204-E215 PolarHBondContact N-O 3.1Å; L204-E215 PolarHBondContact O-N 3.38Å; L204-F217 HydrophobicContact CB-CE2 4.31Å |
| 205 | M | 95 | Very high | 88 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.5 | 178.6 | -66.3 | 179.9 | -74.1 | 0 | 0 | 110.6 | V60 T61 L62 T203 V213 | V60-M205 PolarHBondContact O-N 2.89Å; T61-M205 WeakPolarHBondContact CA-O 3.49Å; T61-M205 HydrophobicContact CG2-CB 4.34Å; T61-M205 WeakPolarHBondContact OG1-CE 3.33Å; L62-M205 PolarHBondContact N-O 3.42Å; T203-M205 HydrophobicContact CG2-CG 4.12Å; M205-V213 WeakPolarHBondContact CA-O 3.4Å |
| 206 | D | 92.8 | Very high | 88.2 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.2 | 170.3 | -158.9 | -24.9 | 0 | 0 | 0 | 110.7 | Y183 R208 V213 | Y183-D206 HydrophobicContact CD2-CB 3.66Å; Y183-D206 HydrophobicContact CE2-CB 4Å; D206-R208 VanDerWaalsContact OD1-CB 3.31Å; D206-R208 WeakPolarHBondContact OD1-CB 3.15Å; D206-R208 WeakPolarHBondContact OD1-CG 3.43Å; D206-R208 IonicContact OD1-CZ 3.6Å; D206-R208 PolarHBondContact OD1-N 3.21Å; D206-R208 IonicContact OD1-NE 3.4Å; D206-R208 PolarHBondContact OD1-NE 3.44Å; D206-R208 IonicContact OD1-NH2 3.96Å; D206-R208 IonicContact OD2-CZ 3.79Å; D206-R208 IonicContact OD2-NE 3.87Å; D206-R208 PolarHBondContact OD2-NE 3.49Å; D206-R208 IonicContact OD2-NH2 2.96Å; D206-R208 PolarHBondContact OD2-NH2 3.42Å; D206-V213 HydrophobicContact CB-CB 4.46Å; D206-V213 PolarHBondContact N-O 2.92Å; D206-V213 PolarHBondContact O-N 3.26Å |
| 207 | L | 92.6 | Very high | 88.4 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | trans | -104.7 | 4.9 | -179.5 | -54.9 | -179.1 | 0 | 0 | 0 | 113.1 | T61 L62 K212 | T61-L207 HydrophobicContact CG2-CD1 3.59Å; T61-L207 HydrophobicContact CG2-CG 4.01Å; L62-L207 WeakPolarHBondContact O-CB 3.08Å; L62-L207 PolarHBondContact O-N 3.1Å; L207-K212 HydrophobicContact CD2-CB 4.45Å; L207-K212 HydrophobicContact CD2-CD 3.81Å; L207-K212 HydrophobicContact CD2-CG 4.09Å | ||
| 208 | R | 85.8 | Confident | 88.7 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 28% | 0.279 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.6 | -30 | -175 | -63.3 | 172.8 | -64.3 | 172.8 | 4.1 | 113.8 | H63 N66 F181 D206 | H63-R208 WeakPolarHBondContact O-CG 3.29Å; N66-R208 VanDerWaalsContact OD1-CD 3.32Å; N66-R208 WeakPolarHBondContact OD1-CD 3.43Å; N66-R208 PolarHBondContact OD1-NH1 3.27Å; F181-R208 VanDerWaalsContact O-CZ 3.27Å; F181-R208 PolarHBondContact O-NH1 2.89Å; F181-R208 PolarHBondContact O-NH2 3.48Å; D206-R208 VanDerWaalsContact OD1-CB 3.31Å; D206-R208 WeakPolarHBondContact OD1-CB 3.15Å; D206-R208 WeakPolarHBondContact OD1-CG 3.43Å; D206-R208 IonicContact OD1-CZ 3.6Å; D206-R208 PolarHBondContact OD1-N 3.21Å; D206-R208 IonicContact OD1-NE 3.4Å; D206-R208 PolarHBondContact OD1-NE 3.44Å; D206-R208 IonicContact OD1-NH2 3.96Å; D206-R208 IonicContact OD2-CZ 3.79Å; D206-R208 IonicContact OD2-NE 3.87Å; D206-R208 PolarHBondContact OD2-NE 3.49Å; D206-R208 IonicContact OD2-NH2 2.96Å; D206-R208 PolarHBondContact OD2-NH2 3.42Å |
| 209 | G | 77.5 | Confident | 89 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -88.8 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 210 | E | 73.5 | Confident | 89.1 | Confident | 206 Ų | 206 | 66.5 Ų | 66.5 | 96% | 0.963 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -65.5 | -45.3 | 172.8 | -70.4 | -167.2 | 165.7 | 0 | 0 | 111.7 | ||
| 211 | E | 75.6 | Confident | 89 | Confident | 170 Ų | 170 | 70.1 Ų | 70.1 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -89.1 | 116.5 | 168 | -69.8 | -164.8 | 163.6 | 0 | 0 | 109.5 | V213 | E211-V213 PolarHBondContact O-N 2.96Š|
| 212 | K | 83.1 | Confident | 88.8 | Confident | 159 Ų | 159 | 66.9 Ų | 66.9 | 69% | 0.691 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 123.5 | 175.1 | -64.2 | 176.6 | 178.4 | -176.8 | 0 | 109.1 | L207 | L207-K212 HydrophobicContact CD2-CB 4.45Å; L207-K212 HydrophobicContact CD2-CD 3.81Å; L207-K212 HydrophobicContact CD2-CG 4.09Å |
| 213 | V | 86.1 | Confident | 88.6 | Confident | 70 Ų | 70 | 67 Ų | 67 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | Y183 M205 D206 E211 | Y183-V213 HydrophobicContact CE1-CG1 4.05Å; Y183-V213 HydrophobicContact CE2-CG1 4.32Å; M205-V213 WeakPolarHBondContact CA-O 3.4Å; D206-V213 HydrophobicContact CB-CB 4.46Å; D206-V213 PolarHBondContact N-O 2.92Å; D206-V213 PolarHBondContact O-N 3.26Å; E211-V213 PolarHBondContact O-N 2.96Å |
| 214 | S | 90 | Very high | 88.5 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L204 | L204-S214 WeakPolarHBondContact O-CA 3.46Å |
| 215 | E | 91.2 | Very high | 88.2 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.4 | 173.2 | -80.3 | 179.6 | -117.7 | 0 | 0 | 110.8 | Y183 S187 R191 T203 L204 F217 | Y183-E215 WeakPolarHBondContact CE1-OE1 2.83Å; Y183-E215 WeakPolarHBondContact OH-CB 3.18Å; Y183-E215 VanDerWaalsContact OH-CG 3.26Å; Y183-E215 WeakPolarHBondContact OH-CG 3.4Å; Y183-E215 PolarHBondContact OH-OE1 3.28Å; S187-E215 PolarHBondContact OG-OE2 3.04Å; R191-E215 IonicContact CZ-OE2 2.86Å; R191-E215 IonicContact NH1-OE2 3.2Å; R191-E215 IonicContact NH2-OE2 3.17Å; R191-E215 PolarHBondContact NH2-OE2 3.13Å; T203-E215 WeakPolarHBondContact CA-O 3.25Å; L204-E215 PolarHBondContact N-O 3.1Å; L204-E215 PolarHBondContact O-N 3.38Å; E215-F217 HydrophobicContact CB-CE1 3.87Å; E215-F217 HydrophobicContact CB-CZ 3.71Å; E215-F217 VanDerWaalsContact OE2-CE1 3.29Å; E215-F217 WeakPolarHBondContact OE2-CE1 3.48Å |
| 216 | V | 93.1 | Very high | 88.1 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 108 | K201 T203 | K201-V216 HydrophobicContact CD-CG1 4.2Å; K201-V216 VanDerWaalsContact CE-CG1 3.44Å; K201-V216 HydrophobicContact CG-CG1 3.86Å; T203-V216 HydrophobicContact CG2-CG2 4.05Å |
| 217 | F | 92.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.7 | 174.3 | -49 | -51.8 | 0 | 0 | 0 | 109.2 | S187 L190 R191 A194 K201 I202 L204 E215 F219 | S187-F217 WeakPolarHBondContact OG-CZ 3.46Å; L190-F217 HydrophobicContact CB-CD2 4.07Å; L190-F217 HydrophobicContact CB-CE2 3.98Å; R191-F217 HydrophobicContact CB-CD1 4Å; R191-F217 HydrophobicContact CB-CD2 4.3Å; R191-F217 HydrophobicContact CB-CE1 4.14Å; R191-F217 HydrophobicContact CB-CE2 4.38Å; R191-F217 HydrophobicContact CB-CG 4.11Å; R191-F217 HydrophobicContact CB-CZ 4.32Å; R191-F217 HydrophobicContact CG-CD1 3.92Å; R191-F217 HydrophobicContact CG-CE1 4.27Å; R191-F217 HydrophobicContact CG-CG 4.33Å; A194-F217 HydrophobicContact CB-CB 3.57Å; K201-F217 CarbonylContact C-O 3.55Å; K201-F217 WeakPolarHBondContact CA-O 3.38Å; I202-F217 HydrophobicContact CB-CB 4.42Å; I202-F217 HydrophobicContact CB-CD2 4.42Å; I202-F217 HydrophobicContact CG2-CD2 4.49Å; I202-F217 PolarHBondContact N-O 3.43Å; I202-F217 PolarHBondContact O-N 2.96Å; L204-F217 HydrophobicContact CB-CE2 4.31Å; E215-F217 HydrophobicContact CB-CE1 3.87Å; E215-F217 HydrophobicContact CB-CZ 3.71Å; E215-F217 VanDerWaalsContact OE2-CE1 3.29Å; E215-F217 WeakPolarHBondContact OE2-CE1 3.48Å; F217-F219 HydrophobicContact CB-CE2 3.89Å; F217-F219 HydrophobicContact CB-CZ 4.43Å |
| 218 | H | 92.6 | Very high | 87.9 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 38% | 0.384 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 109.5 | 178.4 | 179.9 | -122.7 | 0 | 0 | 0 | 108.8 | K201 E220 | K201-H218 HydrophobicContact CB-CB 4.38Å; K201-H218 HydrophobicContact CG-CB 4.34Å; H218-E220 IonicContact CE1-OE1 3.92Å |
| 219 | F | 90.4 | Very high | 88 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | trans | -122.4 | 109.6 | -171 | -59.3 | -61.6 | 0 | 0 | 0 | 109.5 | R191 A194 F195 G199 F217 E225 | R191-F219 HydrophobicContact CG-CE2 3.82Å; R191-F219 HydrophobicContact CG-CZ 3.88Å; A194-F219 HydrophobicContact CB-CD2 3.71Å; A194-F219 HydrophobicContact CB-CE2 3.9Å; F195-F219 HydrophobicContact CD1-CB 4.02Å; F195-F219 AromaticContact CD1-CD1 3.96Å; F195-F219 HydrophobicContact CD1-CD1 3.96Å; F195-F219 AromaticContact CD1-CD2 3.35Å; F195-F219 HydrophobicContact CD1-CD2 3.35Å; F195-F219 HydrophobicContact CD1-CE1 4.26Å; F195-F219 AromaticContact CD1-CE2 3.68Å; F195-F219 HydrophobicContact CD1-CE2 3.68Å; F195-F219 AromaticContact CD1-CG 3.5Å; F195-F219 HydrophobicContact CD1-CG 3.5Å; F195-F219 VanDerWaalsContact CD1-CG 3.5Å; F195-F219 HydrophobicContact CD1-CZ 4.13Å; F195-F219 HydrophobicContact CD2-CE2 4.29Å; F195-F219 HydrophobicContact CE1-CB 4.43Å; F195-F219 AromaticContact CE1-CD1 3.51Å; F195-F219 HydrophobicContact CE1-CD1 3.51Å; F195-F219 AromaticContact CE1-CD2 3.56Å; F195-F219 HydrophobicContact CE1-CD2 3.56Å; F195-F219 AromaticContact CE1-CE1 3.46Å; F195-F219 HydrophobicContact CE1-CE1 3.46Å; F195-F219 VanDerWaalsContact CE1-CE1 3.46Å; F195-F219 AromaticContact CE1-CE2 3.5Å; F195-F219 HydrophobicContact CE1-CE2 3.5Å; F195-F219 AromaticContact CE1-CG 3.56Å; F195-F219 HydrophobicContact CE1-CG 3.56Å; F195-F219 AromaticContact CE1-CZ 3.46Å; F195-F219 HydrophobicContact CE1-CZ 3.46Å; F195-F219 VanDerWaalsContact CE1-CZ 3.46Å; F195-F219 HydrophobicContact CE2-CE2 4.16Å; F195-F219 HydrophobicContact CE2-CZ 4.28Å; F195-F219 AromaticContact CG-CD2 3.9Å; F195-F219 HydrophobicContact CG-CD2 3.9Å; F195-F219 HydrophobicContact CG-CE2 4.06Å; F195-F219 HydrophobicContact CG-CG 4.46Å; F195-F219 HydrophobicContact CZ-CD1 4.39Å; F195-F219 HydrophobicContact CZ-CD2 4.28Å; F195-F219 AromaticContact CZ-CE1 3.89Å; F195-F219 HydrophobicContact CZ-CE1 3.89Å; F195-F219 AromaticContact CZ-CE2 3.76Å; F195-F219 HydrophobicContact CZ-CE2 3.76Å; F195-F219 AromaticContact CZ-CZ 3.55Å; F195-F219 HydrophobicContact CZ-CZ 3.55Å; G199-F219 PolarHBondContact N-O 2.96Å; F217-F219 HydrophobicContact CB-CE2 3.89Å; F217-F219 HydrophobicContact CB-CZ 4.43Å; F219-E225 WeakPolarHBondContact CA-OE2 3.43Å; F219-E225 VanDerWaalsContact CB-OE2 3.23Å; F219-E225 WeakPolarHBondContact CB-OE2 3.28Å; F219-E225 HydrophobicContact CD1-CB 4.21Å | ||
| 220 | E | 87.5 | Confident | 88.4 | Confident | 132 Ų | 132 | 68.6 Ų | 68.6 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.6 | -24.4 | -175.4 | -68.1 | -168.5 | 175 | 0 | 0 | 113 | R198 H218 E225 | R198-E220 VanDerWaalsContact CG-O 3.25Å; R198-E220 WeakPolarHBondContact CG-O 3.26Å; R198-E220 PolarHBondContact NE-O 3.21Å; H218-E220 IonicContact CE1-OE1 3.92Å; E220-E225 PolarHBondContact N-OE2 3Å |
| 221 | E | 89.2 | Confident | 89 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100.8 | -3.3 | 176.6 | -65 | -144.2 | 107.8 | 0 | 0 | 113.2 | I223 K224 E225 | E221-I223 PolarHBondContact O-N 2.96Å; E221-K224 HydrophobicContact CB-CB 4.09Å; E221-K224 HydrophobicContact CB-CD 4.23Å; E221-K224 PolarHBondContact O-N 3.47Å; E221-K224 IonicContact OE1-NZ 2.97Å; E221-K224 PolarHBondContact OE1-NZ 2.87Å; E221-K224 IonicContact OE2-NZ 3.92Å; E221-E225 WeakPolarHBondContact CA-OE2 3.42Å; E221-E225 HydrophobicContact CB-CG 4.08Å; E221-E225 PolarHBondContact N-OE2 3.27Å |
| 222 | G | 89.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -122.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F195 K224 E225 F226 | F195-G222 CarbonylContact O-C 3.55Å; F195-G222 WeakPolarHBondContact O-CA 3.49Å; G222-K224 PolarHBondContact O-N 3.38Å; G222-K224 VanDerWaalsContact O-N 3.07Å; G222-E225 PolarHBondContact N-OE2 2.9Å; G222-E225 PolarHBondContact O-N 3.34Å; G222-E225 VanDerWaalsContact O-N 3.09Å; G222-F226 PolarHBondContact O-N 3.39Å |
| 223 | I | 91.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -15.4 | -175.3 | 64.7 | 164.3 | 0 | 0 | 0 | 114.4 | F195 L196 E221 F226 V227 Y242 E253 V322 | F195-I223 PolarHBondContact O-N 3.13Å; L196-I223 HydrophobicContact CD2-CG2 3.94Å; E221-I223 PolarHBondContact O-N 2.96Å; I223-F226 WeakPolarHBondContact O-CB 3.37Å; I223-F226 PolarHBondContact O-N 3.48Å; I223-V227 WeakPolarHBondContact O-CG2 3.47Å; I223-V227 PolarHBondContact O-N 3.2Å; I223-V227 VanDerWaalsContact O-N 3.1Å; I223-Y242 HydrophobicContact CD1-CD2 4.24Å; I223-Y242 HydrophobicContact CD1-CE2 4.1Å; I223-Y242 HydrophobicContact CG1-CD2 4.09Å; I223-Y242 HydrophobicContact CG1-CE2 3.98Å; I223-E253 HydrophobicContact CD1-CB 3.66Å; I223-V322 HydrophobicContact CB-CB 4.37Å; I223-V322 HydrophobicContact CB-CG1 4Å; I223-V322 HydrophobicContact CG2-CG1 3.9Å |
| 224 | K | 92.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 170.2 | -71.2 | -170.6 | -167.2 | 169.5 | 0 | 111.1 | E221 G222 F226 V227 E228 V240 Y242 | E221-K224 HydrophobicContact CB-CB 4.09Å; E221-K224 HydrophobicContact CB-CD 4.23Å; E221-K224 PolarHBondContact O-N 3.47Å; E221-K224 IonicContact OE1-NZ 2.97Å; E221-K224 PolarHBondContact OE1-NZ 2.87Å; E221-K224 IonicContact OE2-NZ 3.92Å; G222-K224 PolarHBondContact O-N 3.38Å; G222-K224 VanDerWaalsContact O-N 3.07Å; K224-F226 PolarHBondContact O-N 2.88Å; K224-V227 WeakPolarHBondContact O-CB 3.14Å; K224-V227 PolarHBondContact O-N 2.96Å; K224-E228 PolarHBondContact O-N 3.4Å; K224-V240 HydrophobicContact CB-CG1 4.07Å; K224-V240 HydrophobicContact CG-CG1 4.19Å; K224-Y242 VanDerWaalsContact CE-CB 3.41Å; K224-Y242 HydrophobicContact CG-CD2 4.03Å; K224-Y242 HydrophobicContact CG-CG 4.17Å |
| 225 | E | 90.7 | Very high | 88.1 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -28.7 | 176.6 | -69.9 | 168 | 103.3 | 0 | 0 | 110.6 | F195 F219 E220 E221 G222 E228 Y229 | F195-E225 HydrophobicContact CD1-CB 4.02Å; F195-E225 VanDerWaalsContact CE1-C 3.45Å; F195-E225 HydrophobicContact CE1-CB 3.7Å; F219-E225 WeakPolarHBondContact CA-OE2 3.43Å; F219-E225 VanDerWaalsContact CB-OE2 3.23Å; F219-E225 WeakPolarHBondContact CB-OE2 3.28Å; F219-E225 HydrophobicContact CD1-CB 4.21Å; E220-E225 PolarHBondContact N-OE2 3Å; E221-E225 WeakPolarHBondContact CA-OE2 3.42Å; E221-E225 HydrophobicContact CB-CG 4.08Å; E221-E225 PolarHBondContact N-OE2 3.27Å; G222-E225 PolarHBondContact N-OE2 2.9Å; G222-E225 PolarHBondContact O-N 3.34Å; G222-E225 VanDerWaalsContact O-N 3.09Å; E225-E228 PolarHBondContact O-N 3.49Å; E225-Y229 VanDerWaalsContact O-CB 3.31Å; E225-Y229 WeakPolarHBondContact O-CB 3.45Å; E225-Y229 PolarHBondContact O-N 3.34Å |
| 226 | F | 92.7 | Very high | 88 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 172.4 | -156.8 | 174.9 | 0 | 0 | 0 | 111.6 | E192 F195 G222 I223 K224 E228 Y229 L230 L267 F269 V322 | E192-F226 HydrophobicContact CB-CE1 4.43Å; E192-F226 HydrophobicContact CB-CZ 4.2Å; E192-F226 HydrophobicContact CG-CE1 4.42Å; E192-F226 HydrophobicContact CG-CE2 4.42Å; E192-F226 HydrophobicContact CG-CZ 3.73Å; F195-F226 HydrophobicContact CB-CB 3.72Å; F195-F226 HydrophobicContact CB-CD1 3.66Å; F195-F226 HydrophobicContact CB-CE1 4.42Å; F195-F226 HydrophobicContact CB-CG 3.75Å; F195-F226 HydrophobicContact CD1-CB 3.8Å; F195-F226 HydrophobicContact CD1-CG 4.35Å; F195-F226 HydrophobicContact CD2-CB 3.79Å; F195-F226 AromaticContact CD2-CD1 3.91Å; F195-F226 HydrophobicContact CD2-CD1 3.91Å; F195-F226 AromaticContact CD2-CD2 3.36Å; F195-F226 HydrophobicContact CD2-CD2 3.36Å; F195-F226 HydrophobicContact CD2-CE1 4.35Å; F195-F226 AromaticContact CD2-CE2 3.87Å; F195-F226 HydrophobicContact CD2-CE2 3.87Å; F195-F226 AromaticContact CD2-CG 3.4Å; F195-F226 HydrophobicContact CD2-CG 3.4Å; F195-F226 VanDerWaalsContact CD2-CG 3.4Å; F195-F226 HydrophobicContact CD2-CZ 4.34Å; F195-F226 HydrophobicContact CE1-CB 4.35Å; F195-F226 HydrophobicContact CE2-CB 4.32Å; F195-F226 AromaticContact CE2-CD2 3.58Å; F195-F226 HydrophobicContact CE2-CD2 3.58Å; F195-F226 HydrophobicContact CE2-CE2 4.12Å; F195-F226 HydrophobicContact CE2-CG 4.03Å; F195-F226 HydrophobicContact CG-CB 3.51Å; F195-F226 HydrophobicContact CG-CD1 4.02Å; F195-F226 HydrophobicContact CG-CD2 4.05Å; F195-F226 AromaticContact CG-CG 3.6Å; F195-F226 HydrophobicContact CG-CG 3.6Å; F195-F226 HydrophobicContact CZ-CD2 4.42Å; G222-F226 PolarHBondContact O-N 3.39Å; I223-F226 WeakPolarHBondContact O-CB 3.37Å; I223-F226 PolarHBondContact O-N 3.48Å; K224-F226 PolarHBondContact O-N 2.88Å; F226-E228 VanDerWaalsContact C-N 3.31Å; F226-E228 PolarHBondContact O-N 3.38Å; F226-Y229 HydrophobicContact CD2-CD1 4.18Å; F226-Y229 HydrophobicContact CE2-CD1 4.28Å; F226-Y229 WeakPolarHBondContact O-CB 3.32Å; F226-Y229 PolarHBondContact O-N 3.25Å; F226-L230 HydrophobicContact CD2-CD2 4.35Å; F226-L230 HydrophobicContact CD2-CG 4.07Å; F226-L230 HydrophobicContact CE2-CD2 3.97Å; F226-L230 HydrophobicContact CE2-CG 4.17Å; F226-L230 VanDerWaalsContact O-CG 3.3Å; F226-L230 WeakPolarHBondContact O-CG 3.26Å; F226-L230 PolarHBondContact O-N 3.35Å; F226-L267 HydrophobicContact CE1-CD1 4.14Å; F226-L267 HydrophobicContact CE2-CD1 4.02Å; F226-L267 HydrophobicContact CZ-CD1 3.55Å; F226-F269 AromaticContact CE1-CE2 3.85Å; F226-F269 HydrophobicContact CE1-CE2 3.85Å; F226-F269 AromaticContact CE1-CZ 3.81Å; F226-F269 HydrophobicContact CE1-CZ 3.81Å; F226-F269 HydrophobicContact CZ-CZ 4.33Å; F226-V322 HydrophobicContact CB-CG2 4.21Å; F226-V322 HydrophobicContact CD1-CG1 4.03Å; F226-V322 HydrophobicContact CD1-CG2 3.92Å; F226-V322 HydrophobicContact CE1-CG2 4.47Å; F226-V322 HydrophobicContact CG-CG2 4.02Å |
| 227 | V | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I223 K224 Y229 L230 N231 V240 S255 Q257 V322 | I223-V227 WeakPolarHBondContact O-CG2 3.47Å; I223-V227 PolarHBondContact O-N 3.2Å; I223-V227 VanDerWaalsContact O-N 3.1Å; K224-V227 WeakPolarHBondContact O-CB 3.14Å; K224-V227 PolarHBondContact O-N 2.96Å; V227-Y229 VanDerWaalsContact C-N 3.33Å; V227-L230 PolarHBondContact O-N 2.88Å; V227-N231 PolarHBondContact O-N 2.92Å; V227-N231 VanDerWaalsContact O-N 3.1Å; V227-V240 HydrophobicContact CB-CG1 4.17Å; V227-V240 HydrophobicContact CG1-CG1 4.17Å; V227-V240 HydrophobicContact CG1-CG2 4.29Å; V227-S255 WeakPolarHBondContact CG2-O 3.23Å; V227-Q257 HydrophobicContact CG1-CB 3.43Å; V227-Q257 VanDerWaalsContact CG1-CB 3.43Å; V227-V322 HydrophobicContact CG2-CB 4.13Å; V227-V322 HydrophobicContact CG2-CG2 3.79Å |
| 228 | E | 89 | Confident | 87.6 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 173.2 | -64.8 | -175.5 | 166.9 | 0 | 0 | 111 | K224 E225 F226 L230 N231 E232 V240 | K224-E228 PolarHBondContact O-N 3.4Å; E225-E228 PolarHBondContact O-N 3.49Å; F226-E228 VanDerWaalsContact C-N 3.31Å; F226-E228 PolarHBondContact O-N 3.38Å; E228-L230 PolarHBondContact O-N 3.04Å; E228-N231 CarbonylContact O-C 3.57Å; E228-N231 VanDerWaalsContact O-C 3.25Å; E228-N231 WeakPolarHBondContact O-CA 3.4Å; E228-N231 PolarHBondContact O-N 2.67Å; E228-N231 VanDerWaalsContact O-N 3.13Å; E228-E232 PolarHBondContact O-N 3.38Å; E228-V240 HydrophobicContact CG-CG2 3.5Å; E228-V240 VanDerWaalsContact CG-CG2 3.5Å |
| 229 | Y | 87.3 | Confident | 87.5 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.6 | 177.1 | -103.8 | 0 | 0 | 0 | 112.6 | F195 E225 F226 V227 N231 E232 | F195-Y229 AromaticContact CE2-CD1 3.89Å; F195-Y229 HydrophobicContact CE2-CD1 3.89Å; F195-Y229 HydrophobicContact CE2-CG 4.06Å; F195-Y229 HydrophobicContact CZ-CD1 4.24Å; F195-Y229 AromaticContact CZ-CG 3.92Å; F195-Y229 HydrophobicContact CZ-CG 3.92Å; E225-Y229 VanDerWaalsContact O-CB 3.31Å; E225-Y229 WeakPolarHBondContact O-CB 3.45Å; E225-Y229 PolarHBondContact O-N 3.34Å; F226-Y229 HydrophobicContact CD2-CD1 4.18Å; F226-Y229 HydrophobicContact CE2-CD1 4.28Å; F226-Y229 WeakPolarHBondContact O-CB 3.32Å; F226-Y229 PolarHBondContact O-N 3.25Å; V227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-N231 PolarHBondContact O-N 3.13Å; Y229-E232 WeakPolarHBondContact CD2-OE2 3.11Å; Y229-E232 WeakPolarHBondContact CE2-OE2 3.21Å; Y229-E232 WeakPolarHBondContact O-CB 3.35Å; Y229-E232 PolarHBondContact O-N 2.54Å |
| 230 | L | 86 | Confident | 87.7 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -22.1 | 175.3 | -67.8 | 179.2 | 0 | 0 | 0 | 113.6 | F226 V227 E228 L267 V322 | F226-L230 HydrophobicContact CD2-CD2 4.35Å; F226-L230 HydrophobicContact CD2-CG 4.07Å; F226-L230 HydrophobicContact CE2-CD2 3.97Å; F226-L230 HydrophobicContact CE2-CG 4.17Å; F226-L230 VanDerWaalsContact O-CG 3.3Å; F226-L230 WeakPolarHBondContact O-CG 3.26Å; F226-L230 PolarHBondContact O-N 3.35Å; V227-L230 PolarHBondContact O-N 2.88Å; E228-L230 PolarHBondContact O-N 3.04Å; L230-L267 HydrophobicContact CD1-CD1 3.83Å; L230-L267 HydrophobicContact CD1-CG 4.13Å; L230-L267 HydrophobicContact CD2-CD1 3.92Å; L230-L267 HydrophobicContact CG-CD1 4.44Å; L230-V322 HydrophobicContact CD1-CG2 3.75Å |
| 231 | N | 86.7 | Confident | 88 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 10.2 | 173.3 | -76.2 | -28 | 0 | 0 | 0 | 112.8 | V227 E228 Y229 D233 K234 T236 Q257 N259 S320 | V227-N231 PolarHBondContact O-N 2.92Å; V227-N231 VanDerWaalsContact O-N 3.1Å; E228-N231 CarbonylContact O-C 3.57Å; E228-N231 VanDerWaalsContact O-C 3.25Å; E228-N231 WeakPolarHBondContact O-CA 3.4Å; E228-N231 PolarHBondContact O-N 2.67Å; E228-N231 VanDerWaalsContact O-N 3.13Å; Y229-N231 PolarHBondContact O-N 3.13Å; N231-D233 PolarHBondContact O-N 2.99Å; N231-K234 HydrophobicContact CB-CB 4.49Å; N231-K234 WeakPolarHBondContact O-CB 3.26Å; N231-K234 PolarHBondContact O-N 3.29Å; N231-T236 HydrophobicContact CB-CG2 4.12Å; N231-Q257 WeakPolarHBondContact ND2-CB 3.23Å; N231-Q257 PolarHBondContact ND2-OE1 2.84Å; N231-N259 PolarHBondContact OD1-ND2 2.99Å; N231-S320 WeakPolarHBondContact OD1-CB 3.34Å; N231-S320 PolarHBondContact OD1-OG 3.03Å |
| 232 | E | 81.8 | Confident | 88.3 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 133.2 | 171.1 | -166.6 | 173.1 | -150.5 | 0 | 0 | 107.9 | E228 Y229 K234 | E228-E232 PolarHBondContact O-N 3.38Å; Y229-E232 WeakPolarHBondContact CD2-OE2 3.11Å; Y229-E232 WeakPolarHBondContact CE2-OE2 3.21Å; Y229-E232 WeakPolarHBondContact O-CB 3.35Å; Y229-E232 PolarHBondContact O-N 2.54Å; E232-K234 VanDerWaalsContact C-N 3.3Å; E232-K234 PolarHBondContact O-N 2.8Å |
| 233 | D | 74.2 | Confident | 88.6 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 17.2 | -171.8 | -54.9 | -45.9 | 0 | 0 | 0 | 116.6 | N231 K620 P623 | N231-D233 PolarHBondContact O-N 2.99Å; D233-K620 WeakPolarHBondContact O-CD 3.41Å; D233-K620 WeakPolarHBondContact O-CE 3.18Å; D233-K620 PolarHBondContact O-NZ 3.47Å; D233-P623 HydrophobicContact CB-CG 4.38Å |
| 234 | K | 78.6 | Confident | 88.7 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -112.2 | 155.2 | 171.3 | -62.3 | -176.8 | -176.6 | 168.4 | 0 | 112.6 | N231 E232 T236 N259 | N231-K234 HydrophobicContact CB-CB 4.49Å; N231-K234 WeakPolarHBondContact O-CB 3.26Å; N231-K234 PolarHBondContact O-N 3.29Å; E232-K234 VanDerWaalsContact C-N 3.3Å; E232-K234 PolarHBondContact O-N 2.8Å; K234-T236 PolarHBondContact O-N 2.97Å; K234-N259 HydrophobicContact CB-CB 3.99Å; K234-N259 HydrophobicContact CD-CB 4.38Å |
| 235 | D | 80.2 | Confident | 88.7 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | trans | -86.2 | 106.3 | 177.3 | -67.3 | -7.3 | 0 | 0 | 0 | 109.2 | N259 D260 K620 | D235-N259 CarbonylContact O-C 3.57Å; D235-N259 WeakPolarHBondContact O-CA 3.37Å; D235-N259 WeakPolarHBondContact O-CB 3.34Å; D235-D260 HydrophobicContact CB-CB 4.33Å; D235-D260 PolarHBondContact N-OD1 3.47Å; D235-D260 PolarHBondContact O-N 2.92Å; D235-K620 WeakPolarHBondContact OD1-CE 3.35Å; D235-K620 IonicContact OD1-NZ 2.73Å; D235-K620 PolarHBondContact OD1-NZ 3.24Å | ||
| 236 | T | 89.9 | Confident | 88.8 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 130.5 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | N231 K234 Q257 Y258 | N231-T236 HydrophobicContact CB-CG2 4.12Å; K234-T236 PolarHBondContact O-N 2.97Å; T236-Q257 VanDerWaalsContact CG2-CD 3.46Å; T236-Q257 HydrophobicContact CG2-CG 4.36Å; T236-Y258 CarbonylContact C-O 3.6Å |
| 237 | L | 87.7 | Confident | 88.7 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.7 | -28.4 | 177.6 | -60.3 | -179.4 | 0 | 0 | 0 | 112.3 | Y258 N259 D260 M372 K376 | L237-Y258 PolarHBondContact N-O 3.21Å; L237-N259 VanDerWaalsContact CD1-O 3.25Å; L237-N259 WeakPolarHBondContact CD1-O 3.29Å; L237-D260 HydrophobicContact CD2-CB 4.33Å; L237-M372 HydrophobicContact CB-CE 3.87Å; L237-M372 WeakPolarHBondContact O-CE 3.27Å; L237-K376 HydrophobicContact CD1-CD 3.89Å |
| 238 | T | 89.8 | Confident | 88.3 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.6 | 158.5 | -178.2 | 64.6 | 0 | 0 | 0 | 0 | 111 | Q257 Y258 N369 M372 L373 | T238-Q257 VanDerWaalsContact O-CG 3.24Å; T238-Q257 WeakPolarHBondContact O-CG 3.36Å; T238-Q257 PolarHBondContact O-NE2 3.42Å; T238-Y258 HydrophobicContact CG2-CD2 4.41Å; T238-Y258 PolarHBondContact OG1-N 3.04Å; T238-Y258 VanDerWaalsContact OG1-N 3.12Å; T238-N369 HydrophobicContact CG2-CB 4.36Å; T238-M372 HydrophobicContact CG2-CE 4.22Å; T238-L373 HydrophobicContact CG2-CD1 4.05Å; T238-L373 HydrophobicContact CG2-CD2 4.08Å; T238-L373 HydrophobicContact CG2-CG 4.21Å |
| 239 | P | 90.7 | Very high | 88.1 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61 | 161.1 | 161.2 | 28.7 | -35.5 | 0 | 0 | 0 | 110.3 | V241 | P239-V241 PolarHBondContact O-N 2.93Š|
| 240 | V | 93.6 | Very high | 88.4 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 126.5 | 170.4 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | K224 V227 E228 S255 Q257 | K224-V240 HydrophobicContact CB-CG1 4.07Å; K224-V240 HydrophobicContact CG-CG1 4.19Å; V227-V240 HydrophobicContact CB-CG1 4.17Å; V227-V240 HydrophobicContact CG1-CG1 4.17Å; V227-V240 HydrophobicContact CG1-CG2 4.29Å; E228-V240 HydrophobicContact CG-CG2 3.5Å; E228-V240 VanDerWaalsContact CG-CG2 3.5Å; V240-S255 WeakPolarHBondContact CG1-OG 3.23Å; V240-Q257 HydrophobicContact CG2-CB 4.09Å; V240-Q257 HydrophobicContact CG2-CG 4.23Å |
| 241 | V | 94 | Very high | 88.7 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.1 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | P239 F243 S255 Y256 Y362 | P239-V241 PolarHBondContact O-N 2.93Å; V241-F243 HydrophobicContact CG1-CD1 4.11Å; V241-F243 HydrophobicContact CG1-CE1 3.36Å; V241-F243 HydrophobicContact CG1-CE2 4.28Å; V241-F243 HydrophobicContact CG1-CZ 3.45Å; V241-F243 VanDerWaalsContact CG1-CZ 3.45Å; V241-S255 CarbonylContact O-C 3.55Å; V241-S255 WeakPolarHBondContact O-CA 3.37Å; V241-S255 WeakPolarHBondContact O-CB 3.25Å; V241-S255 PolarHBondContact O-OG 3.37Å; V241-Y256 HydrophobicContact CB-CD1 3.92Å; V241-Y256 HydrophobicContact CB-CE1 3.46Å; V241-Y256 VanDerWaalsContact CB-CE1 3.46Å; V241-Y256 HydrophobicContact CB-CE2 4.17Å; V241-Y256 HydrophobicContact CB-CG 4.45Å; V241-Y256 HydrophobicContact CG1-CD1 4.31Å; V241-Y256 HydrophobicContact CG1-CE1 3.5Å; V241-Y256 VanDerWaalsContact CG1-CE1 3.5Å; V241-Y256 HydrophobicContact CG2-CE1 4.11Å; V241-Y256 HydrophobicContact CG2-CE2 3.98Å; V241-Y256 PolarHBondContact N-O 3.25Å; V241-Y256 PolarHBondContact O-N 3.41Å; V241-Y362 HydrophobicContact CB-CE2 4.36Å; V241-Y362 HydrophobicContact CG1-CD1 4.46Å; V241-Y362 HydrophobicContact CG1-CD2 3.79Å; V241-Y362 HydrophobicContact CG1-CE2 3.85Å; V241-Y362 HydrophobicContact CG1-CG 4.13Å; V241-Y362 HydrophobicContact CG2-CD2 4.34Å; V241-Y362 HydrophobicContact CG2-CE1 3.85Å; V241-Y362 HydrophobicContact CG2-CE2 3.57Å; V241-Y362 VanDerWaalsContact CG2-OH 3.26Å; V241-Y362 WeakPolarHBondContact CG2-OH 3.39Å |
| 242 | Y | 95.1 | Very high | 89.1 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.5 | 179.2 | 171.5 | -92.5 | 0 | 0 | 0 | 110 | I223 K224 S244 E253 F254 | I223-Y242 HydrophobicContact CD1-CD2 4.24Å; I223-Y242 HydrophobicContact CD1-CE2 4.1Å; I223-Y242 HydrophobicContact CG1-CD2 4.09Å; I223-Y242 HydrophobicContact CG1-CE2 3.98Å; K224-Y242 VanDerWaalsContact CE-CB 3.41Å; K224-Y242 HydrophobicContact CG-CD2 4.03Å; K224-Y242 HydrophobicContact CG-CG 4.17Å; Y242-S244 WeakPolarHBondContact OH-CB 3.49Å; Y242-E253 HydrophobicContact CE2-CB 4.32Å; Y242-E253 HydrophobicContact CE2-CG 4.48Å; Y242-E253 PolarHBondContact OH-OE1 3.25Å; Y242-F254 CarbonylContact C-O 3.49Å; Y242-F254 WeakPolarHBondContact CA-O 3.45Å |
| 243 | F | 95.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.9 | 173.5 | -57.1 | -30.9 | 0 | 0 | 0 | 109.4 | V241 E253 F254 Y256 Q358 M359 Y362 | V241-F243 HydrophobicContact CG1-CD1 4.11Å; V241-F243 HydrophobicContact CG1-CE1 3.36Å; V241-F243 HydrophobicContact CG1-CE2 4.28Å; V241-F243 HydrophobicContact CG1-CZ 3.45Å; V241-F243 VanDerWaalsContact CG1-CZ 3.45Å; F243-E253 WeakPolarHBondContact O-CA 3.48Å; F243-F254 AromaticContact CD2-CD1 3.94Å; F243-F254 HydrophobicContact CD2-CD1 3.94Å; F243-F254 PolarHBondContact N-O 2.67Å; F243-F254 PolarHBondContact O-N 2.82Å; F243-Y256 HydrophobicContact CD2-CE1 4.43Å; F243-Y256 AromaticContact CE2-CE1 3.72Å; F243-Y256 HydrophobicContact CE2-CE1 3.72Å; F243-Y256 AromaticContact CZ-CE1 3.97Å; F243-Y256 HydrophobicContact CZ-CE1 3.97Å; F243-Q358 HydrophobicContact CB-CB 4.03Å; F243-Q358 HydrophobicContact CB-CG 4.23Å; F243-Q358 HydrophobicContact CD1-CB 3.59Å; F243-Q358 HydrophobicContact CD1-CG 4.35Å; F243-Q358 HydrophobicContact CD2-CB 3.84Å; F243-Q358 HydrophobicContact CE1-CB 3.98Å; F243-Q358 HydrophobicContact CE2-CB 4.19Å; F243-Q358 HydrophobicContact CG-CB 3.55Å; F243-Q358 HydrophobicContact CG-CG 4.26Å; F243-Q358 HydrophobicContact CZ-CB 4.27Å; F243-M359 HydrophobicContact CE2-CB 4.01Å; F243-M359 HydrophobicContact CE2-CE 3.78Å; F243-M359 HydrophobicContact CE2-SD 4.02Å; F243-M359 HydrophobicContact CZ-CB 4.48Å; F243-M359 HydrophobicContact CZ-SD 4.25Å; F243-Y362 HydrophobicContact CE1-CG 4.35Å; F243-Y362 HydrophobicContact CZ-CG 4.09Å |
| 244 | S | 94 | Very high | 90.8 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146.5 | 173.8 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | Y242 V252 | Y242-S244 WeakPolarHBondContact OH-CB 3.49Å; S244-V252 CarbonylContact C-O 3.58Å; S244-V252 WeakPolarHBondContact CA-O 3.3Å |
| 245 | G | 93.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 163.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V252 | G245-V252 PolarHBondContact N-O 3.44Å; G245-V252 PolarHBondContact O-N 2.91Å |
| 246 | D | 91.6 | Very high | 92.4 | Very high | 77 Ų | 77 | 41.5 Ų | 41.5 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.6 | 172.3 | -178.4 | -71.8 | 0 | 0 | 0 | 109.4 | G249 I250 | D246-G249 PolarHBondContact OD1-N 3.45Å; D246-I250 WeakPolarHBondContact CA-O 3.38Å |
| 247 | R | 90.5 | Very high | 92.7 | Very high | 103 Ų | 103 | 38.7 Ų | 38.7 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 126.2 | 172.6 | -70.7 | -67.3 | -179.2 | -106.1 | 3.5 | 109.2 | G249 I250 A350 N353 V354 E357 | R247-G249 PolarHBondContact O-N 2.87Å; R247-I250 PolarHBondContact N-O 3.31Å; R247-I250 VanDerWaalsContact N-O 3.09Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.91Å; R247-A350 HydrophobicContact CB-CB 3.89Å; R247-N353 HydrophobicContact CG-CB 4.43Å; R247-V354 HydrophobicContact CG-CG2 3.73Å; R247-E357 IonicContact NH2-OE2 3.61Å; R247-E357 PolarHBondContact NH2-OE2 3Å |
| 248 | E | 85.2 | Confident | 93 | Very high | 151 Ų | 151 | 36 Ų | 36 | 71% | 0.706 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 28.9 | -179.7 | -55.7 | -175.9 | 172.1 | 0 | 0 | 113.4 | I250 | E248-I250 VanDerWaalsContact C-N 3.25Å; E248-I250 PolarHBondContact O-N 3.02Å |
| 249 | G | 85.1 | Confident | 93 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 5.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D246 R247 P328 | D246-G249 PolarHBondContact OD1-N 3.45Å; R247-G249 PolarHBondContact O-N 2.87Å; G249-P328 WeakPolarHBondContact O-CD 3.38Å; G249-P328 WeakPolarHBondContact O-CG 3.42Å |
| 250 | I | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.8 | 170.4 | -59.9 | 176.7 | 0 | 0 | 0 | 108.1 | D246 R247 E248 V252 V325 R326 I327 L331 A346 A347 A350 | D246-I250 WeakPolarHBondContact CA-O 3.38Å; R247-I250 PolarHBondContact N-O 3.31Å; R247-I250 VanDerWaalsContact N-O 3.09Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.91Å; E248-I250 VanDerWaalsContact C-N 3.25Å; E248-I250 PolarHBondContact O-N 3.02Å; I250-V252 HydrophobicContact CG2-CG2 4.13Å; I250-V325 HydrophobicContact CG2-CB 4.43Å; I250-R326 WeakPolarHBondContact CA-O 3.36Å; I250-I327 HydrophobicContact CD1-CG1 4.37Å; I250-I327 HydrophobicContact CG1-CG1 4.28Å; I250-I327 HydrophobicContact CG1-CG2 4.42Å; I250-I327 HydrophobicContact CG2-CG1 3.95Å; I250-L331 HydrophobicContact CG1-CD1 4.37Å; I250-A346 HydrophobicContact CD1-CB 4.12Å; I250-A347 HydrophobicContact CD1-CB 4.14Å; I250-A350 HydrophobicContact CB-CB 3.99Å; I250-A350 HydrophobicContact CD1-CB 4.14Å; I250-A350 HydrophobicContact CG2-CB 4.16Å |
| 251 | E | 92.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.6 | 174.3 | -52.1 | 171.5 | -173.9 | 0 | 0 | 107.9 | K108 V325 R326 | K108-E251 IonicContact NZ-OE1 2.76Å; K108-E251 PolarHBondContact NZ-OE1 2.78Å; E251-V325 CarbonylContact O-C 3.49Å; E251-V325 WeakPolarHBondContact O-CA 3.28Å; E251-R326 HydrophobicContact CB-CB 4.11Å; E251-R326 PolarHBondContact N-O 2.78Å; E251-R326 PolarHBondContact O-N 2.75Å; E251-R326 WeakPolarHBondContact OE2-CD 3.14Å; E251-R326 IonicContact OE2-NH1 3.94Å |
| 252 | V | 95.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.1 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | S244 G245 I250 L323 V325 V351 V354 | S244-V252 CarbonylContact C-O 3.58Å; S244-V252 WeakPolarHBondContact CA-O 3.3Å; G245-V252 PolarHBondContact N-O 3.44Å; G245-V252 PolarHBondContact O-N 2.91Å; I250-V252 HydrophobicContact CG2-CG2 4.13Å; V252-L323 HydrophobicContact CG1-CD1 4.11Å; V252-V325 HydrophobicContact CG1-CG1 4.3Å; V252-V325 HydrophobicContact CG2-CG1 4.18Å; V252-V351 HydrophobicContact CG1-CG2 4.06Å; V252-V351 HydrophobicContact CG2-CG2 3.83Å; V252-V354 HydrophobicContact CB-CB 4.39Å; V252-V354 HydrophobicContact CB-CG1 4.27Å; V252-V354 HydrophobicContact CB-CG2 4.37Å; V252-V354 HydrophobicContact CG1-CB 4.49Å; V252-V354 HydrophobicContact CG1-CG1 4.32Å; V252-V354 HydrophobicContact CG2-CG2 4.39Å |
| 253 | E | 95.1 | Very high | 89.5 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.8 | 167.4 | -63.4 | -171 | 99.1 | 0 | 0 | 109 | I223 Y242 F243 S324 | I223-E253 HydrophobicContact CD1-CB 3.66Å; Y242-E253 HydrophobicContact CE2-CB 4.32Å; Y242-E253 HydrophobicContact CE2-CG 4.48Å; Y242-E253 PolarHBondContact OH-OE1 3.25Å; F243-E253 WeakPolarHBondContact O-CA 3.48Å; E253-S324 PolarHBondContact N-O 2.87Å; E253-S324 PolarHBondContact O-N 2.78Å; E253-S324 VanDerWaalsContact O-O 3.08Å |
| 254 | F | 96.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.5 | -179.7 | 178.8 | -117.3 | 0 | 0 | 0 | 109.4 | Y242 F243 Y256 M285 A321 V322 L323 I355 M359 | Y242-F254 CarbonylContact C-O 3.49Å; Y242-F254 WeakPolarHBondContact CA-O 3.45Å; F243-F254 AromaticContact CD2-CD1 3.94Å; F243-F254 HydrophobicContact CD2-CD1 3.94Å; F243-F254 PolarHBondContact N-O 2.67Å; F243-F254 PolarHBondContact O-N 2.82Å; F254-Y256 AromaticContact CD1-CD1 3.93Å; F254-Y256 HydrophobicContact CD1-CD1 3.93Å; F254-Y256 HydrophobicContact CD1-CE1 4.49Å; F254-Y256 AromaticContact CE1-CD1 3.34Å; F254-Y256 HydrophobicContact CE1-CD1 3.34Å; F254-Y256 AromaticContact CE1-CE1 3.98Å; F254-Y256 HydrophobicContact CE1-CE1 3.98Å; F254-Y256 HydrophobicContact CE1-CG 4.07Å; F254-Y256 AromaticContact CZ-CD1 3.97Å; F254-Y256 HydrophobicContact CZ-CD1 3.97Å; F254-Y256 HydrophobicContact CZ-CG 4.26Å; F254-M285 HydrophobicContact CD2-CG 4.28Å; F254-M285 HydrophobicContact CE1-CG 4.47Å; F254-M285 HydrophobicContact CE2-CE 4.13Å; F254-M285 HydrophobicContact CE2-CG 3.75Å; F254-M285 HydrophobicContact CE2-SD 4.19Å; F254-M285 HydrophobicContact CZ-CE 4.49Å; F254-M285 HydrophobicContact CZ-CG 3.86Å; F254-M285 HydrophobicContact CZ-SD 4.06Å; F254-A321 HydrophobicContact CE2-CB 3.79Å; F254-A321 HydrophobicContact CZ-CB 4.07Å; F254-V322 WeakPolarHBondContact CA-O 3.3Å; F254-L323 HydrophobicContact CB-CD1 4.16Å; F254-L323 HydrophobicContact CD2-CB 4.05Å; F254-L323 HydrophobicContact CD2-CD1 4.04Å; F254-L323 HydrophobicContact CG-CD1 4.48Å; F254-I355 HydrophobicContact CB-CD1 3.91Å; F254-I355 HydrophobicContact CB-CG1 4.21Å; F254-I355 HydrophobicContact CD1-CD1 3.75Å; F254-I355 HydrophobicContact CD1-CG1 4.1Å; F254-I355 HydrophobicContact CD1-CG2 4.37Å; F254-I355 HydrophobicContact CD2-CD1 4.1Å; F254-I355 HydrophobicContact CE1-CD1 4.26Å; F254-I355 HydrophobicContact CE1-CG2 4.4Å; F254-I355 HydrophobicContact CG-CD1 3.65Å; F254-I355 HydrophobicContact CG-CG1 4.25Å; F254-M359 HydrophobicContact CE1-CE 4.34Å |
| 255 | S | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.4 | 172.8 | -167.8 | 0 | 0 | 0 | 0 | 110.5 | V227 V240 V241 A321 V322 | V227-S255 WeakPolarHBondContact CG2-O 3.23Å; V240-S255 WeakPolarHBondContact CG1-OG 3.23Å; V241-S255 CarbonylContact O-C 3.55Å; V241-S255 WeakPolarHBondContact O-CA 3.37Å; V241-S255 WeakPolarHBondContact O-CB 3.25Å; V241-S255 PolarHBondContact O-OG 3.37Å; S255-A321 CarbonylContact O-C 3.56Å; S255-A321 VanDerWaalsContact O-CA 3.28Å; S255-A321 WeakPolarHBondContact O-CA 3.46Å; S255-V322 PolarHBondContact N-O 3.43Å; S255-V322 PolarHBondContact O-N 3.49Å |
| 256 | Y | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.2 | 178.2 | 73.6 | -84.4 | 0 | 0 | 0 | 112.9 | V241 F243 F254 Y258 L319 S320 M359 Y362 | V241-Y256 HydrophobicContact CB-CD1 3.92Å; V241-Y256 HydrophobicContact CB-CE1 3.46Å; V241-Y256 VanDerWaalsContact CB-CE1 3.46Å; V241-Y256 HydrophobicContact CB-CE2 4.17Å; V241-Y256 HydrophobicContact CB-CG 4.45Å; V241-Y256 HydrophobicContact CG1-CD1 4.31Å; V241-Y256 HydrophobicContact CG1-CE1 3.5Å; V241-Y256 VanDerWaalsContact CG1-CE1 3.5Å; V241-Y256 HydrophobicContact CG2-CE1 4.11Å; V241-Y256 HydrophobicContact CG2-CE2 3.98Å; V241-Y256 PolarHBondContact N-O 3.25Å; V241-Y256 PolarHBondContact O-N 3.41Å; F243-Y256 HydrophobicContact CD2-CE1 4.43Å; F243-Y256 AromaticContact CE2-CE1 3.72Å; F243-Y256 HydrophobicContact CE2-CE1 3.72Å; F243-Y256 AromaticContact CZ-CE1 3.97Å; F243-Y256 HydrophobicContact CZ-CE1 3.97Å; F254-Y256 AromaticContact CD1-CD1 3.93Å; F254-Y256 HydrophobicContact CD1-CD1 3.93Å; F254-Y256 HydrophobicContact CD1-CE1 4.49Å; F254-Y256 AromaticContact CE1-CD1 3.34Å; F254-Y256 HydrophobicContact CE1-CD1 3.34Å; F254-Y256 AromaticContact CE1-CE1 3.98Å; F254-Y256 HydrophobicContact CE1-CE1 3.98Å; F254-Y256 HydrophobicContact CE1-CG 4.07Å; F254-Y256 AromaticContact CZ-CD1 3.97Å; F254-Y256 HydrophobicContact CZ-CD1 3.97Å; F254-Y256 HydrophobicContact CZ-CG 4.26Å; Y256-Y258 HydrophobicContact CD2-CD2 4.12Å; Y256-Y258 AromaticContact CD2-CE2 3.92Å; Y256-Y258 HydrophobicContact CD2-CE2 3.92Å; Y256-Y258 HydrophobicContact CE2-CD2 4.1Å; Y256-Y258 AromaticContact CE2-CE2 3.77Å; Y256-Y258 HydrophobicContact CE2-CE2 3.77Å; Y256-L319 HydrophobicContact CD2-CD1 3.66Å; Y256-L319 HydrophobicContact CG-CD1 4.06Å; Y256-S320 CarbonylContact C-O 3.44Å; Y256-S320 VanDerWaalsContact CA-O 3.24Å; Y256-S320 WeakPolarHBondContact CA-O 3.26Å; Y256-M359 HydrophobicContact CD1-CE 4.42Å; Y256-M359 HydrophobicContact CE1-CE 3.62Å; Y256-M359 HydrophobicContact CE1-SD 4.29Å; Y256-M359 PolarHBondContact OH-SD 3.18Å; Y256-Y362 WeakPolarHBondContact OH-CD1 3.42Å; Y256-Y362 WeakPolarHBondContact OH-CE1 3.36Å |
| 257 | Q | 95.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.3 | 174.5 | -175.5 | -179.1 | 44.4 | 0 | 0 | 109.8 | V227 N231 T236 T238 V240 S320 | V227-Q257 HydrophobicContact CG1-CB 3.43Å; V227-Q257 VanDerWaalsContact CG1-CB 3.43Å; N231-Q257 WeakPolarHBondContact ND2-CB 3.23Å; N231-Q257 PolarHBondContact ND2-OE1 2.84Å; T236-Q257 VanDerWaalsContact CG2-CD 3.46Å; T236-Q257 HydrophobicContact CG2-CG 4.36Å; T238-Q257 VanDerWaalsContact O-CG 3.24Å; T238-Q257 WeakPolarHBondContact O-CG 3.36Å; T238-Q257 PolarHBondContact O-NE2 3.42Å; V240-Q257 HydrophobicContact CG2-CB 4.09Å; V240-Q257 HydrophobicContact CG2-CG 4.23Å; Q257-S320 PolarHBondContact N-O 3.12Å; Q257-S320 PolarHBondContact O-N 3.16Å |
| 258 | Y | 94 | Very high | 88.7 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.3 | 173.8 | -77.5 | -90 | 0 | 0 | 0 | 111.3 | T236 L237 T238 Y256 M289 F293 F315 G318 L319 L373 | T236-Y258 CarbonylContact C-O 3.6Å; L237-Y258 PolarHBondContact N-O 3.21Å; T238-Y258 HydrophobicContact CG2-CD2 4.41Å; T238-Y258 PolarHBondContact OG1-N 3.04Å; T238-Y258 VanDerWaalsContact OG1-N 3.12Å; Y256-Y258 HydrophobicContact CD2-CD2 4.12Å; Y256-Y258 AromaticContact CD2-CE2 3.92Å; Y256-Y258 HydrophobicContact CD2-CE2 3.92Å; Y256-Y258 HydrophobicContact CE2-CD2 4.1Å; Y256-Y258 AromaticContact CE2-CE2 3.77Å; Y256-Y258 HydrophobicContact CE2-CE2 3.77Å; Y258-M289 HydrophobicContact CE2-CE 4.32Å; Y258-M289 WeakPolarHBondContact OH-CE 3.35Å; Y258-F293 HydrophobicContact CE2-CZ 4.25Å; Y258-F315 WeakPolarHBondContact CE1-O 3.21Å; Y258-F315 VanDerWaalsContact CZ-O 3.26Å; Y258-F315 PolarHBondContact OH-O 2.96Å; Y258-G318 CarbonylContact C-O 3.57Å; Y258-G318 WeakPolarHBondContact CA-O 3.43Å; Y258-L319 HydrophobicContact CD1-CB 4.5Å; Y258-L319 HydrophobicContact CD2-CD1 4.22Å; Y258-L319 HydrophobicContact CE1-CB 4.14Å; Y258-L319 HydrophobicContact CE1-CD1 4.16Å; Y258-L319 HydrophobicContact CE2-CD1 3.81Å; Y258-L373 HydrophobicContact CD1-CD2 3.7Å; Y258-L373 HydrophobicContact CD2-CD1 3.58Å; Y258-L373 HydrophobicContact CD2-CD2 3.59Å; Y258-L373 HydrophobicContact CD2-CG 4.23Å; Y258-L373 HydrophobicContact CE1-CD2 4.12Å; Y258-L373 HydrophobicContact CE2-CD1 3.52Å; Y258-L373 HydrophobicContact CE2-CD2 4.03Å; Y258-L373 HydrophobicContact CE2-CG 4.39Å; Y258-L373 HydrophobicContact CG-CD1 4.29Å; Y258-L373 HydrophobicContact CG-CD2 3.38Å; Y258-L373 HydrophobicContact CG-CG 4.47Å |
| 259 | N | 89.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -115.5 | 173.4 | 167 | 60.6 | 63.4 | 0 | 0 | 0 | 110.7 | N231 K234 D235 L237 G261 G318 S320 | N231-N259 PolarHBondContact OD1-ND2 2.99Å; K234-N259 HydrophobicContact CB-CB 3.99Å; K234-N259 HydrophobicContact CD-CB 4.38Å; D235-N259 CarbonylContact O-C 3.57Å; D235-N259 WeakPolarHBondContact O-CA 3.37Å; D235-N259 WeakPolarHBondContact O-CB 3.34Å; L237-N259 VanDerWaalsContact CD1-O 3.25Å; L237-N259 WeakPolarHBondContact CD1-O 3.29Å; N259-G261 PolarHBondContact O-N 2.97Å; N259-G261 VanDerWaalsContact OD1-CA 3.28Å; N259-G261 WeakPolarHBondContact OD1-CA 3.38Å; N259-G261 PolarHBondContact OD1-N 3.24Å; N259-G318 PolarHBondContact N-O 2.94Å; N259-G318 PolarHBondContact ND2-O 3.21Å; N259-G318 PolarHBondContact OD1-O 2.67Å; N259-S320 PolarHBondContact ND2-OG 3.19Å |
| 260 | D | 80.1 | Confident | 89.4 | Confident | 78 Ų | 78 | 26 Ų | 26 | 42% | 0.417 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -72.4 | -6.4 | 178.9 | 68.9 | -33.8 | 0 | 0 | 0 | 114.4 | D235 L237 | D235-D260 HydrophobicContact CB-CB 4.33Å; D235-D260 PolarHBondContact N-OD1 3.47Å; D235-D260 PolarHBondContact O-N 2.92Å; L237-D260 HydrophobicContact CD2-CB 4.33Å |
| 261 | G | 73.6 | Confident | 89.1 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 19% | 0.186 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -70.9 | 174 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | N259 G318 K376 | N259-G261 PolarHBondContact O-N 2.97Å; N259-G261 VanDerWaalsContact OD1-CA 3.28Å; N259-G261 WeakPolarHBondContact OD1-CA 3.38Å; N259-G261 PolarHBondContact OD1-N 3.24Å; G261-G318 WeakPolarHBondContact O-CA 3.41Å; G261-G318 PolarHBondContact O-N 3.32Å; G261-K376 PolarHBondContact O-NZ 3.26Å |
| 262 | Y | 74.2 | Confident | 88.7 | Confident | 158 Ų | 158 | 24.3 Ų | 24.3 | 62% | 0.62 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -106.6 | -11.9 | -177.2 | -58.1 | -73.1 | 0 | 0 | 0 | 113.8 | E317 | Y262-E317 HydrophobicContact CD1-CG 4.23Å; Y262-E317 WeakPolarHBondContact CD1-OE1 3.22Å; Y262-E317 WeakPolarHBondContact O-CG 3.3Å |
| 263 | S | 73.6 | Confident | 88.1 | Confident | 35 Ų | 35 | 25.4 Ų | 25.4 | 25% | 0.245 | 13% | 0.129 | C | C | . | . | trans | -91.7 | 149.1 | -178 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | G318 E610 | S263-G318 VanDerWaalsContact O-CA 3.24Å; S263-G318 WeakPolarHBondContact O-CA 3.49Å; S263-G318 PolarHBondContact O-N 3.19Å; S263-E610 PolarHBondContact OG-OE1 3.31Å | ||
| 264 | E | 86 | Confident | 87.6 | Confident | 72 Ų | 72 | 25.9 Ų | 25.9 | 34% | 0.336 | 13% | 0.129 | S | C | . | . | trans | -91 | 127.5 | 166.3 | 177.4 | -179.3 | 176.4 | 0 | 0 | 107.9 | L266 R316 | E264-L266 HydrophobicContact CG-CB 4.45Å; E264-R316 HydrophobicContact CB-CB 4.34Å; E264-R316 VanDerWaalsContact CD-NE 3.29Å; E264-R316 HydrophobicContact CG-CB 4.03Å; E264-R316 WeakPolarHBondContact OE1-CD 3.28Å; E264-R316 IonicContact OE1-NE 3.07Å; E264-R316 PolarHBondContact OE1-NE 2.84Å; E264-R316 VanDerWaalsContact OE1-NE 3.1Å; E264-R316 IonicContact OE2-CZ 2.66Å; E264-R316 IonicContact OE2-NE 3.38Å; E264-R316 PolarHBondContact OE2-NE 2.82Å; E264-R316 IonicContact OE2-NH2 3.5Å | ||
| 265 | N | 85.9 | Confident | 87.2 | Confident | 32 Ų | 32 | 25.9 Ų | 25.9 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 96.3 | 172 | -174 | 16.9 | 0 | 0 | 0 | 109.6 | L319 S320 A321 | N265-L319 PolarHBondContact N-O 2.88Å; N265-S320 CarbonylContact O-C 3.55Å; N265-S320 VanDerWaalsContact O-CA 3.31Å; N265-S320 WeakPolarHBondContact O-CA 3.45Å; N265-A321 PolarHBondContact O-N 3.36Å |
| 266 | L | 91.7 | Very high | 86.5 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.8 | -179.3 | 175.3 | 62.5 | 0 | 0 | 0 | 110 | E264 E282 M285 A321 | E264-L266 HydrophobicContact CG-CB 4.45Å; L266-E282 HydrophobicContact CD2-CG 4.05Å; L266-E282 WeakPolarHBondContact CD2-OE2 3.43Å; L266-M285 HydrophobicContact CD1-CE 3.3Å; L266-M285 HydrophobicContact CD2-CE 3.37Å; L266-M285 HydrophobicContact CG-CE 3.97Å; L266-A321 WeakPolarHBondContact CA-O 3.33Å; L266-A321 HydrophobicContact CD1-CB 3.95Å |
| 267 | L | 91.6 | Very high | 85.8 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.4 | 169.9 | -58.1 | -171.2 | 0 | 0 | 0 | 109.8 | F226 L230 F269 A321 V322 L323 | F226-L267 HydrophobicContact CE1-CD1 4.14Å; F226-L267 HydrophobicContact CE2-CD1 4.02Å; F226-L267 HydrophobicContact CZ-CD1 3.55Å; L230-L267 HydrophobicContact CD1-CD1 3.83Å; L230-L267 HydrophobicContact CD1-CG 4.13Å; L230-L267 HydrophobicContact CD2-CD1 3.92Å; L230-L267 HydrophobicContact CG-CD1 4.44Å; L267-F269 HydrophobicContact CB-CE2 3.71Å; L267-F269 HydrophobicContact CB-CZ 4.25Å; L267-A321 PolarHBondContact N-O 2.83Å; L267-V322 HydrophobicContact CB-CG2 4.4Å; L267-V322 CarbonylContact O-C 3.22Å; L267-V322 WeakPolarHBondContact O-CA 3.09Å; L267-L323 PolarHBondContact O-N 2.89Å |
| 268 | S | 93.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.3 | 179.1 | 67.5 | 0 | 0 | 0 | 0 | 112 | T275 H281 E282 L323 | S268-T275 PolarHBondContact O-N 2.99Å; S268-T275 PolarHBondContact O-OG1 3.07Å; S268-T275 PolarHBondContact OG-O 3.2Å; S268-T275 VanDerWaalsContact OG-O 3.12Å; S268-T275 PolarHBondContact OG-OG1 2.99Å; S268-H281 PolarHBondContact OG-NE2 2.98Å; S268-E282 WeakPolarHBondContact CB-OE1 3.46Å; S268-E282 PolarHBondContact OG-OE1 2.82Å; S268-L323 CarbonylContact C-O 3.59Å; S268-L323 VanDerWaalsContact CA-O 3.26Å; S268-L323 WeakPolarHBondContact CA-O 3.48Å |
| 269 | F | 92.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.6 | -174.6 | -59.3 | -90 | 0 | 0 | 0 | 110.6 | L196 F226 L267 V273 R274 V322 L323 V325 | L196-F269 HydrophobicContact CD1-CB 4.37Å; L196-F269 HydrophobicContact CD1-CD1 3.46Å; L196-F269 VanDerWaalsContact CD1-CD1 3.46Å; L196-F269 HydrophobicContact CD1-CD2 4.31Å; L196-F269 HydrophobicContact CD1-CE1 3.7Å; L196-F269 HydrophobicContact CD1-CE2 4.5Å; L196-F269 HydrophobicContact CD1-CG 3.8Å; L196-F269 HydrophobicContact CD1-CZ 4.22Å; L196-F269 HydrophobicContact CD2-CB 4.17Å; L196-F269 HydrophobicContact CD2-CD1 4.32Å; L196-F269 HydrophobicContact CD2-CD2 3.67Å; L196-F269 HydrophobicContact CD2-CE2 4.08Å; L196-F269 HydrophobicContact CD2-CG 3.8Å; L196-F269 HydrophobicContact CG-CG 4.47Å; F226-F269 AromaticContact CE1-CE2 3.85Å; F226-F269 HydrophobicContact CE1-CE2 3.85Å; F226-F269 AromaticContact CE1-CZ 3.81Å; F226-F269 HydrophobicContact CE1-CZ 3.81Å; F226-F269 HydrophobicContact CZ-CZ 4.33Å; L267-F269 HydrophobicContact CB-CE2 3.71Å; L267-F269 HydrophobicContact CB-CZ 4.25Å; F269-V273 CarbonylContact C-O 3.52Å; F269-V273 VanDerWaalsContact CA-O 3.25Å; F269-V273 WeakPolarHBondContact CA-O 3.44Å; F269-R274 HydrophobicContact CD1-CB 3.86Å; F269-R274 HydrophobicContact CD1-CG 4.22Å; F269-R274 HydrophobicContact CE1-CB 3.67Å; F269-R274 HydrophobicContact CE1-CG 3.76Å; F269-R274 HydrophobicContact CZ-CG 4.24Å; F269-V322 HydrophobicContact CD2-CG1 4.12Å; F269-V322 HydrophobicContact CE2-CG1 4.02Å; F269-L323 PolarHBondContact N-O 2.91Å; F269-V325 WeakPolarHBondContact O-CG2 3.38Å; F269-V325 PolarHBondContact O-N 3.43Å |
| 270 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.3 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | N272 V273 T275 V325 I327 L332 F334 L342 | V270-N272 VanDerWaalsContact C-N 3.26Å; V270-N272 PolarHBondContact O-N 3.24Å; V270-V273 PolarHBondContact N-O 3.36Å; V270-V273 WeakPolarHBondContact O-CB 3.5Å; V270-V273 PolarHBondContact O-N 2.85Å; V270-T275 HydrophobicContact CB-CG2 4.35Å; V270-T275 HydrophobicContact CG2-CG2 3.68Å; V270-V325 CarbonylContact C-O 3.58Å; V270-V325 WeakPolarHBondContact CA-O 3.27Å; V270-V325 HydrophobicContact CB-CG2 4.18Å; V270-V325 HydrophobicContact CG1-CG2 4.2Å; V270-V325 HydrophobicContact CG2-CG2 3.67Å; V270-I327 HydrophobicContact CG1-CD1 3.87Å; V270-I327 HydrophobicContact CG1-CG1 4.27Å; V270-L332 HydrophobicContact CG1-CD1 3.69Å; V270-F334 HydrophobicContact CB-CE1 4.17Å; V270-F334 HydrophobicContact CB-CZ 4Å; V270-F334 HydrophobicContact CG1-CE1 4.41Å; V270-F334 HydrophobicContact CG1-CZ 3.94Å; V270-F334 HydrophobicContact CG2-CE1 4.46Å; V270-L342 HydrophobicContact CG1-CD1 4.04Å; V270-L342 HydrophobicContact CG2-CB 4.18Å; V270-L342 HydrophobicContact CG2-CD1 4.1Å; V270-L342 HydrophobicContact CG2-CD2 3.93Å; V270-L342 HydrophobicContact CG2-CG 4.28Å |
| 271 | N | 87.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 47.7 | -175.5 | -61.2 | -0.7 | 0 | 0 | 0 | 112.2 | S110 V273 V325 R326 I327 | S110-N271 WeakPolarHBondContact O-CB 3.11Å; S110-N271 PolarHBondContact O-ND2 3.09Å; N271-V273 PolarHBondContact O-N 3.06Å; N271-V273 VanDerWaalsContact O-N 3.12Å; N271-V325 PolarHBondContact N-O 2.89Å; N271-R326 VanDerWaalsContact OD1-CA 3.24Å; N271-R326 WeakPolarHBondContact OD1-CA 3.36Å; N271-I327 PolarHBondContact ND2-O 3.35Å; N271-I327 VanDerWaalsContact ND2-O 3.16Å; N271-I327 PolarHBondContact OD1-N 3.1Å |
| 272 | N | 82.7 | Confident | 87.5 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 1.4 | -174.8 | -62.6 | -8.9 | 0 | 0 | 0 | 116.9 | V47 R189 L196 L197 V270 | V47-N272 WeakPolarHBondContact CG1-ND2 3.28Å; R189-N272 PolarHBondContact NH2-O 3.41Å; L196-N272 WeakPolarHBondContact CB-OD1 3.41Å; L196-N272 HydrophobicContact CD1-CB 4.35Å; L197-N272 VanDerWaalsContact CD2-ND2 3.35Å; L197-N272 WeakPolarHBondContact CD2-ND2 3.35Å; V270-N272 VanDerWaalsContact C-N 3.26Å; V270-N272 PolarHBondContact O-N 3.24Å |
| 273 | V | 83.4 | Confident | 88.4 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 15% | 0.152 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.7 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | F269 V270 N271 T275 K339 | F269-V273 CarbonylContact C-O 3.52Å; F269-V273 VanDerWaalsContact CA-O 3.25Å; F269-V273 WeakPolarHBondContact CA-O 3.44Å; V270-V273 PolarHBondContact N-O 3.36Å; V270-V273 WeakPolarHBondContact O-CB 3.5Å; V270-V273 PolarHBondContact O-N 2.85Å; N271-V273 PolarHBondContact O-N 3.06Å; N271-V273 VanDerWaalsContact O-N 3.12Å; V273-T275 PolarHBondContact O-N 3.28Å; V273-K339 HydrophobicContact CG1-CB 3.98Å; V273-K339 HydrophobicContact CG1-CD 4.3Å |
| 274 | R | 85.4 | Confident | 89.3 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 19% | 0.189 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.7 | 179.4 | -168.3 | 174.3 | -173.9 | -102.5 | 11.1 | 110.5 | F269 K276 | F269-R274 HydrophobicContact CD1-CB 3.86Å; F269-R274 HydrophobicContact CD1-CG 4.22Å; F269-R274 HydrophobicContact CE1-CB 3.67Å; F269-R274 HydrophobicContact CE1-CG 3.76Å; F269-R274 HydrophobicContact CZ-CG 4.24Å; R274-K276 HydrophobicContact CG-CG 4.43Å; R274-K276 PolarHBondContact O-N 3.46Å |
| 275 | T | 87.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | trans | -96.9 | 82.7 | 176.8 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | S268 V270 V273 D277 G278 H281 F334 E340 L342 | S268-T275 PolarHBondContact O-N 2.99Å; S268-T275 PolarHBondContact O-OG1 3.07Å; S268-T275 PolarHBondContact OG-O 3.2Å; S268-T275 VanDerWaalsContact OG-O 3.12Å; S268-T275 PolarHBondContact OG-OG1 2.99Å; V270-T275 HydrophobicContact CB-CG2 4.35Å; V270-T275 HydrophobicContact CG2-CG2 3.68Å; V273-T275 PolarHBondContact O-N 3.28Å; T275-D277 PolarHBondContact O-N 3.46Å; T275-G278 PolarHBondContact O-N 2.96Å; T275-H281 PolarHBondContact OG1-CE1 3.31Å; T275-H281 PolarHBondContact OG1-NE2 3.09Å; T275-F334 HydrophobicContact CG2-CE1 3.92Å; T275-E340 CarbonylContact C-O 3.52Å; T275-E340 WeakPolarHBondContact CA-O 3.42Å; T275-E340 WeakPolarHBondContact CB-O 3.05Å; T275-L342 HydrophobicContact CG2-CB 4.49Å | ||
| 276 | K | 81 | Confident | 90.2 | Very high | 109 Ų | 109 | 24.8 Ų | 24.8 | 47% | 0.474 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.6 | -175.6 | -55.8 | -160.5 | 176.8 | -178.1 | 0 | 113.5 | R274 G278 E340 | R274-K276 HydrophobicContact CG-CG 4.43Å; R274-K276 PolarHBondContact O-N 3.46Å; K276-G278 VanDerWaalsContact C-N 3.28Å; K276-E340 PolarHBondContact N-O 3.41Å; K276-E340 VanDerWaalsContact N-O 3.13Å |
| 277 | D | 83 | Confident | 90.2 | Very high | 103 Ų | 103 | 26.3 Ų | 26.3 | 55% | 0.551 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.7 | 179.7 | -62.5 | -22.5 | 0 | 0 | 0 | 112.2 | T275 E340 K341 | T275-D277 PolarHBondContact O-N 3.46Å; D277-E340 HydrophobicContact CB-CB 4.46Å; D277-E340 PolarHBondContact N-O 3.48Å; D277-K341 HydrophobicContact CB-CB 3.91Å; D277-K341 HydrophobicContact CB-CD 4.09Å; D277-K341 HydrophobicContact CB-CG 4.21Å |
| 278 | G | 89.4 | Confident | 90.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | trans | 68.6 | -135.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T275 K276 H281 E282 K341 L342 | T275-G278 PolarHBondContact O-N 2.96Å; K276-G278 VanDerWaalsContact C-N 3.28Å; G278-H281 PolarHBondContact O-CE1 3.07Å; G278-E282 VanDerWaalsContact CA-CD 3.47Å; G278-E282 VanDerWaalsContact CA-OE1 3.29Å; G278-E282 WeakPolarHBondContact CA-OE1 3Å; G278-K341 VanDerWaalsContact O-CA 3.3Å; G278-K341 WeakPolarHBondContact O-CA 3.25Å; G278-K341 WeakPolarHBondContact O-CG 3.42Å; G278-L342 PolarHBondContact O-N 3.13Å | ||
| 279 | G | 92.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 25.9 Ų | 25.9 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | 146.3 | -159.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | H281 E282 S283 L342 | G279-H281 PolarHBondContact O-N 3.23Å; G279-E282 PolarHBondContact O-N 2.68Å; G279-S283 PolarHBondContact O-N 3.46Å; G279-S283 VanDerWaalsContact O-N 3.1Å; G279-L342 VanDerWaalsContact CA-O 3.26Å; G279-L342 WeakPolarHBondContact CA-O 3.47Å |
| 280 | T | 94.6 | Very high | 90.4 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 17% | 0.172 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | -176.4 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | S283 G284 L342 T344 R348 | T280-S283 PolarHBondContact O-N 3.31Å; T280-G284 PolarHBondContact O-N 3.01Å; T280-G284 VanDerWaalsContact O-N 3.1Å; T280-L342 PolarHBondContact N-O 3.04Å; T280-L342 VanDerWaalsContact N-O 3.1Å; T280-L342 WeakPolarHBondContact OG1-CD2 3.47Å; T280-T344 VanDerWaalsContact CB-O 3.24Å; T280-T344 WeakPolarHBondContact CB-O 3.48Å; T280-T344 PolarHBondContact OG1-O 3.46Å; T280-R348 VanDerWaalsContact O-CA 3.29Å; T280-R348 WeakPolarHBondContact O-CA 3.41Å; T280-R348 WeakPolarHBondContact O-CB 3.41Å |
| 281 | H | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.7 | 57.7 | -47.3 | 0 | 0 | 0 | 112.1 | S268 T275 G278 G279 S283 G284 M285 L323 V325 L342 A347 V351 | S268-H281 PolarHBondContact OG-NE2 2.98Å; T275-H281 PolarHBondContact OG1-CE1 3.31Å; T275-H281 PolarHBondContact OG1-NE2 3.09Å; G278-H281 PolarHBondContact O-CE1 3.07Å; G279-H281 PolarHBondContact O-N 3.23Å; H281-S283 VanDerWaalsContact C-N 3.33Å; H281-S283 PolarHBondContact O-N 3.34Å; H281-G284 PolarHBondContact O-N 2.95Å; H281-M285 PolarHBondContact O-N 3.06Å; H281-L323 HydrophobicContact CB-CD2 4.18Å; H281-V325 HydrophobicContact CB-CG1 4.19Å; H281-V325 HydrophobicContact CB-CG2 4.19Å; H281-L342 HydrophobicContact CB-CD2 3.9Å; H281-L342 WeakPolarHBondContact ND1-CB 3.35Å; H281-L342 WeakPolarHBondContact ND1-CD2 3.37Å; H281-A347 HydrophobicContact CB-CB 4.41Å; H281-V351 HydrophobicContact CB-CG2 4.01Å; H281-V351 WeakPolarHBondContact O-CG1 3.4Å |
| 282 | E | 94.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 33 Ų | 33 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 176 | -79.3 | -163.3 | -159.5 | 0 | 0 | 112.6 | L266 S268 G278 G279 G284 M285 K286 L323 | L266-E282 HydrophobicContact CD2-CG 4.05Å; L266-E282 WeakPolarHBondContact CD2-OE2 3.43Å; S268-E282 WeakPolarHBondContact CB-OE1 3.46Å; S268-E282 PolarHBondContact OG-OE1 2.82Å; G278-E282 VanDerWaalsContact CA-CD 3.47Å; G278-E282 VanDerWaalsContact CA-OE1 3.29Å; G278-E282 WeakPolarHBondContact CA-OE1 3Å; G279-E282 PolarHBondContact O-N 2.68Å; E282-G284 VanDerWaalsContact C-N 3.27Å; E282-G284 PolarHBondContact O-N 3.49Å; E282-M285 PolarHBondContact O-N 3.19Å; E282-K286 WeakPolarHBondContact O-CB 3.4Å; E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 2.78Å; E282-K286 IonicContact OE2-NZ 3.78Å; E282-K286 PolarHBondContact OE2-NZ 3.16Å; E282-L323 HydrophobicContact CG-CD2 4.39Å |
| 283 | S | 93 | Very high | 91.4 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 32% | 0.315 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60 | -39.8 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | G279 T280 H281 T287 | G279-S283 PolarHBondContact O-N 3.46Å; G279-S283 VanDerWaalsContact O-N 3.1Å; T280-S283 PolarHBondContact O-N 3.31Å; H281-S283 VanDerWaalsContact C-N 3.33Å; H281-S283 PolarHBondContact O-N 3.34Å; S283-T287 WeakPolarHBondContact O-CB 3.34Å; S283-T287 PolarHBondContact O-N 2.77Å; S283-T287 VanDerWaalsContact O-N 3.09Å; S283-T287 PolarHBondContact O-OG1 2.73Å |
| 284 | G | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T280 H281 E282 T287 S288 | T280-G284 PolarHBondContact O-N 3.01Å; T280-G284 VanDerWaalsContact O-N 3.1Å; H281-G284 PolarHBondContact O-N 2.95Å; E282-G284 VanDerWaalsContact C-N 3.27Å; E282-G284 PolarHBondContact O-N 3.49Å; G284-T287 PolarHBondContact O-N 2.85Å; G284-S288 WeakPolarHBondContact O-CB 3.35Å; G284-S288 PolarHBondContact O-N 3.17Å; G284-S288 PolarHBondContact O-OG 2.77Å |
| 285 | M | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -51.9 | 176.7 | -179.3 | -83.1 | -80.2 | 0 | 0 | 112 | F254 L266 H281 E282 T287 S288 M289 L323 V351 I355 | F254-M285 HydrophobicContact CD2-CG 4.28Å; F254-M285 HydrophobicContact CE1-CG 4.47Å; F254-M285 HydrophobicContact CE2-CE 4.13Å; F254-M285 HydrophobicContact CE2-CG 3.75Å; F254-M285 HydrophobicContact CE2-SD 4.19Å; F254-M285 HydrophobicContact CZ-CE 4.49Å; F254-M285 HydrophobicContact CZ-CG 3.86Å; F254-M285 HydrophobicContact CZ-SD 4.06Å; L266-M285 HydrophobicContact CD1-CE 3.3Å; L266-M285 HydrophobicContact CD2-CE 3.37Å; L266-M285 HydrophobicContact CG-CE 3.97Å; H281-M285 PolarHBondContact O-N 3.06Å; E282-M285 PolarHBondContact O-N 3.19Å; M285-T287 VanDerWaalsContact C-N 3.25Å; M285-T287 PolarHBondContact O-N 2.85Å; M285-S288 WeakPolarHBondContact CA-OG 3.31Å; M285-S288 PolarHBondContact O-N 3.46Å; M285-S288 PolarHBondContact O-OG 2.97Å; M285-M289 VanDerWaalsContact O-CB 3.29Å; M285-M289 WeakPolarHBondContact O-CB 3.12Å; M285-M289 PolarHBondContact O-N 3Å; M285-M289 HydrophobicContact SD-SD 4.13Å; M285-L323 HydrophobicContact CB-CD2 4.08Å; M285-V351 HydrophobicContact CB-CG1 3.86Å; M285-I355 HydrophobicContact CB-CD1 3.7Å; M285-I355 HydrophobicContact CG-CD1 3.45Å; M285-I355 VanDerWaalsContact CG-CD1 3.45Å |
| 286 | K | 94.4 | Very high | 92.5 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.3 | -38.9 | -177.9 | -74.9 | 168.9 | 173.8 | 157.6 | 0 | 111.5 | E282 T290 | E282-K286 WeakPolarHBondContact O-CB 3.4Å; E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 2.78Å; E282-K286 IonicContact OE2-NZ 3.78Å; E282-K286 PolarHBondContact OE2-NZ 3.16Å; K286-T290 WeakPolarHBondContact O-CB 3.25Å; K286-T290 PolarHBondContact O-N 3.08Å; K286-T290 PolarHBondContact O-OG1 2.92Å |
| 287 | T | 93.1 | Very high | 93 | Very high | 60 Ų | 60 | 29.1 Ų | 29.1 | 37% | 0.368 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.1 | -51.6 | 178.9 | -55 | 0 | 0 | 0 | 0 | 111.9 | S283 G284 M285 T290 K291 | S283-T287 WeakPolarHBondContact O-CB 3.34Å; S283-T287 PolarHBondContact O-N 2.77Å; S283-T287 VanDerWaalsContact O-N 3.09Å; S283-T287 PolarHBondContact O-OG1 2.73Å; G284-T287 PolarHBondContact O-N 2.85Å; M285-T287 VanDerWaalsContact C-N 3.25Å; M285-T287 PolarHBondContact O-N 2.85Å; T287-T290 PolarHBondContact O-N 3.39Å; T287-K291 WeakPolarHBondContact O-CB 3.37Å; T287-K291 PolarHBondContact O-N 3.2Å; T287-K291 VanDerWaalsContact O-N 3.08Å |
| 288 | S | 93.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | -177.8 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | G284 M285 T290 K291 A292 D352 I355 | G284-S288 WeakPolarHBondContact O-CB 3.35Å; G284-S288 PolarHBondContact O-N 3.17Å; G284-S288 PolarHBondContact O-OG 2.77Å; M285-S288 WeakPolarHBondContact CA-OG 3.31Å; M285-S288 PolarHBondContact O-N 3.46Å; M285-S288 PolarHBondContact O-OG 2.97Å; S288-T290 PolarHBondContact O-N 3.39Å; S288-K291 PolarHBondContact O-N 2.7Å; S288-A292 WeakPolarHBondContact O-CB 3.44Å; S288-A292 PolarHBondContact O-N 3.08Å; S288-D352 WeakPolarHBondContact CB-O 3.35Å; S288-D352 VanDerWaalsContact CB-OD1 3.25Å; S288-D352 WeakPolarHBondContact CB-OD1 3.35Å; S288-I355 WeakPolarHBondContact OG-CG2 3.46Å |
| 289 | M | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 178.8 | -178.7 | 172.4 | -179.7 | 0 | 0 | 111.6 | Y258 M285 K291 A292 F293 R316 L319 M359 | Y258-M289 HydrophobicContact CE2-CE 4.32Å; Y258-M289 WeakPolarHBondContact OH-CE 3.35Å; M285-M289 VanDerWaalsContact O-CB 3.29Å; M285-M289 WeakPolarHBondContact O-CB 3.12Å; M285-M289 PolarHBondContact O-N 3Å; M285-M289 HydrophobicContact SD-SD 4.13Å; M289-K291 VanDerWaalsContact C-N 3.28Å; M289-K291 PolarHBondContact O-N 2.99Å; M289-A292 PolarHBondContact O-N 3.34Å; M289-F293 HydrophobicContact CE-CD2 4.36Å; M289-F293 HydrophobicContact CE-CE2 3.66Å; M289-F293 HydrophobicContact CG-CD2 3.87Å; M289-F293 HydrophobicContact CG-CE2 3.92Å; M289-F293 WeakPolarHBondContact O-CD2 3.45Å; M289-F293 PolarHBondContact O-N 3.28Å; M289-R316 HydrophobicContact CE-CG 4.44Å; M289-R316 HydrophobicContact SD-CG 4.41Å; M289-L319 HydrophobicContact CE-CD1 3.92Å; M289-L319 HydrophobicContact CE-CD2 3.73Å; M289-L319 HydrophobicContact CE-CG 4.45Å; M289-L319 HydrophobicContact SD-CD2 4.02Å; M289-M359 HydrophobicContact CG-CE 4.05Å; M289-M359 HydrophobicContact SD-CE 4.42Å |
| 290 | T | 93.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -39.5 | 178.5 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | K286 T287 S288 N294 G312 | K286-T290 WeakPolarHBondContact O-CB 3.25Å; K286-T290 PolarHBondContact O-N 3.08Å; K286-T290 PolarHBondContact O-OG1 2.92Å; T287-T290 PolarHBondContact O-N 3.39Å; S288-T290 PolarHBondContact O-N 3.39Å; T290-N294 WeakPolarHBondContact O-CB 3.49Å; T290-N294 PolarHBondContact O-N 2.81Å; T290-N294 PolarHBondContact O-ND2 2.88Å; T290-G312 WeakPolarHBondContact OG1-CA 3.34Å |
| 291 | K | 94 | Very high | 92.8 | Very high | 123 Ų | 123 | 38.2 Ų | 38.2 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.3 | -50.4 | 177.3 | -177.9 | -177.8 | 171.3 | -170.3 | 0 | 111.4 | T287 S288 M289 F293 N294 E295 | T287-K291 WeakPolarHBondContact O-CB 3.37Å; T287-K291 PolarHBondContact O-N 3.2Å; T287-K291 VanDerWaalsContact O-N 3.08Å; S288-K291 PolarHBondContact O-N 2.7Å; M289-K291 VanDerWaalsContact C-N 3.28Å; M289-K291 PolarHBondContact O-N 2.99Å; K291-F293 PolarHBondContact O-N 3.39Å; K291-N294 PolarHBondContact O-N 2.91Å; K291-E295 WeakPolarHBondContact CE-OE1 3.4Å; K291-E295 HydrophobicContact CG-CG 4.5Å; K291-E295 WeakPolarHBondContact CG-OE1 3.46Å; K291-E295 WeakPolarHBondContact O-CB 3.47Å; K291-E295 WeakPolarHBondContact O-CG 3.43Å; K291-E295 PolarHBondContact O-N 2.73Å |
| 292 | A | 93.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S288 M289 E295 Y296 M359 L363 | S288-A292 WeakPolarHBondContact O-CB 3.44Å; S288-A292 PolarHBondContact O-N 3.08Å; M289-A292 PolarHBondContact O-N 3.34Å; A292-E295 PolarHBondContact O-N 3.41Å; A292-Y296 WeakPolarHBondContact O-CB 3.47Å; A292-Y296 PolarHBondContact O-N 3.19Å; A292-M359 HydrophobicContact CB-CB 3.98Å; A292-M359 HydrophobicContact CB-CG 3.61Å; A292-L363 HydrophobicContact CB-CD1 4.27Å |
| 293 | F | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.3 | -88.9 | -77 | 0 | 0 | 0 | 113.4 | Y258 M289 K291 Y296 A297 F315 M359 L363 L373 V374 | Y258-F293 HydrophobicContact CE2-CZ 4.25Å; M289-F293 HydrophobicContact CE-CD2 4.36Å; M289-F293 HydrophobicContact CE-CE2 3.66Å; M289-F293 HydrophobicContact CG-CD2 3.87Å; M289-F293 HydrophobicContact CG-CE2 3.92Å; M289-F293 WeakPolarHBondContact O-CD2 3.45Å; M289-F293 PolarHBondContact O-N 3.28Å; K291-F293 PolarHBondContact O-N 3.39Å; F293-Y296 PolarHBondContact O-N 2.93Å; F293-A297 VanDerWaalsContact O-CB 3.23Å; F293-A297 WeakPolarHBondContact O-CB 3.22Å; F293-A297 PolarHBondContact O-N 3.1Å; F293-F315 HydrophobicContact CB-CD1 3.68Å; F293-F315 HydrophobicContact CB-CD2 3.91Å; F293-F315 HydrophobicContact CB-CE1 3.48Å; F293-F315 VanDerWaalsContact CB-CE1 3.48Å; F293-F315 HydrophobicContact CB-CE2 3.67Å; F293-F315 HydrophobicContact CB-CG 3.9Å; F293-F315 HydrophobicContact CB-CZ 3.45Å; F293-F315 VanDerWaalsContact CB-CZ 3.45Å; F293-F315 AromaticContact CD1-CD1 3.84Å; F293-F315 HydrophobicContact CD1-CD1 3.84Å; F293-F315 AromaticContact CD1-CE1 3.92Å; F293-F315 HydrophobicContact CD1-CE1 3.92Å; F293-F315 HydrophobicContact CD2-CB 4.47Å; F293-F315 HydrophobicContact CD2-CD1 4.32Å; F293-F315 HydrophobicContact CD2-CG 4.33Å; F293-F315 AromaticContact CG-CD1 3.71Å; F293-F315 HydrophobicContact CG-CD1 3.71Å; F293-F315 AromaticContact CG-CE1 3.9Å; F293-F315 HydrophobicContact CG-CE1 3.9Å; F293-F315 HydrophobicContact CG-CG 4.06Å; F293-F315 HydrophobicContact CG-CZ 4.35Å; F293-M359 HydrophobicContact CE2-CE 4.39Å; F293-M359 HydrophobicContact CE2-SD 4.11Å; F293-L363 HydrophobicContact CD1-CD1 4.05Å; F293-L363 HydrophobicContact CD1-CD2 3.94Å; F293-L363 HydrophobicContact CD2-CD1 4.44Å; F293-L363 HydrophobicContact CE1-CD1 4.34Å; F293-L363 HydrophobicContact CE1-CD2 3.46Å; F293-L363 VanDerWaalsContact CE1-CD2 3.46Å; F293-L363 HydrophobicContact CE2-CD2 4.49Å; F293-L363 HydrophobicContact CG-CD1 4.11Å; F293-L363 HydrophobicContact CZ-CD2 3.78Å; F293-L373 HydrophobicContact CE1-CB 4.06Å; F293-L373 HydrophobicContact CE1-CD1 4.03Å; F293-L373 HydrophobicContact CZ-CD1 3.97Å; F293-V374 HydrophobicContact CD1-CG2 4.22Å |
| 294 | N | 94.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.4 | -85.4 | -63.1 | 0 | 0 | 0 | 111.6 | T290 K291 A297 R298 N309 L310 | T290-N294 WeakPolarHBondContact O-CB 3.49Å; T290-N294 PolarHBondContact O-N 2.81Å; T290-N294 PolarHBondContact O-ND2 2.88Å; K291-N294 PolarHBondContact O-N 2.91Å; N294-A297 PolarHBondContact O-N 3.06Å; N294-R298 PolarHBondContact O-N 3.27Å; N294-R298 VanDerWaalsContact O-N 3.13Å; N294-N309 WeakPolarHBondContact OD1-CA 3.15Å; N294-N309 WeakPolarHBondContact OD1-CB 3.15Å; N294-L310 PolarHBondContact ND2-O 3.46Å; N294-L310 PolarHBondContact OD1-N 3.2Å |
| 295 | E | 92.2 | Very high | 90.9 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.9 | -73.9 | 179 | -171.9 | 0 | 0 | 111.8 | K291 A292 K299 | K291-E295 WeakPolarHBondContact CE-OE1 3.4Å; K291-E295 HydrophobicContact CG-CG 4.5Å; K291-E295 WeakPolarHBondContact CG-OE1 3.46Å; K291-E295 WeakPolarHBondContact O-CB 3.47Å; K291-E295 WeakPolarHBondContact O-CG 3.43Å; K291-E295 PolarHBondContact O-N 2.73Å; A292-E295 PolarHBondContact O-N 3.41Å; E295-K299 WeakPolarHBondContact O-CG 3.34Å; E295-K299 PolarHBondContact O-N 3.17Å; E295-K299 VanDerWaalsContact O-N 3.1Å |
| 296 | Y | 92.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.7 | 176.3 | -96.1 | 0 | 0 | 0 | 112.3 | A292 F293 R298 K299 A300 L363 S367 S370 Q371 V374 | A292-Y296 WeakPolarHBondContact O-CB 3.47Å; A292-Y296 PolarHBondContact O-N 3.19Å; F293-Y296 PolarHBondContact O-N 2.93Å; Y296-R298 VanDerWaalsContact C-N 3.27Å; Y296-R298 PolarHBondContact O-N 2.72Å; Y296-K299 PolarHBondContact O-N 3.18Å; Y296-K299 VanDerWaalsContact O-N 3.1Å; Y296-A300 HydrophobicContact CE1-CB 4.08Å; Y296-A300 WeakPolarHBondContact O-CB 3.3Å; Y296-A300 PolarHBondContact O-N 2.84Å; Y296-L363 HydrophobicContact CD2-CB 3.8Å; Y296-L363 HydrophobicContact CE2-CB 4.36Å; Y296-L363 WeakPolarHBondContact CE2-O 3.43Å; Y296-L363 HydrophobicContact CG-CB 3.93Å; Y296-L363 HydrophobicContact CG-CD1 4.33Å; Y296-S367 WeakPolarHBondContact OH-CA 3.43Å; Y296-S367 PolarHBondContact OH-O 3Å; Y296-S370 VanDerWaalsContact CZ-CB 3.41Å; Y296-Q371 HydrophobicContact CE1-CG 4.43Å; Y296-V374 HydrophobicContact CD1-CG2 3.92Å; Y296-V374 HydrophobicContact CE1-CG2 4.26Å |
| 297 | A | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -35.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F293 N294 G301 L302 L303 V374 | F293-A297 VanDerWaalsContact O-CB 3.23Å; F293-A297 WeakPolarHBondContact O-CB 3.22Å; F293-A297 PolarHBondContact O-N 3.1Å; N294-A297 PolarHBondContact O-N 3.06Å; A297-G301 PolarHBondContact O-N 3.08Å; A297-L302 PolarHBondContact O-N 2.92Å; A297-L303 HydrophobicContact CB-CB 4.42Å; A297-L303 HydrophobicContact CB-CD1 3.61Å; A297-L303 HydrophobicContact CB-CG 4.17Å; A297-L303 PolarHBondContact O-N 3.48Å; A297-L303 VanDerWaalsContact O-N 3.11Å; A297-V374 HydrophobicContact CB-CB 4.45Å; A297-V374 HydrophobicContact CB-CG1 3.55Å; A297-V374 HydrophobicContact CB-CG2 3.95Å |
| 298 | R | 90.9 | Very high | 89.3 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.3 | -47.6 | 171.5 | -73 | -176 | 178.3 | 151.6 | -8.2 | 112.2 | N294 Y296 A300 G301 L303 N309 | N294-R298 PolarHBondContact O-N 3.27Å; N294-R298 VanDerWaalsContact O-N 3.13Å; Y296-R298 VanDerWaalsContact C-N 3.27Å; Y296-R298 PolarHBondContact O-N 2.72Å; R298-A300 VanDerWaalsContact C-N 3.27Å; R298-A300 PolarHBondContact O-N 3.25Å; R298-G301 PolarHBondContact O-N 3.37Å; R298-L303 HydrophobicContact CG-CB 4.23Å; R298-N309 PolarHBondContact NH2-OD1 3.16Å |
| 299 | K | 88.2 | Confident | 89.1 | Confident | 154 Ų | 154 | 69.7 Ų | 69.7 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.1 | -36.8 | 177.7 | -76.6 | 177.1 | 178.4 | 175.3 | 0 | 112.7 | E295 Y296 G301 | E295-K299 WeakPolarHBondContact O-CG 3.34Å; E295-K299 PolarHBondContact O-N 3.17Å; E295-K299 VanDerWaalsContact O-N 3.1Å; Y296-K299 PolarHBondContact O-N 3.18Å; Y296-K299 VanDerWaalsContact O-N 3.1Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.93Å |
| 300 | A | 88.1 | Confident | 88.9 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y296 R298 L302 | Y296-A300 HydrophobicContact CE1-CB 4.08Å; Y296-A300 WeakPolarHBondContact O-CB 3.3Å; Y296-A300 PolarHBondContact O-N 2.84Å; R298-A300 VanDerWaalsContact C-N 3.27Å; R298-A300 PolarHBondContact O-N 3.25Å; A300-L302 HydrophobicContact CB-CD1 4.43Å; A300-L302 HydrophobicContact CB-CG 4.3Å; A300-L302 PolarHBondContact O-N 3.21Å |
| 301 | G | 86.3 | Confident | 88.7 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 14.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A297 R298 K299 | A297-G301 PolarHBondContact O-N 3.08Å; R298-G301 PolarHBondContact O-N 3.37Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.93Å |
| 302 | L | 87.8 | Confident | 88.3 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -80.6 | -27.2 | 177.7 | -66.2 | 176.7 | 0 | 0 | 0 | 112.5 | A297 A300 Q371 V374 R375 I378 | A297-L302 PolarHBondContact O-N 2.92Å; A300-L302 HydrophobicContact CB-CD1 4.43Å; A300-L302 HydrophobicContact CB-CG 4.3Å; A300-L302 PolarHBondContact O-N 3.21Å; L302-Q371 HydrophobicContact CD1-CB 4.05Å; L302-Q371 HydrophobicContact CD1-CG 3.98Å; L302-V374 HydrophobicContact CB-CG1 3.79Å; L302-V374 HydrophobicContact CD1-CB 3.65Å; L302-V374 HydrophobicContact CD1-CG1 3.51Å; L302-V374 HydrophobicContact CD1-CG2 4.41Å; L302-V374 HydrophobicContact CG-CG1 4.31Å; L302-R375 HydrophobicContact CD2-CG 4.48Å; L302-I378 HydrophobicContact CB-CD1 4.32Å |
| 303 | L | 86.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -113.4 | 129.4 | 166.6 | -80.6 | 164.1 | 0 | 0 | 0 | 108.9 | A297 R298 D307 L310 R381 | A297-L303 HydrophobicContact CB-CB 4.42Å; A297-L303 HydrophobicContact CB-CD1 3.61Å; A297-L303 HydrophobicContact CB-CG 4.17Å; A297-L303 PolarHBondContact O-N 3.48Å; A297-L303 VanDerWaalsContact O-N 3.11Å; R298-L303 HydrophobicContact CG-CB 4.23Å; L303-D307 HydrophobicContact CD2-CB 3.81Å; L303-L310 HydrophobicContact CD1-CD1 3.92Å; L303-L310 HydrophobicContact CD1-CG 3.97Å; L303-L310 HydrophobicContact CD2-CG 4.45Å; L303-R381 VanDerWaalsContact CD2-NH1 3.34Å |
| 304 | K | 84.7 | Confident | 87.6 | Confident | 153 Ų | 153 | 69.6 Ų | 69.6 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | trans | -75.1 | 158 | 174 | -58.4 | 174.2 | -178.3 | 174.3 | 0 | 110.1 | K306 D307 | K304-K306 PolarHBondContact O-N 2.99Å; K304-D307 WeakPolarHBondContact CB-OD2 3.38Å; K304-D307 PolarHBondContact N-OD2 2.89Å; K304-D307 WeakPolarHBondContact O-CB 3.25Å; K304-D307 PolarHBondContact O-N 3.35Å | ||
| 305 | E | 78.9 | Confident | 87.5 | Confident | 153 Ų | 153 | 69.5 Ų | 69.5 | 72% | 0.715 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.1 | 177.9 | -79.5 | -59.5 | 152 | 0 | 0 | 114.5 | ||
| 306 | K | 81.9 | Confident | 87.4 | Confident | 203 Ų | 203 | 66.9 Ų | 66.9 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.7 | 177.6 | -64.3 | -175.9 | -179.2 | 179.6 | 0 | 113.8 | K304 | K304-K306 PolarHBondContact O-N 2.99Š|
| 307 | D | 82.9 | Confident | 87 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -72.5 | 141.6 | -178.4 | -64.4 | -19.1 | 0 | 0 | 0 | 109.3 | L303 K304 | L303-D307 HydrophobicContact CD2-CB 3.81Å; K304-D307 WeakPolarHBondContact CB-OD2 3.38Å; K304-D307 PolarHBondContact N-OD2 2.89Å; K304-D307 WeakPolarHBondContact O-CB 3.25Å; K304-D307 PolarHBondContact O-N 3.35Å |
| 308 | K | 85.5 | Confident | 86.7 | Confident | 166 Ų | 166 | 67.8 Ų | 67.8 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 142 | 172.3 | -69.3 | -176.9 | -178.9 | 177.1 | 0 | 109.4 | R381 | K308-R381 PolarHBondContact O-NH1 3.42Å; K308-R381 VanDerWaalsContact O-NH1 3.08Å |
| 309 | N | 89.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -54 | 144.9 | 170.8 | -81.1 | -7 | 0 | 0 | 0 | 110.6 | N294 R298 | N294-N309 WeakPolarHBondContact OD1-CA 3.15Å; N294-N309 WeakPolarHBondContact OD1-CB 3.15Å; R298-N309 PolarHBondContact NH2-OD1 3.16Å |
| 310 | L | 89.6 | Confident | 87 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.2 | 168.4 | -66.2 | 167.8 | 0 | 0 | 0 | 108.5 | N294 L303 D314 F315 A377 I378 R381 | N294-L310 PolarHBondContact ND2-O 3.46Å; N294-L310 PolarHBondContact OD1-N 3.2Å; L303-L310 HydrophobicContact CD1-CD1 3.92Å; L303-L310 HydrophobicContact CD1-CG 3.97Å; L303-L310 HydrophobicContact CD2-CG 4.45Å; L310-D314 HydrophobicContact CB-CB 4.3Å; L310-D314 HydrophobicContact CD2-CB 4.46Å; L310-F315 HydrophobicContact CB-CD2 4.26Å; L310-F315 HydrophobicContact CB-CE1 4.4Å; L310-F315 HydrophobicContact CB-CE2 3.47Å; L310-F315 VanDerWaalsContact CB-CE2 3.47Å; L310-F315 HydrophobicContact CB-CZ 3.56Å; L310-F315 HydrophobicContact CD1-CE1 3.64Å; L310-F315 HydrophobicContact CD1-CE2 4.2Å; L310-F315 HydrophobicContact CD1-CZ 3.36Å; L310-F315 HydrophobicContact CG-CE2 4.45Å; L310-F315 HydrophobicContact CG-CZ 4.05Å; L310-A377 HydrophobicContact CD1-CB 3.9Å; L310-I378 HydrophobicContact CD1-CG1 4.03Å; L310-I378 HydrophobicContact CD2-CG1 4.31Å; L310-R381 HydrophobicContact CD2-CB 3.55Å; L310-R381 HydrophobicContact CD2-CG 4.15Å |
| 311 | E | 88.6 | Confident | 87.4 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 156.1 | 177.1 | -72.6 | 172.4 | -156.8 | 0 | 0 | 110 | S313 D314 R384 | E311-S313 PolarHBondContact O-N 2.93Å; E311-D314 PolarHBondContact N-OD2 3.48Å; E311-D314 VanDerWaalsContact O-CB 3.31Å; E311-D314 WeakPolarHBondContact O-CB 3.08Å; E311-D314 PolarHBondContact O-N 3.12Å; E311-R384 VanDerWaalsContact CD-NH2 3.26Å; E311-R384 IonicContact OE1-CZ 3.96Å; E311-R384 VanDerWaalsContact OE1-CZ 3.25Å; E311-R384 IonicContact OE1-NH1 2.76Å; E311-R384 PolarHBondContact OE1-NH1 3.42Å; E311-R384 IonicContact OE1-NH2 3.53Å; E311-R384 PolarHBondContact OE1-NH2 2.99Å; E311-R384 IonicContact OE2-CZ 2.77Å; E311-R384 IonicContact OE2-NE 3.43Å; E311-R384 IonicContact OE2-NH1 3.97Å; E311-R384 PolarHBondContact OE2-NH1 3.03Å; E311-R384 VanDerWaalsContact OE2-NH1 3.08Å; E311-R384 IonicContact OE2-NH2 3.73Å |
| 312 | G | 87.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -33.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T290 D314 F315 R316 | T290-G312 WeakPolarHBondContact OG1-CA 3.34Å; G312-D314 VanDerWaalsContact C-N 3.28Å; G312-D314 PolarHBondContact O-N 2.94Å; G312-F315 PolarHBondContact O-N 3.25Å; G312-R316 VanDerWaalsContact C-CZ 3.46Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.38Å; G312-R316 PolarHBondContact O-N 2.94Å; G312-R316 VanDerWaalsContact O-N 3.17Å; G312-R316 PolarHBondContact O-NH1 3.31Å |
| 313 | S | 84.7 | Confident | 88.2 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 173.6 | 50.4 | 0 | 0 | 0 | 0 | 113 | E311 F315 R316 E317 | E311-S313 PolarHBondContact O-N 2.93Å; S313-F315 PolarHBondContact O-N 2.7Å; S313-R316 PolarHBondContact O-N 3.24Å; S313-E317 PolarHBondContact O-N 3.04Å |
| 314 | D | 88.1 | Confident | 88.6 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -32.6 | 179.6 | -58.1 | -30.5 | 0 | 0 | 0 | 110.4 | L310 E311 G312 A377 A380 R384 | L310-D314 HydrophobicContact CB-CB 4.3Å; L310-D314 HydrophobicContact CD2-CB 4.46Å; E311-D314 PolarHBondContact N-OD2 3.48Å; E311-D314 VanDerWaalsContact O-CB 3.31Å; E311-D314 WeakPolarHBondContact O-CB 3.08Å; E311-D314 PolarHBondContact O-N 3.12Å; G312-D314 VanDerWaalsContact C-N 3.28Å; G312-D314 PolarHBondContact O-N 2.94Å; D314-A377 HydrophobicContact CB-CB 4.35Å; D314-A377 WeakPolarHBondContact O-CA 3.29Å; D314-A377 VanDerWaalsContact O-CB 3.27Å; D314-A377 WeakPolarHBondContact O-CB 3.46Å; D314-A380 HydrophobicContact CB-CB 4.34Å; D314-R384 IonicContact OD1-CZ 2.59Å; D314-R384 IonicContact OD1-NE 2.94Å; D314-R384 PolarHBondContact OD1-NE 2.77Å; D314-R384 IonicContact OD1-NH2 3.56Å; D314-R384 IonicContact OD2-CZ 3.06Å; D314-R384 IonicContact OD2-NE 3.01Å; D314-R384 IonicContact OD2-NH2 2.75Å; D314-R384 PolarHBondContact OD2-NH2 3.2Å |
| 315 | F | 91.1 | Very high | 89 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -85.8 | -22.9 | 176.5 | -68.2 | -63.2 | 0 | 0 | 0 | 114.4 | Y258 F293 L310 G312 S313 V374 A377 | Y258-F315 WeakPolarHBondContact CE1-O 3.21Å; Y258-F315 VanDerWaalsContact CZ-O 3.26Å; Y258-F315 PolarHBondContact OH-O 2.96Å; F293-F315 HydrophobicContact CB-CD1 3.68Å; F293-F315 HydrophobicContact CB-CD2 3.91Å; F293-F315 HydrophobicContact CB-CE1 3.48Å; F293-F315 VanDerWaalsContact CB-CE1 3.48Å; F293-F315 HydrophobicContact CB-CE2 3.67Å; F293-F315 HydrophobicContact CB-CG 3.9Å; F293-F315 HydrophobicContact CB-CZ 3.45Å; F293-F315 VanDerWaalsContact CB-CZ 3.45Å; F293-F315 AromaticContact CD1-CD1 3.84Å; F293-F315 HydrophobicContact CD1-CD1 3.84Å; F293-F315 AromaticContact CD1-CE1 3.92Å; F293-F315 HydrophobicContact CD1-CE1 3.92Å; F293-F315 HydrophobicContact CD2-CB 4.47Å; F293-F315 HydrophobicContact CD2-CD1 4.32Å; F293-F315 HydrophobicContact CD2-CG 4.33Å; F293-F315 AromaticContact CG-CD1 3.71Å; F293-F315 HydrophobicContact CG-CD1 3.71Å; F293-F315 AromaticContact CG-CE1 3.9Å; F293-F315 HydrophobicContact CG-CE1 3.9Å; F293-F315 HydrophobicContact CG-CG 4.06Å; F293-F315 HydrophobicContact CG-CZ 4.35Å; L310-F315 HydrophobicContact CB-CD2 4.26Å; L310-F315 HydrophobicContact CB-CE1 4.4Å; L310-F315 HydrophobicContact CB-CE2 3.47Å; L310-F315 VanDerWaalsContact CB-CE2 3.47Å; L310-F315 HydrophobicContact CB-CZ 3.56Å; L310-F315 HydrophobicContact CD1-CE1 3.64Å; L310-F315 HydrophobicContact CD1-CE2 4.2Å; L310-F315 HydrophobicContact CD1-CZ 3.36Å; L310-F315 HydrophobicContact CG-CE2 4.45Å; L310-F315 HydrophobicContact CG-CZ 4.05Å; G312-F315 PolarHBondContact O-N 3.25Å; S313-F315 PolarHBondContact O-N 2.7Å; F315-V374 HydrophobicContact CE1-CG2 4.36Å; F315-A377 HydrophobicContact CD1-CB 3.44Å; F315-A377 VanDerWaalsContact CD1-CB 3.44Å; F315-A377 HydrophobicContact CE1-CB 3.58Å; F315-A377 HydrophobicContact CG-CB 4.25Å |
| 316 | R | 91.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -94.3 | 1.8 | -176.7 | -63.5 | -169.8 | -59.9 | -83.5 | -7.1 | 113.6 | E264 M289 G312 S313 G318 L319 | E264-R316 HydrophobicContact CB-CB 4.34Å; E264-R316 VanDerWaalsContact CD-NE 3.29Å; E264-R316 HydrophobicContact CG-CB 4.03Å; E264-R316 WeakPolarHBondContact OE1-CD 3.28Å; E264-R316 IonicContact OE1-NE 3.07Å; E264-R316 PolarHBondContact OE1-NE 2.84Å; E264-R316 VanDerWaalsContact OE1-NE 3.1Å; E264-R316 IonicContact OE2-CZ 2.66Å; E264-R316 IonicContact OE2-NE 3.38Å; E264-R316 PolarHBondContact OE2-NE 2.82Å; E264-R316 IonicContact OE2-NH2 3.5Å; M289-R316 HydrophobicContact CE-CG 4.44Å; M289-R316 HydrophobicContact SD-CG 4.41Å; G312-R316 VanDerWaalsContact C-CZ 3.46Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.38Å; G312-R316 PolarHBondContact O-N 2.94Å; G312-R316 VanDerWaalsContact O-N 3.17Å; G312-R316 PolarHBondContact O-NH1 3.31Å; S313-R316 PolarHBondContact O-N 3.24Å; R316-G318 PolarHBondContact O-N 2.91Å; R316-L319 HydrophobicContact CB-CB 4.3Å; R316-L319 HydrophobicContact CB-CD2 4.08Å; R316-L319 HydrophobicContact CG-CD2 3.79Å; R316-L319 WeakPolarHBondContact O-CB 3.26Å; R316-L319 PolarHBondContact O-N 3.11Å; R316-L319 VanDerWaalsContact O-N 3.07Å |
| 317 | E | 82.9 | Confident | 90 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 19% | 0.192 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 117.9 | 171.5 | -169.1 | -165.9 | 105.2 | 0 | 0 | 110.9 | Y262 S313 L319 K376 A380 | Y262-E317 HydrophobicContact CD1-CG 4.23Å; Y262-E317 WeakPolarHBondContact CD1-OE1 3.22Å; Y262-E317 WeakPolarHBondContact O-CG 3.3Å; S313-E317 PolarHBondContact O-N 3.04Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-K376 PolarHBondContact O-NZ 2.86Å; E317-K376 IonicContact OE1-NZ 2.79Å; E317-K376 PolarHBondContact OE1-NZ 3.36Å; E317-A380 WeakPolarHBondContact OE2-CB 3.12Å |
| 318 | G | 87.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 15 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y258 N259 G261 S263 R316 | Y258-G318 CarbonylContact C-O 3.57Å; Y258-G318 WeakPolarHBondContact CA-O 3.43Å; N259-G318 PolarHBondContact N-O 2.94Å; N259-G318 PolarHBondContact ND2-O 3.21Å; N259-G318 PolarHBondContact OD1-O 2.67Å; G261-G318 WeakPolarHBondContact O-CA 3.41Å; G261-G318 PolarHBondContact O-N 3.32Å; S263-G318 VanDerWaalsContact O-CA 3.24Å; S263-G318 WeakPolarHBondContact O-CA 3.49Å; S263-G318 PolarHBondContact O-N 3.19Å; R316-G318 PolarHBondContact O-N 2.91Å |
| 319 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.2 | 177.8 | -179 | 72.6 | 0 | 0 | 0 | 110.3 | Y256 Y258 N265 M289 R316 E317 A321 | Y256-L319 HydrophobicContact CD2-CD1 3.66Å; Y256-L319 HydrophobicContact CG-CD1 4.06Å; Y258-L319 HydrophobicContact CD1-CB 4.5Å; Y258-L319 HydrophobicContact CD2-CD1 4.22Å; Y258-L319 HydrophobicContact CE1-CB 4.14Å; Y258-L319 HydrophobicContact CE1-CD1 4.16Å; Y258-L319 HydrophobicContact CE2-CD1 3.81Å; N265-L319 PolarHBondContact N-O 2.88Å; M289-L319 HydrophobicContact CE-CD1 3.92Å; M289-L319 HydrophobicContact CE-CD2 3.73Å; M289-L319 HydrophobicContact CE-CG 4.45Å; M289-L319 HydrophobicContact SD-CD2 4.02Å; R316-L319 HydrophobicContact CB-CB 4.3Å; R316-L319 HydrophobicContact CB-CD2 4.08Å; R316-L319 HydrophobicContact CG-CD2 3.79Å; R316-L319 WeakPolarHBondContact O-CB 3.26Å; R316-L319 PolarHBondContact O-N 3.11Å; R316-L319 VanDerWaalsContact O-N 3.07Å; E317-L319 VanDerWaalsContact C-N 3.31Å; L319-A321 HydrophobicContact CD1-CB 4.45Å; L319-A321 HydrophobicContact CD2-CB 4.16Å; L319-A321 HydrophobicContact CG-CB 4.06Å |
| 320 | S | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.5 | 160.1 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | N231 Y256 Q257 N259 N265 | N231-S320 WeakPolarHBondContact OD1-CB 3.34Å; N231-S320 PolarHBondContact OD1-OG 3.03Å; Y256-S320 CarbonylContact C-O 3.44Å; Y256-S320 VanDerWaalsContact CA-O 3.24Å; Y256-S320 WeakPolarHBondContact CA-O 3.26Å; Q257-S320 PolarHBondContact N-O 3.12Å; Q257-S320 PolarHBondContact O-N 3.16Å; N259-S320 PolarHBondContact ND2-OG 3.19Å; N265-S320 CarbonylContact O-C 3.55Å; N265-S320 VanDerWaalsContact O-CA 3.31Å; N265-S320 WeakPolarHBondContact O-CA 3.45Å |
| 321 | A | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F254 S255 N265 L266 L267 L319 | F254-A321 HydrophobicContact CE2-CB 3.79Å; F254-A321 HydrophobicContact CZ-CB 4.07Å; S255-A321 CarbonylContact O-C 3.56Å; S255-A321 VanDerWaalsContact O-CA 3.28Å; S255-A321 WeakPolarHBondContact O-CA 3.46Å; N265-A321 PolarHBondContact O-N 3.36Å; L266-A321 WeakPolarHBondContact CA-O 3.33Å; L266-A321 HydrophobicContact CD1-CB 3.95Å; L267-A321 PolarHBondContact N-O 2.83Å; L319-A321 HydrophobicContact CD1-CB 4.45Å; L319-A321 HydrophobicContact CD2-CB 4.16Å; L319-A321 HydrophobicContact CG-CB 4.06Å |
| 322 | V | 95 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.8 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | I223 F226 V227 L230 F254 S255 L267 F269 | I223-V322 HydrophobicContact CB-CB 4.37Å; I223-V322 HydrophobicContact CB-CG1 4Å; I223-V322 HydrophobicContact CG2-CG1 3.9Å; F226-V322 HydrophobicContact CB-CG2 4.21Å; F226-V322 HydrophobicContact CD1-CG1 4.03Å; F226-V322 HydrophobicContact CD1-CG2 3.92Å; F226-V322 HydrophobicContact CE1-CG2 4.47Å; F226-V322 HydrophobicContact CG-CG2 4.02Å; V227-V322 HydrophobicContact CG2-CB 4.13Å; V227-V322 HydrophobicContact CG2-CG2 3.79Å; L230-V322 HydrophobicContact CD1-CG2 3.75Å; F254-V322 WeakPolarHBondContact CA-O 3.3Å; S255-V322 PolarHBondContact N-O 3.43Å; S255-V322 PolarHBondContact O-N 3.49Å; L267-V322 HydrophobicContact CB-CG2 4.4Å; L267-V322 CarbonylContact O-C 3.22Å; L267-V322 WeakPolarHBondContact O-CA 3.09Å; F269-V322 HydrophobicContact CD2-CG1 4.12Å; F269-V322 HydrophobicContact CE2-CG1 4.02Å |
| 323 | L | 96.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.7 | 175.9 | 176.3 | 64.4 | 0 | 0 | 0 | 109.1 | V252 F254 L267 S268 F269 H281 E282 M285 V325 V351 I355 | V252-L323 HydrophobicContact CG1-CD1 4.11Å; F254-L323 HydrophobicContact CB-CD1 4.16Å; F254-L323 HydrophobicContact CD2-CB 4.05Å; F254-L323 HydrophobicContact CD2-CD1 4.04Å; F254-L323 HydrophobicContact CG-CD1 4.48Å; L267-L323 PolarHBondContact O-N 2.89Å; S268-L323 CarbonylContact C-O 3.59Å; S268-L323 VanDerWaalsContact CA-O 3.26Å; S268-L323 WeakPolarHBondContact CA-O 3.48Å; F269-L323 PolarHBondContact N-O 2.91Å; H281-L323 HydrophobicContact CB-CD2 4.18Å; E282-L323 HydrophobicContact CG-CD2 4.39Å; M285-L323 HydrophobicContact CB-CD2 4.08Å; L323-V325 HydrophobicContact CD1-CG1 4.2Å; L323-V325 HydrophobicContact CG-CG1 4.38Å; L323-V351 HydrophobicContact CD1-CG1 4.21Å; L323-V351 HydrophobicContact CD2-CG1 4.43Å; L323-I355 HydrophobicContact CD1-CD1 4.3Å |
| 324 | S | 94.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.3 | 174 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | E253 | E253-S324 PolarHBondContact N-O 2.87Å; E253-S324 PolarHBondContact O-N 2.78Å; E253-S324 VanDerWaalsContact O-O 3.08Å |
| 325 | V | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.6 | 174.8 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | I250 E251 V252 F269 V270 N271 H281 L323 I327 V351 | I250-V325 HydrophobicContact CG2-CB 4.43Å; E251-V325 CarbonylContact O-C 3.49Å; E251-V325 WeakPolarHBondContact O-CA 3.28Å; V252-V325 HydrophobicContact CG1-CG1 4.3Å; V252-V325 HydrophobicContact CG2-CG1 4.18Å; F269-V325 WeakPolarHBondContact O-CG2 3.38Å; F269-V325 PolarHBondContact O-N 3.43Å; V270-V325 CarbonylContact C-O 3.58Å; V270-V325 WeakPolarHBondContact CA-O 3.27Å; V270-V325 HydrophobicContact CB-CG2 4.18Å; V270-V325 HydrophobicContact CG1-CG2 4.2Å; V270-V325 HydrophobicContact CG2-CG2 3.67Å; N271-V325 PolarHBondContact N-O 2.89Å; H281-V325 HydrophobicContact CB-CG1 4.19Å; H281-V325 HydrophobicContact CB-CG2 4.19Å; L323-V325 HydrophobicContact CD1-CG1 4.2Å; L323-V325 HydrophobicContact CG-CG1 4.38Å; V325-I327 HydrophobicContact CG2-CD1 4.06Å; V325-I327 HydrophobicContact CG2-CG1 4.22Å; V325-V351 HydrophobicContact CG1-CG2 3.74Å |
| 326 | R | 90.5 | Very high | 87.5 | Confident | 50 Ų | 50 | 35 Ų | 35 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.5 | 172.8 | -56.8 | 178.1 | 177.9 | -170.8 | -2 | 109.1 | T109 I250 E251 N271 | T109-R326 HydrophobicContact CG2-CB 4.21Å; I250-R326 WeakPolarHBondContact CA-O 3.36Å; E251-R326 HydrophobicContact CB-CB 4.11Å; E251-R326 PolarHBondContact N-O 2.78Å; E251-R326 PolarHBondContact O-N 2.75Å; E251-R326 WeakPolarHBondContact OE2-CD 3.14Å; E251-R326 IonicContact OE2-NH1 3.94Å; N271-R326 VanDerWaalsContact OD1-CA 3.24Å; N271-R326 WeakPolarHBondContact OD1-CA 3.36Å |
| 327 | I | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -114 | 126.8 | -173.1 | -59.3 | 177.8 | 0 | 0 | 0 | 108.6 | I250 V270 N271 V325 L331 L332 L342 T344 A347 | I250-I327 HydrophobicContact CD1-CG1 4.37Å; I250-I327 HydrophobicContact CG1-CG1 4.28Å; I250-I327 HydrophobicContact CG1-CG2 4.42Å; I250-I327 HydrophobicContact CG2-CG1 3.95Å; V270-I327 HydrophobicContact CG1-CD1 3.87Å; V270-I327 HydrophobicContact CG1-CG1 4.27Å; N271-I327 PolarHBondContact ND2-O 3.35Å; N271-I327 VanDerWaalsContact ND2-O 3.16Å; N271-I327 PolarHBondContact OD1-N 3.1Å; V325-I327 HydrophobicContact CG2-CD1 4.06Å; V325-I327 HydrophobicContact CG2-CG1 4.22Å; I327-L331 HydrophobicContact CG2-CB 3.85Å; I327-L332 HydrophobicContact CB-CD1 4.17Å; I327-L332 HydrophobicContact CD1-CD1 4.42Å; I327-L332 HydrophobicContact CG2-CB 4.09Å; I327-L332 HydrophobicContact CG2-CD1 4.31Å; I327-L342 HydrophobicContact CD1-CD1 3.93Å; I327-L342 HydrophobicContact CD1-CD2 3.62Å; I327-L342 HydrophobicContact CD1-CG 4.4Å; I327-T344 HydrophobicContact CD1-CG2 4.43Å; I327-T344 HydrophobicContact CG2-CG2 4.3Å; I327-A347 HydrophobicContact CD1-CB 3.89Å | ||
| 328 | P | 85.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | trans | -56.4 | 143.2 | 172.5 | -26.4 | 35.3 | 0 | 0 | 0 | 111.9 | G249 N330 L331 L332 | G249-P328 WeakPolarHBondContact O-CD 3.38Å; G249-P328 WeakPolarHBondContact O-CG 3.42Å; P328-N330 WeakPolarHBondContact CB-OD1 3.49Å; P328-N330 PolarHBondContact O-N 3.22Å; P328-N330 VanDerWaalsContact O-N 3.15Å; P328-L331 PolarHBondContact O-N 2.82Å; P328-L332 PolarHBondContact O-N 2.8Å; P328-L332 VanDerWaalsContact O-N 3.08Å | ||
| 329 | E | 75.5 | Confident | 84.9 | Confident | 78 Ų | 78 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -36.7 | -175 | -174.5 | 174.8 | -176.9 | 0 | 0 | 113.3 | L113 L331 L332 | L113-E329 HydrophobicContact CD2-CG 4.2Å; E329-L331 PolarHBondContact O-N 2.85Å; E329-L331 VanDerWaalsContact O-N 3.14Å; E329-L332 PolarHBondContact O-N 2.72Å |
| 330 | N | 79.6 | Confident | 84.2 | Confident | 130 Ų | 130 | 46.3 Ų | 46.3 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14 | 178.6 | 65.9 | -67 | 0 | 0 | 0 | 114.2 | P328 | P328-N330 WeakPolarHBondContact CB-OD1 3.49Å; P328-N330 PolarHBondContact O-N 3.22Å; P328-N330 VanDerWaalsContact O-N 3.15Å |
| 331 | L | 85.5 | Confident | 84.1 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -23 | 176.6 | -60.6 | 179.8 | 0 | 0 | 0 | 112.6 | I250 I327 P328 E329 Q333 T344 | I250-L331 HydrophobicContact CG1-CD1 4.37Å; I327-L331 HydrophobicContact CG2-CB 3.85Å; P328-L331 PolarHBondContact O-N 2.82Å; E329-L331 PolarHBondContact O-N 2.85Å; E329-L331 VanDerWaalsContact O-N 3.14Å; L331-Q333 PolarHBondContact O-N 3.41Å; L331-T344 HydrophobicContact CB-CG2 4.37Å; L331-T344 WeakPolarHBondContact O-CG2 3.37Å; L331-T344 PolarHBondContact O-OG1 3.02Å |
| 332 | L | 86.2 | Confident | 84 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | trans | -67.7 | 117.3 | -169.6 | -177.5 | 61 | 0 | 0 | 0 | 112.3 | L113 V270 I327 P328 E329 F334 L342 | L113-L332 HydrophobicContact CD1-CD2 4.16Å; L113-L332 HydrophobicContact CD1-CG 4.47Å; L113-L332 HydrophobicContact CD2-CD2 4.15Å; L113-L332 HydrophobicContact CG-CD2 4.31Å; V270-L332 HydrophobicContact CG1-CD1 3.69Å; I327-L332 HydrophobicContact CB-CD1 4.17Å; I327-L332 HydrophobicContact CD1-CD1 4.42Å; I327-L332 HydrophobicContact CG2-CB 4.09Å; I327-L332 HydrophobicContact CG2-CD1 4.31Å; P328-L332 PolarHBondContact O-N 2.8Å; P328-L332 VanDerWaalsContact O-N 3.08Å; E329-L332 PolarHBondContact O-N 2.72Å; L332-F334 HydrophobicContact CD1-CD2 4.25Å; L332-F334 HydrophobicContact CD1-CE2 3.65Å; L332-F334 HydrophobicContact CD1-CZ 4Å; L332-F334 HydrophobicContact CD2-CE2 4.01Å; L332-F334 HydrophobicContact CG-CD2 4.36Å; L332-F334 HydrophobicContact CG-CE2 3.93Å; L332-L342 HydrophobicContact CD1-CD1 4.04Å | ||
| 333 | Q | 84.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | trans | -138.1 | 119.3 | 177.9 | -65.5 | 176.5 | 3.7 | 0 | 0 | 109.9 | L331 L342 G343 T344 | L331-Q333 PolarHBondContact O-N 3.41Å; Q333-L342 WeakPolarHBondContact O-CD1 3.39Å; Q333-G343 CarbonylContact O-C 3.37Å; Q333-G343 WeakPolarHBondContact O-CA 3.34Å; Q333-G343 PolarHBondContact O-N 2.97Å; Q333-T344 PolarHBondContact N-OG1 3.11Å; Q333-T344 PolarHBondContact O-N 2.87Å; Q333-T344 VanDerWaalsContact O-N 3.14Å; Q333-T344 PolarHBondContact O-OG1 3.3Å; Q333-T344 VanDerWaalsContact O-OG1 3.11Å | ||
| 334 | F | 85.9 | Confident | 83.5 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 151.5 | 168.7 | -68.6 | -83.1 | 0 | 0 | 0 | 110.2 | L113 V270 T275 L332 G336 K339 K341 L342 | L113-F334 HydrophobicContact CD1-CD2 4.28Å; L113-F334 HydrophobicContact CD1-CE2 4.47Å; V270-F334 HydrophobicContact CB-CE1 4.17Å; V270-F334 HydrophobicContact CB-CZ 4Å; V270-F334 HydrophobicContact CG1-CE1 4.41Å; V270-F334 HydrophobicContact CG1-CZ 3.94Å; V270-F334 HydrophobicContact CG2-CE1 4.46Å; T275-F334 HydrophobicContact CG2-CE1 3.92Å; L332-F334 HydrophobicContact CD1-CD2 4.25Å; L332-F334 HydrophobicContact CD1-CE2 3.65Å; L332-F334 HydrophobicContact CD1-CZ 4Å; L332-F334 HydrophobicContact CD2-CE2 4.01Å; L332-F334 HydrophobicContact CG-CD2 4.36Å; L332-F334 HydrophobicContact CG-CE2 3.93Å; F334-G336 PolarHBondContact O-N 2.87Å; F334-K339 HydrophobicContact CD1-CB 3.85Å; F334-K339 WeakPolarHBondContact CD1-O 3.47Å; F334-K339 HydrophobicContact CD2-CB 4.16Å; F334-K339 HydrophobicContact CD2-CD 4.43Å; F334-K339 HydrophobicContact CD2-CG 3.99Å; F334-K339 HydrophobicContact CE1-CB 3.97Å; F334-K339 WeakPolarHBondContact CE1-O 3.47Å; F334-K339 HydrophobicContact CE2-CB 4.25Å; F334-K339 HydrophobicContact CE2-CD 4.22Å; F334-K339 HydrophobicContact CE2-CG 4.21Å; F334-K339 HydrophobicContact CG-CB 3.95Å; F334-K339 HydrophobicContact CG-CG 4.17Å; F334-K339 HydrophobicContact CZ-CB 4.17Å; F334-K341 WeakPolarHBondContact CA-O 3.04Å; F334-K341 WeakPolarHBondContact CD1-O 3.15Å; F334-L342 HydrophobicContact CD1-CD1 4.4Å; F334-L342 HydrophobicContact CE1-CD1 4.29Å |
| 335 | E | 82.6 | Confident | 83.3 | Confident | 123 Ų | 123 | 55.2 Ų | 55.2 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -71.8 | -17.9 | 178.3 | -68.6 | -172.3 | -171.8 | 0 | 0 | 113 | K341 | E335-K341 HydrophobicContact CB-CB 4.36Å; E335-K341 VanDerWaalsContact CD-NZ 3.28Å; E335-K341 HydrophobicContact CG-CG 4.41Å; E335-K341 PolarHBondContact N-O 2.74Å; E335-K341 VanDerWaalsContact OE1-CE 3.26Å; E335-K341 WeakPolarHBondContact OE1-CE 3.44Å; E335-K341 IonicContact OE1-NZ 3.41Å; E335-K341 PolarHBondContact OE1-NZ 3.35Å; E335-K341 VanDerWaalsContact OE2-CD 3.28Å; E335-K341 WeakPolarHBondContact OE2-CD 3.48Å; E335-K341 WeakPolarHBondContact OE2-CE 3.17Å; E335-K341 IonicContact OE2-NZ 3.67Å; E335-K341 PolarHBondContact OE2-NZ 2.98Å |
| 336 | G | 71.5 | Confident | 83.2 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -155.6 | 168.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F334 T338 K339 | F334-G336 PolarHBondContact O-N 2.87Å; G336-T338 VanDerWaalsContact C-N 3.31Å; G336-T338 PolarHBondContact O-N 2.87Å; G336-K339 PolarHBondContact O-N 3.26Å; G336-K339 VanDerWaalsContact O-N 3.12Å |
| 337 | Q | 64.4 | Low | 83.3 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.4 | -176 | -178.2 | 61.7 | 10 | 0 | 0 | 113.4 | H114 K339 | H114-Q337 PolarHBondContact CE1-NE2 2.76Å; H114-Q337 PolarHBondContact CE1-OE1 2.91Å; H114-Q337 PolarHBondContact ND1-NE2 3.28Å; Q337-K339 WeakPolarHBondContact O-CG 3.24Å; Q337-K339 PolarHBondContact O-N 3.2Å |
| 338 | T | 63 | Low | 83.5 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.9 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | G336 E340 | G336-T338 VanDerWaalsContact C-N 3.31Å; G336-T338 PolarHBondContact O-N 2.87Å; T338-E340 WeakPolarHBondContact CB-OE2 3.35Å; T338-E340 PolarHBondContact O-N 3.32Å; T338-E340 VanDerWaalsContact O-N 3.11Å; T338-E340 PolarHBondContact OG1-OE2 3.05Å |
| 339 | K | 77.6 | Confident | 83.9 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | trans | 56.8 | 21.8 | 178.8 | -50.6 | 175.8 | -165.6 | 165.1 | 0 | 114.2 | G111 V273 F334 G336 Q337 K341 | G111-K339 PolarHBondContact O-NZ 3.06Å; V273-K339 HydrophobicContact CG1-CB 3.98Å; V273-K339 HydrophobicContact CG1-CD 4.3Å; F334-K339 HydrophobicContact CD1-CB 3.85Å; F334-K339 WeakPolarHBondContact CD1-O 3.47Å; F334-K339 HydrophobicContact CD2-CB 4.16Å; F334-K339 HydrophobicContact CD2-CD 4.43Å; F334-K339 HydrophobicContact CD2-CG 3.99Å; F334-K339 HydrophobicContact CE1-CB 3.97Å; F334-K339 WeakPolarHBondContact CE1-O 3.47Å; F334-K339 HydrophobicContact CE2-CB 4.25Å; F334-K339 HydrophobicContact CE2-CD 4.22Å; F334-K339 HydrophobicContact CE2-CG 4.21Å; F334-K339 HydrophobicContact CG-CB 3.95Å; F334-K339 HydrophobicContact CG-CG 4.17Å; F334-K339 HydrophobicContact CZ-CB 4.17Å; G336-K339 PolarHBondContact O-N 3.26Å; G336-K339 VanDerWaalsContact O-N 3.12Å; Q337-K339 WeakPolarHBondContact O-CG 3.24Å; Q337-K339 PolarHBondContact O-N 3.2Å; K339-K341 VanDerWaalsContact C-N 3.25Å; K339-K341 PolarHBondContact O-N 2.58Å | ||
| 340 | E | 79.7 | Confident | 84.8 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | trans | -72.2 | -19.7 | -177.8 | -73.2 | 165.1 | 148.5 | 0 | 0 | 112.8 | T275 K276 D277 T338 | T275-E340 CarbonylContact C-O 3.52Å; T275-E340 WeakPolarHBondContact CA-O 3.42Å; T275-E340 WeakPolarHBondContact CB-O 3.05Å; K276-E340 PolarHBondContact N-O 3.41Å; K276-E340 VanDerWaalsContact N-O 3.13Å; D277-E340 HydrophobicContact CB-CB 4.46Å; D277-E340 PolarHBondContact N-O 3.48Å; T338-E340 WeakPolarHBondContact CB-OE2 3.35Å; T338-E340 PolarHBondContact O-N 3.32Å; T338-E340 VanDerWaalsContact O-N 3.11Å; T338-E340 PolarHBondContact OG1-OE2 3.05Å | ||
| 341 | K | 89.6 | Confident | 85.6 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -136.9 | 128.8 | -177.5 | -163.3 | 166.8 | 166.3 | -146.2 | 0 | 114.4 | D277 G278 F334 E335 K339 | D277-K341 HydrophobicContact CB-CB 3.91Å; D277-K341 HydrophobicContact CB-CD 4.09Å; D277-K341 HydrophobicContact CB-CG 4.21Å; G278-K341 VanDerWaalsContact O-CA 3.3Å; G278-K341 WeakPolarHBondContact O-CA 3.25Å; G278-K341 WeakPolarHBondContact O-CG 3.42Å; F334-K341 WeakPolarHBondContact CA-O 3.04Å; F334-K341 WeakPolarHBondContact CD1-O 3.15Å; E335-K341 HydrophobicContact CB-CB 4.36Å; E335-K341 VanDerWaalsContact CD-NZ 3.28Å; E335-K341 HydrophobicContact CG-CG 4.41Å; E335-K341 PolarHBondContact N-O 2.74Å; E335-K341 VanDerWaalsContact OE1-CE 3.26Å; E335-K341 WeakPolarHBondContact OE1-CE 3.44Å; E335-K341 IonicContact OE1-NZ 3.41Å; E335-K341 PolarHBondContact OE1-NZ 3.35Å; E335-K341 VanDerWaalsContact OE2-CD 3.28Å; E335-K341 WeakPolarHBondContact OE2-CD 3.48Å; E335-K341 WeakPolarHBondContact OE2-CE 3.17Å; E335-K341 IonicContact OE2-NZ 3.67Å; E335-K341 PolarHBondContact OE2-NZ 2.98Å; K339-K341 VanDerWaalsContact C-N 3.25Å; K339-K341 PolarHBondContact O-N 2.58Å |
| 342 | L | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 124.7 | 177.3 | -173.6 | 68.6 | 0 | 0 | 0 | 112.1 | V270 T275 G278 G279 T280 H281 I327 L332 Q333 F334 T344 A347 | V270-L342 HydrophobicContact CG1-CD1 4.04Å; V270-L342 HydrophobicContact CG2-CB 4.18Å; V270-L342 HydrophobicContact CG2-CD1 4.1Å; V270-L342 HydrophobicContact CG2-CD2 3.93Å; V270-L342 HydrophobicContact CG2-CG 4.28Å; T275-L342 HydrophobicContact CG2-CB 4.49Å; G278-L342 PolarHBondContact O-N 3.13Å; G279-L342 VanDerWaalsContact CA-O 3.26Å; G279-L342 WeakPolarHBondContact CA-O 3.47Å; T280-L342 PolarHBondContact N-O 3.04Å; T280-L342 VanDerWaalsContact N-O 3.1Å; T280-L342 WeakPolarHBondContact OG1-CD2 3.47Å; H281-L342 HydrophobicContact CB-CD2 3.9Å; H281-L342 WeakPolarHBondContact ND1-CB 3.35Å; H281-L342 WeakPolarHBondContact ND1-CD2 3.37Å; I327-L342 HydrophobicContact CD1-CD1 3.93Å; I327-L342 HydrophobicContact CD1-CD2 3.62Å; I327-L342 HydrophobicContact CD1-CG 4.4Å; L332-L342 HydrophobicContact CD1-CD1 4.04Å; Q333-L342 WeakPolarHBondContact O-CD1 3.39Å; F334-L342 HydrophobicContact CD1-CD1 4.4Å; F334-L342 HydrophobicContact CE1-CD1 4.29Å; L342-T344 WeakPolarHBondContact CD1-OG1 3.4Å; L342-A347 HydrophobicContact CD2-CB 3.7Å |
| 343 | G | 89.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | trans | -102.9 | -0.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q333 P345 | Q333-G343 CarbonylContact O-C 3.37Å; Q333-G343 WeakPolarHBondContact O-CA 3.34Å; Q333-G343 PolarHBondContact O-N 2.97Å; G343-P345 WeakPolarHBondContact O-CD 3.39Å | ||
| 344 | T | 92.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | trans | -69.2 | 110 | -174 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | T280 I327 L331 Q333 L342 A346 A347 | T280-T344 VanDerWaalsContact CB-O 3.24Å; T280-T344 WeakPolarHBondContact CB-O 3.48Å; T280-T344 PolarHBondContact OG1-O 3.46Å; I327-T344 HydrophobicContact CD1-CG2 4.43Å; I327-T344 HydrophobicContact CG2-CG2 4.3Å; L331-T344 HydrophobicContact CB-CG2 4.37Å; L331-T344 WeakPolarHBondContact O-CG2 3.37Å; L331-T344 PolarHBondContact O-OG1 3.02Å; Q333-T344 PolarHBondContact N-OG1 3.11Å; Q333-T344 PolarHBondContact O-N 2.87Å; Q333-T344 VanDerWaalsContact O-N 3.14Å; Q333-T344 PolarHBondContact O-OG1 3.3Å; Q333-T344 VanDerWaalsContact O-OG1 3.11Å; L342-T344 WeakPolarHBondContact CD1-OG1 3.4Å; T344-A346 PolarHBondContact O-N 2.87Å; T344-A347 HydrophobicContact CG2-CB 4.29Å; T344-A347 WeakPolarHBondContact O-CB 3.17Å; T344-A347 PolarHBondContact O-N 2.87Å | ||
| 345 | P | 90.1 | Very high | 87.2 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | -172.1 | -24.4 | 36.4 | 0 | 0 | 0 | 114.1 | G343 A347 R348 | G343-P345 WeakPolarHBondContact O-CD 3.39Å; P345-A347 PolarHBondContact O-N 3.39Å; P345-R348 PolarHBondContact O-N 2.72Å |
| 346 | A | 91.3 | Very high | 87.7 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -31.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I250 T344 R348 G349 A350 | I250-A346 HydrophobicContact CD1-CB 4.12Å; T344-A346 PolarHBondContact O-N 2.87Å; A346-R348 PolarHBondContact O-N 3.13Å; A346-G349 PolarHBondContact O-N 2.86Å; A346-G349 VanDerWaalsContact O-N 3.14Å; A346-A350 PolarHBondContact O-N 2.73Å |
| 347 | A | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -32.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I250 H281 I327 L342 T344 P345 V351 | I250-A347 HydrophobicContact CD1-CB 4.14Å; H281-A347 HydrophobicContact CB-CB 4.41Å; I327-A347 HydrophobicContact CD1-CB 3.89Å; L342-A347 HydrophobicContact CD2-CB 3.7Å; T344-A347 HydrophobicContact CG2-CB 4.29Å; T344-A347 WeakPolarHBondContact O-CB 3.17Å; T344-A347 PolarHBondContact O-N 2.87Å; P345-A347 PolarHBondContact O-N 3.39Å; A347-V351 WeakPolarHBondContact O-CB 3.46Å; A347-V351 VanDerWaalsContact O-CG2 3.26Å; A347-V351 WeakPolarHBondContact O-CG2 3.46Å; A347-V351 PolarHBondContact O-N 2.93Å |
| 348 | R | 93.8 | Very high | 90 | Very high | 119 Ų | 119 | 42.4 Ų | 42.4 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.4 | -176.9 | 179.1 | 178.8 | 169.1 | 3.5 | 111.3 | T280 P345 A346 D352 | T280-R348 VanDerWaalsContact O-CA 3.29Å; T280-R348 WeakPolarHBondContact O-CA 3.41Å; T280-R348 WeakPolarHBondContact O-CB 3.41Å; P345-R348 PolarHBondContact O-N 2.72Å; A346-R348 PolarHBondContact O-N 3.13Å; R348-D352 WeakPolarHBondContact O-CB 3.11Å; R348-D352 PolarHBondContact O-N 3.48Å |
| 349 | G | 93.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.5 | -39.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A346 N353 | A346-G349 PolarHBondContact O-N 2.86Å; A346-G349 VanDerWaalsContact O-N 3.14Å; G349-N353 WeakPolarHBondContact O-CB 3.36Å; G349-N353 PolarHBondContact O-N 3.11Å; G349-N353 VanDerWaalsContact O-N 3.15Å; G349-N353 PolarHBondContact O-ND2 2.96Å |
| 350 | A | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R247 I250 A346 N353 V354 | R247-A350 HydrophobicContact CB-CB 3.89Å; I250-A350 HydrophobicContact CB-CB 3.99Å; I250-A350 HydrophobicContact CD1-CB 4.14Å; I250-A350 HydrophobicContact CG2-CB 4.16Å; A346-A350 PolarHBondContact O-N 2.73Å; A350-N353 PolarHBondContact O-N 2.96Å; A350-V354 WeakPolarHBondContact O-CG2 3.19Å; A350-V354 PolarHBondContact O-N 3.46Å; A350-V354 VanDerWaalsContact O-N 3.12Å |
| 351 | V | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 112 | V252 H281 M285 L323 V325 A347 N353 V354 I355 | V252-V351 HydrophobicContact CG1-CG2 4.06Å; V252-V351 HydrophobicContact CG2-CG2 3.83Å; H281-V351 HydrophobicContact CB-CG2 4.01Å; H281-V351 WeakPolarHBondContact O-CG1 3.4Å; M285-V351 HydrophobicContact CB-CG1 3.86Å; L323-V351 HydrophobicContact CD1-CG1 4.21Å; L323-V351 HydrophobicContact CD2-CG1 4.43Å; V325-V351 HydrophobicContact CG1-CG2 3.74Å; A347-V351 WeakPolarHBondContact O-CB 3.46Å; A347-V351 VanDerWaalsContact O-CG2 3.26Å; A347-V351 WeakPolarHBondContact O-CG2 3.46Å; A347-V351 PolarHBondContact O-N 2.93Å; V351-N353 VanDerWaalsContact C-N 3.32Å; V351-N353 PolarHBondContact O-N 2.84Å; V351-V354 PolarHBondContact O-N 3.34Å; V351-I355 HydrophobicContact CG1-CD1 3.53Å; V351-I355 HydrophobicContact CG1-CG1 4.18Å; V351-I355 WeakPolarHBondContact O-CB 3.41Å; V351-I355 PolarHBondContact O-N 3.11Å |
| 352 | D | 94.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -46 | 178.4 | -174.1 | -3 | 0 | 0 | 0 | 111.3 | S288 R348 G356 | S288-D352 WeakPolarHBondContact CB-O 3.35Å; S288-D352 VanDerWaalsContact CB-OD1 3.25Å; S288-D352 WeakPolarHBondContact CB-OD1 3.35Å; R348-D352 WeakPolarHBondContact O-CB 3.11Å; R348-D352 PolarHBondContact O-N 3.48Å; D352-G356 WeakPolarHBondContact O-CA 3.25Å; D352-G356 PolarHBondContact O-N 2.8Å |
| 353 | N | 93.5 | Very high | 92.5 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.2 | -49.4 | 179.3 | -75.7 | -55.1 | 0 | 0 | 0 | 113 | R247 G349 A350 V351 E357 | R247-N353 HydrophobicContact CG-CB 4.43Å; G349-N353 WeakPolarHBondContact O-CB 3.36Å; G349-N353 PolarHBondContact O-N 3.11Å; G349-N353 VanDerWaalsContact O-N 3.15Å; G349-N353 PolarHBondContact O-ND2 2.96Å; A350-N353 PolarHBondContact O-N 2.96Å; V351-N353 VanDerWaalsContact C-N 3.32Å; V351-N353 PolarHBondContact O-N 2.84Å; N353-E357 VanDerWaalsContact O-CB 3.27Å; N353-E357 WeakPolarHBondContact O-CB 3.16Å; N353-E357 PolarHBondContact O-N 2.75Å |
| 354 | V | 94.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -49.9 | -177.7 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R247 V252 A350 V351 Q358 | R247-V354 HydrophobicContact CG-CG2 3.73Å; V252-V354 HydrophobicContact CB-CB 4.39Å; V252-V354 HydrophobicContact CB-CG1 4.27Å; V252-V354 HydrophobicContact CB-CG2 4.37Å; V252-V354 HydrophobicContact CG1-CB 4.49Å; V252-V354 HydrophobicContact CG1-CG1 4.32Å; V252-V354 HydrophobicContact CG2-CG2 4.39Å; A350-V354 WeakPolarHBondContact O-CG2 3.19Å; A350-V354 PolarHBondContact O-N 3.46Å; A350-V354 VanDerWaalsContact O-N 3.12Å; V351-V354 PolarHBondContact O-N 3.34Å; V354-Q358 WeakPolarHBondContact O-CB 3.19Å; V354-Q358 VanDerWaalsContact O-CG 3.25Å; V354-Q358 WeakPolarHBondContact O-CG 3.45Å; V354-Q358 PolarHBondContact O-N 3.09Å |
| 355 | I | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -42.9 | -178 | -64.1 | -178.6 | 0 | 0 | 0 | 110.7 | F254 M285 S288 L323 V351 E357 Q358 M359 | F254-I355 HydrophobicContact CB-CD1 3.91Å; F254-I355 HydrophobicContact CB-CG1 4.21Å; F254-I355 HydrophobicContact CD1-CD1 3.75Å; F254-I355 HydrophobicContact CD1-CG1 4.1Å; F254-I355 HydrophobicContact CD1-CG2 4.37Å; F254-I355 HydrophobicContact CD2-CD1 4.1Å; F254-I355 HydrophobicContact CE1-CD1 4.26Å; F254-I355 HydrophobicContact CE1-CG2 4.4Å; F254-I355 HydrophobicContact CG-CD1 3.65Å; F254-I355 HydrophobicContact CG-CG1 4.25Å; M285-I355 HydrophobicContact CB-CD1 3.7Å; M285-I355 HydrophobicContact CG-CD1 3.45Å; M285-I355 VanDerWaalsContact CG-CD1 3.45Å; S288-I355 WeakPolarHBondContact OG-CG2 3.46Å; L323-I355 HydrophobicContact CD1-CD1 4.3Å; V351-I355 HydrophobicContact CG1-CD1 3.53Å; V351-I355 HydrophobicContact CG1-CG1 4.18Å; V351-I355 WeakPolarHBondContact O-CB 3.41Å; V351-I355 PolarHBondContact O-N 3.11Å; I355-E357 PolarHBondContact O-N 2.93Å; I355-Q358 PolarHBondContact O-N 2.9Å; I355-M359 HydrophobicContact CG2-CB 4.5Å; I355-M359 HydrophobicContact CG2-CE 4.4Å; I355-M359 WeakPolarHBondContact O-CA 3.47Å; I355-M359 WeakPolarHBondContact O-CB 3.33Å; I355-M359 PolarHBondContact O-N 3.44Å |
| 356 | G | 91.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 48 Ų | 48 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D352 G360 | D352-G356 WeakPolarHBondContact O-CA 3.25Å; D352-G356 PolarHBondContact O-N 2.8Å; G356-G360 PolarHBondContact O-N 2.88Å; G356-G360 VanDerWaalsContact O-N 3.17Å |
| 357 | E | 90.4 | Very high | 92 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -54.9 | 176.8 | -176.2 | 174.4 | -178.5 | 0 | 0 | 111.2 | R247 N353 I355 G360 F361 | R247-E357 IonicContact NH2-OE2 3.61Å; R247-E357 PolarHBondContact NH2-OE2 3Å; N353-E357 VanDerWaalsContact O-CB 3.27Å; N353-E357 WeakPolarHBondContact O-CB 3.16Å; N353-E357 PolarHBondContact O-N 2.75Å; I355-E357 PolarHBondContact O-N 2.93Å; E357-G360 PolarHBondContact O-N 2.84Å; E357-F361 HydrophobicContact CG-CD2 4.23Å; E357-F361 HydrophobicContact CG-CE2 3.68Å; E357-F361 WeakPolarHBondContact O-CD2 3.23Å; E357-F361 PolarHBondContact O-N 2.92Å |
| 358 | Q | 94.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | -176.5 | -66.8 | -69.9 | -39 | 0 | 0 | 112.8 | F243 V354 I355 G360 F361 Y362 | F243-Q358 HydrophobicContact CB-CB 4.03Å; F243-Q358 HydrophobicContact CB-CG 4.23Å; F243-Q358 HydrophobicContact CD1-CB 3.59Å; F243-Q358 HydrophobicContact CD1-CG 4.35Å; F243-Q358 HydrophobicContact CD2-CB 3.84Å; F243-Q358 HydrophobicContact CE1-CB 3.98Å; F243-Q358 HydrophobicContact CE2-CB 4.19Å; F243-Q358 HydrophobicContact CG-CB 3.55Å; F243-Q358 HydrophobicContact CG-CG 4.26Å; F243-Q358 HydrophobicContact CZ-CB 4.27Å; V354-Q358 WeakPolarHBondContact O-CB 3.19Å; V354-Q358 VanDerWaalsContact O-CG 3.25Å; V354-Q358 WeakPolarHBondContact O-CG 3.45Å; V354-Q358 PolarHBondContact O-N 3.09Å; I355-Q358 PolarHBondContact O-N 2.9Å; Q358-G360 VanDerWaalsContact C-N 3.32Å; Q358-G360 PolarHBondContact O-N 2.93Å; Q358-F361 PolarHBondContact O-N 2.52Å; Q358-Y362 WeakPolarHBondContact O-CB 3.37Å; Q358-Y362 PolarHBondContact O-N 3.06Å |
| 359 | M | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.4 | -172 | 68.7 | 76.5 | 0 | 0 | 111.1 | F243 F254 Y256 M289 A292 F293 I355 F361 Y362 L363 | F243-M359 HydrophobicContact CE2-CB 4.01Å; F243-M359 HydrophobicContact CE2-CE 3.78Å; F243-M359 HydrophobicContact CE2-SD 4.02Å; F243-M359 HydrophobicContact CZ-CB 4.48Å; F243-M359 HydrophobicContact CZ-SD 4.25Å; F254-M359 HydrophobicContact CE1-CE 4.34Å; Y256-M359 HydrophobicContact CD1-CE 4.42Å; Y256-M359 HydrophobicContact CE1-CE 3.62Å; Y256-M359 HydrophobicContact CE1-SD 4.29Å; Y256-M359 PolarHBondContact OH-SD 3.18Å; M289-M359 HydrophobicContact CG-CE 4.05Å; M289-M359 HydrophobicContact SD-CE 4.42Å; A292-M359 HydrophobicContact CB-CB 3.98Å; A292-M359 HydrophobicContact CB-CG 3.61Å; F293-M359 HydrophobicContact CE2-CE 4.39Å; F293-M359 HydrophobicContact CE2-SD 4.11Å; I355-M359 HydrophobicContact CG2-CB 4.5Å; I355-M359 HydrophobicContact CG2-CE 4.4Å; I355-M359 WeakPolarHBondContact O-CA 3.47Å; I355-M359 WeakPolarHBondContact O-CB 3.33Å; I355-M359 PolarHBondContact O-N 3.44Å; M359-F361 VanDerWaalsContact C-N 3.3Å; M359-F361 PolarHBondContact O-N 3.46Å; M359-Y362 PolarHBondContact O-N 3.39Å; M359-L363 HydrophobicContact CG-CD1 3.91Å; M359-L363 HydrophobicContact CG-CG 4.17Å; M359-L363 WeakPolarHBondContact O-CB 3.46Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.48Å; M359-L363 PolarHBondContact O-N 3.34Å; M359-L363 HydrophobicContact SD-CD1 4.43Å; M359-L363 HydrophobicContact SD-CD2 4.49Å; M359-L363 HydrophobicContact SD-CG 4.23Å |
| 360 | G | 88.9 | Confident | 91.5 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G356 E357 Q358 Q364 | G356-G360 PolarHBondContact O-N 2.88Å; G356-G360 VanDerWaalsContact O-N 3.17Å; E357-G360 PolarHBondContact O-N 2.84Å; Q358-G360 VanDerWaalsContact C-N 3.32Å; Q358-G360 PolarHBondContact O-N 2.93Å; G360-Q364 WeakPolarHBondContact O-CG 3.43Å; G360-Q364 PolarHBondContact O-NE2 3.38Å |
| 361 | F | 90.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.4 | -50.9 | 174 | -68.7 | -60.9 | 0 | 0 | 0 | 111.9 | E357 Q358 M359 L363 Q364 E365 | E357-F361 HydrophobicContact CG-CD2 4.23Å; E357-F361 HydrophobicContact CG-CE2 3.68Å; E357-F361 WeakPolarHBondContact O-CD2 3.23Å; E357-F361 PolarHBondContact O-N 2.92Å; Q358-F361 PolarHBondContact O-N 2.52Å; M359-F361 VanDerWaalsContact C-N 3.3Å; M359-F361 PolarHBondContact O-N 3.46Å; F361-L363 VanDerWaalsContact C-N 3.3Å; F361-L363 PolarHBondContact O-N 2.75Å; F361-Q364 PolarHBondContact O-N 3.08Å; F361-Q364 VanDerWaalsContact O-N 3.07Å; F361-E365 PolarHBondContact O-N 3.2Å |
| 362 | Y | 91.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.5 | -44.3 | -179.2 | 177.1 | -94.6 | 0 | 0 | 0 | 112.3 | V241 F243 Y256 Q358 M359 Q364 E365 N366 | V241-Y362 HydrophobicContact CB-CE2 4.36Å; V241-Y362 HydrophobicContact CG1-CD1 4.46Å; V241-Y362 HydrophobicContact CG1-CD2 3.79Å; V241-Y362 HydrophobicContact CG1-CE2 3.85Å; V241-Y362 HydrophobicContact CG1-CG 4.13Å; V241-Y362 HydrophobicContact CG2-CD2 4.34Å; V241-Y362 HydrophobicContact CG2-CE1 3.85Å; V241-Y362 HydrophobicContact CG2-CE2 3.57Å; V241-Y362 VanDerWaalsContact CG2-OH 3.26Å; V241-Y362 WeakPolarHBondContact CG2-OH 3.39Å; F243-Y362 HydrophobicContact CE1-CG 4.35Å; F243-Y362 HydrophobicContact CZ-CG 4.09Å; Y256-Y362 WeakPolarHBondContact OH-CD1 3.42Å; Y256-Y362 WeakPolarHBondContact OH-CE1 3.36Å; Q358-Y362 WeakPolarHBondContact O-CB 3.37Å; Q358-Y362 PolarHBondContact O-N 3.06Å; M359-Y362 PolarHBondContact O-N 3.39Å; Y362-Q364 VanDerWaalsContact C-N 3.28Å; Y362-Q364 PolarHBondContact O-N 2.9Å; Y362-E365 PolarHBondContact O-N 2.88Å; Y362-N366 WeakPolarHBondContact CD2-ND2 3.5Å; Y362-N366 HydrophobicContact CE1-CB 4.27Å; Y362-N366 HydrophobicContact CE2-CB 4.25Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.3Å; Y362-N366 WeakPolarHBondContact O-CB 3.48Å; Y362-N366 PolarHBondContact O-N 3.43Å; Y362-N366 PolarHBondContact O-ND2 3.25Å; Y362-N366 VanDerWaalsContact O-ND2 3.08Å |
| 363 | L | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -33.5 | -178.9 | -70.2 | 175.6 | 0 | 0 | 0 | 112.6 | A292 F293 Y296 M359 F361 S370 | A292-L363 HydrophobicContact CB-CD1 4.27Å; F293-L363 HydrophobicContact CD1-CD1 4.05Å; F293-L363 HydrophobicContact CD1-CD2 3.94Å; F293-L363 HydrophobicContact CD2-CD1 4.44Å; F293-L363 HydrophobicContact CE1-CD1 4.34Å; F293-L363 HydrophobicContact CE1-CD2 3.46Å; F293-L363 VanDerWaalsContact CE1-CD2 3.46Å; F293-L363 HydrophobicContact CE2-CD2 4.49Å; F293-L363 HydrophobicContact CG-CD1 4.11Å; F293-L363 HydrophobicContact CZ-CD2 3.78Å; Y296-L363 HydrophobicContact CD2-CB 3.8Å; Y296-L363 HydrophobicContact CE2-CB 4.36Å; Y296-L363 WeakPolarHBondContact CE2-O 3.43Å; Y296-L363 HydrophobicContact CG-CB 3.93Å; Y296-L363 HydrophobicContact CG-CD1 4.33Å; M359-L363 HydrophobicContact CG-CD1 3.91Å; M359-L363 HydrophobicContact CG-CG 4.17Å; M359-L363 WeakPolarHBondContact O-CB 3.46Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.48Å; M359-L363 PolarHBondContact O-N 3.34Å; M359-L363 HydrophobicContact SD-CD1 4.43Å; M359-L363 HydrophobicContact SD-CD2 4.49Å; M359-L363 HydrophobicContact SD-CG 4.23Å; F361-L363 VanDerWaalsContact C-N 3.3Å; F361-L363 PolarHBondContact O-N 2.75Å; L363-S370 VanDerWaalsContact CA-OG 3.25Å; L363-S370 WeakPolarHBondContact CA-OG 3.46Å; L363-S370 WeakPolarHBondContact CD2-OG 3.33Å; L363-S370 WeakPolarHBondContact O-CB 3.19Å; L363-S370 PolarHBondContact O-OG 3.23Å |
| 364 | Q | 89 | Confident | 91 | Very high | 113 Ų | 113 | 51.4 Ų | 51.4 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.3 | -43.9 | 176.9 | -71 | 177.4 | 30.9 | 0 | 0 | 112 | G360 F361 Y362 | G360-Q364 WeakPolarHBondContact O-CG 3.43Å; G360-Q364 PolarHBondContact O-NE2 3.38Å; F361-Q364 PolarHBondContact O-N 3.08Å; F361-Q364 VanDerWaalsContact O-N 3.07Å; Y362-Q364 VanDerWaalsContact C-N 3.28Å; Y362-Q364 PolarHBondContact O-N 2.9Å |
| 365 | E | 88.8 | Confident | 90.8 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.7 | -35.5 | 180 | -69.3 | -173.9 | 160 | 0 | 0 | 112.2 | F361 Y362 S367 | F361-E365 PolarHBondContact O-N 3.2Å; Y362-E365 PolarHBondContact O-N 2.88Å; E365-S367 PolarHBondContact O-N 3.45Å |
| 366 | N | 90 | Very high | 90.6 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 48.6 | -174.8 | -63.8 | -85.6 | 0 | 0 | 0 | 112.2 | Y362 E368 N369 S370 | Y362-N366 WeakPolarHBondContact CD2-ND2 3.5Å; Y362-N366 HydrophobicContact CE1-CB 4.27Å; Y362-N366 HydrophobicContact CE2-CB 4.25Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.3Å; Y362-N366 WeakPolarHBondContact O-CB 3.48Å; Y362-N366 PolarHBondContact O-N 3.43Å; Y362-N366 PolarHBondContact O-ND2 3.25Å; Y362-N366 VanDerWaalsContact O-ND2 3.08Å; N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 PolarHBondContact O-N 3.02Å; N366-E368 VanDerWaalsContact O-N 3.14Å; N366-N369 PolarHBondContact O-N 2.93Å; N366-S370 WeakPolarHBondContact O-CB 3.48Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.11Å |
| 367 | S | 84.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.1 | -37.4 | -168.8 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | Y296 E365 Q371 | Y296-S367 WeakPolarHBondContact OH-CA 3.43Å; Y296-S367 PolarHBondContact OH-O 3Å; E365-S367 PolarHBondContact O-N 3.45Å; S367-Q371 WeakPolarHBondContact O-CB 3.44Å; S367-Q371 WeakPolarHBondContact O-CG 3.35Å; S367-Q371 PolarHBondContact O-N 3.43Å |
| 368 | E | 87.9 | Confident | 90.5 | Very high | 159 Ų | 159 | 54.9 Ų | 54.9 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -53.7 | 178.1 | -176.1 | 174.8 | -173.6 | 0 | 0 | 111.9 | N366 S370 Q371 M372 | N366-E368 VanDerWaalsContact C-N 3.3Å; N366-E368 PolarHBondContact O-N 3.02Å; N366-E368 VanDerWaalsContact O-N 3.14Å; E368-S370 VanDerWaalsContact C-N 3.34Å; E368-S370 PolarHBondContact O-N 3Å; E368-Q371 PolarHBondContact O-N 3.29Å; E368-M372 WeakPolarHBondContact O-CB 3.19Å; E368-M372 PolarHBondContact O-N 2.97Å |
| 369 | N | 88.7 | Confident | 89.9 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.4 | -70.6 | -18.6 | 0 | 0 | 0 | 110.8 | T238 N366 Q371 M372 L373 | T238-N369 HydrophobicContact CG2-CB 4.36Å; N366-N369 PolarHBondContact O-N 2.93Å; N369-Q371 PolarHBondContact O-N 3.49Å; N369-M372 WeakPolarHBondContact O-CB 3.36Å; N369-M372 PolarHBondContact O-N 2.91Å; N369-L373 VanDerWaalsContact O-CG 3.31Å; N369-L373 WeakPolarHBondContact O-CG 3.31Å; N369-L373 PolarHBondContact O-N 2.71Å |
| 370 | S | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 179 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | Y296 L363 N366 E368 M372 L373 V374 | Y296-S370 VanDerWaalsContact CZ-CB 3.41Å; L363-S370 VanDerWaalsContact CA-OG 3.25Å; L363-S370 WeakPolarHBondContact CA-OG 3.46Å; L363-S370 WeakPolarHBondContact CD2-OG 3.33Å; L363-S370 WeakPolarHBondContact O-CB 3.19Å; L363-S370 PolarHBondContact O-OG 3.23Å; N366-S370 WeakPolarHBondContact O-CB 3.48Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.11Å; E368-S370 VanDerWaalsContact C-N 3.34Å; E368-S370 PolarHBondContact O-N 3Å; S370-M372 VanDerWaalsContact C-N 3.35Å; S370-L373 PolarHBondContact O-N 3.48Å; S370-V374 WeakPolarHBondContact O-CG2 3.47Å; S370-V374 PolarHBondContact O-N 3.12Å |
| 371 | Q | 92 | Very high | 89.1 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.2 | -73.7 | -176.3 | 20.3 | 0 | 0 | 111.6 | Y296 L302 S367 E368 N369 V374 R375 | Y296-Q371 HydrophobicContact CE1-CG 4.43Å; L302-Q371 HydrophobicContact CD1-CB 4.05Å; L302-Q371 HydrophobicContact CD1-CG 3.98Å; S367-Q371 WeakPolarHBondContact O-CB 3.44Å; S367-Q371 WeakPolarHBondContact O-CG 3.35Å; S367-Q371 PolarHBondContact O-N 3.43Å; E368-Q371 PolarHBondContact O-N 3.29Å; N369-Q371 PolarHBondContact O-N 3.49Å; Q371-V374 PolarHBondContact O-N 3.3Å; Q371-R375 WeakPolarHBondContact O-CB 3.39Å; Q371-R375 VanDerWaalsContact O-CG 3.29Å; Q371-R375 WeakPolarHBondContact O-CG 3.49Å; Q371-R375 PolarHBondContact O-N 3.12Å |
| 372 | M | 92.2 | Very high | 88.6 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.4 | 178.3 | -169.8 | 65.1 | 0 | 0 | 111.2 | L237 T238 E368 N369 S370 R375 K376 | L237-M372 HydrophobicContact CB-CE 3.87Å; L237-M372 WeakPolarHBondContact O-CE 3.27Å; T238-M372 HydrophobicContact CG2-CE 4.22Å; E368-M372 WeakPolarHBondContact O-CB 3.19Å; E368-M372 PolarHBondContact O-N 2.97Å; N369-M372 WeakPolarHBondContact O-CB 3.36Å; N369-M372 PolarHBondContact O-N 2.91Å; S370-M372 VanDerWaalsContact C-N 3.35Å; M372-R375 PolarHBondContact O-N 3.1Å; M372-K376 PolarHBondContact O-N 2.62Å |
| 373 | L | 92.6 | Very high | 87.5 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 177.8 | -69.2 | 179.2 | 0 | 0 | 0 | 112.3 | T238 Y258 F293 N369 S370 R375 K376 A377 | T238-L373 HydrophobicContact CG2-CD1 4.05Å; T238-L373 HydrophobicContact CG2-CD2 4.08Å; T238-L373 HydrophobicContact CG2-CG 4.21Å; Y258-L373 HydrophobicContact CD1-CD2 3.7Å; Y258-L373 HydrophobicContact CD2-CD1 3.58Å; Y258-L373 HydrophobicContact CD2-CD2 3.59Å; Y258-L373 HydrophobicContact CD2-CG 4.23Å; Y258-L373 HydrophobicContact CE1-CD2 4.12Å; Y258-L373 HydrophobicContact CE2-CD1 3.52Å; Y258-L373 HydrophobicContact CE2-CD2 4.03Å; Y258-L373 HydrophobicContact CE2-CG 4.39Å; Y258-L373 HydrophobicContact CG-CD1 4.29Å; Y258-L373 HydrophobicContact CG-CD2 3.38Å; Y258-L373 HydrophobicContact CG-CG 4.47Å; F293-L373 HydrophobicContact CE1-CB 4.06Å; F293-L373 HydrophobicContact CE1-CD1 4.03Å; F293-L373 HydrophobicContact CZ-CD1 3.97Å; N369-L373 VanDerWaalsContact O-CG 3.31Å; N369-L373 WeakPolarHBondContact O-CG 3.31Å; N369-L373 PolarHBondContact O-N 2.71Å; S370-L373 PolarHBondContact O-N 3.48Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.16Å; L373-K376 WeakPolarHBondContact O-CB 3.47Å; L373-K376 PolarHBondContact O-N 2.97Å; L373-A377 PolarHBondContact O-N 3.07Å |
| 374 | V | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F293 Y296 A297 L302 F315 S370 Q371 A377 I378 | F293-V374 HydrophobicContact CD1-CG2 4.22Å; Y296-V374 HydrophobicContact CD1-CG2 3.92Å; Y296-V374 HydrophobicContact CE1-CG2 4.26Å; A297-V374 HydrophobicContact CB-CB 4.45Å; A297-V374 HydrophobicContact CB-CG1 3.55Å; A297-V374 HydrophobicContact CB-CG2 3.95Å; L302-V374 HydrophobicContact CB-CG1 3.79Å; L302-V374 HydrophobicContact CD1-CB 3.65Å; L302-V374 HydrophobicContact CD1-CG1 3.51Å; L302-V374 HydrophobicContact CD1-CG2 4.41Å; L302-V374 HydrophobicContact CG-CG1 4.31Å; F315-V374 HydrophobicContact CE1-CG2 4.36Å; S370-V374 WeakPolarHBondContact O-CG2 3.47Å; S370-V374 PolarHBondContact O-N 3.12Å; Q371-V374 PolarHBondContact O-N 3.3Å; V374-A377 PolarHBondContact O-N 2.92Å; V374-I378 HydrophobicContact CG1-CD1 4.05Å; V374-I378 HydrophobicContact CG1-CG1 4.44Å; V374-I378 VanDerWaalsContact O-CG1 3.31Å; V374-I378 WeakPolarHBondContact O-CG1 3.45Å; V374-I378 PolarHBondContact O-N 3.27Å |
| 375 | R | 90.6 | Very high | 86.3 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 50% | 0.498 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.5 | -72.9 | 175 | -173.4 | 142.5 | 6.8 | 112 | L302 Q371 M372 L373 I378 K379 | L302-R375 HydrophobicContact CD2-CG 4.48Å; Q371-R375 WeakPolarHBondContact O-CB 3.39Å; Q371-R375 VanDerWaalsContact O-CG 3.29Å; Q371-R375 WeakPolarHBondContact O-CG 3.49Å; Q371-R375 PolarHBondContact O-N 3.12Å; M372-R375 PolarHBondContact O-N 3.1Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.16Å; R375-I378 PolarHBondContact O-N 2.81Å; R375-K379 WeakPolarHBondContact O-CG 3.5Å; R375-K379 PolarHBondContact O-N 2.85Å |
| 376 | K | 88.6 | Confident | 85.1 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 171.5 | -171.3 | -176.3 | -168.6 | -77.4 | 0 | 110.2 | L237 G261 E317 M372 L373 I378 K379 A380 | L237-K376 HydrophobicContact CD1-CD 3.89Å; G261-K376 PolarHBondContact O-NZ 3.26Å; E317-K376 PolarHBondContact O-NZ 2.86Å; E317-K376 IonicContact OE1-NZ 2.79Å; E317-K376 PolarHBondContact OE1-NZ 3.36Å; M372-K376 PolarHBondContact O-N 2.62Å; L373-K376 WeakPolarHBondContact O-CB 3.47Å; L373-K376 PolarHBondContact O-N 2.97Å; K376-I378 PolarHBondContact O-N 3.15Å; K376-K379 CarbonylContact O-C 3.54Å; K376-K379 WeakPolarHBondContact O-CB 3.06Å; K376-K379 PolarHBondContact O-N 3.32Å; K376-K379 VanDerWaalsContact O-N 3.14Å; K376-A380 PolarHBondContact O-N 2.93Å |
| 377 | A | 90.7 | Very high | 83.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L310 D314 F315 L373 V374 A380 R381 | L310-A377 HydrophobicContact CD1-CB 3.9Å; D314-A377 HydrophobicContact CB-CB 4.35Å; D314-A377 WeakPolarHBondContact O-CA 3.29Å; D314-A377 VanDerWaalsContact O-CB 3.27Å; D314-A377 WeakPolarHBondContact O-CB 3.46Å; F315-A377 HydrophobicContact CD1-CB 3.44Å; F315-A377 VanDerWaalsContact CD1-CB 3.44Å; F315-A377 HydrophobicContact CE1-CB 3.58Å; F315-A377 HydrophobicContact CG-CB 4.25Å; L373-A377 PolarHBondContact O-N 3.07Å; V374-A377 PolarHBondContact O-N 2.92Å; A377-A380 WeakPolarHBondContact O-CB 3.15Å; A377-A380 PolarHBondContact O-N 3.22Å; A377-R381 PolarHBondContact O-N 3.46Å |
| 378 | I | 89.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.2 | -69.1 | 167.6 | 0 | 0 | 0 | 110.4 | L302 L310 V374 R375 K376 A380 R381 E382 | L302-I378 HydrophobicContact CB-CD1 4.32Å; L310-I378 HydrophobicContact CD1-CG1 4.03Å; L310-I378 HydrophobicContact CD2-CG1 4.31Å; V374-I378 HydrophobicContact CG1-CD1 4.05Å; V374-I378 HydrophobicContact CG1-CG1 4.44Å; V374-I378 VanDerWaalsContact O-CG1 3.31Å; V374-I378 WeakPolarHBondContact O-CG1 3.45Å; V374-I378 PolarHBondContact O-N 3.27Å; R375-I378 PolarHBondContact O-N 2.81Å; K376-I378 PolarHBondContact O-N 3.15Å; I378-A380 VanDerWaalsContact C-N 3.32Å; I378-A380 PolarHBondContact O-N 3.22Å; I378-R381 PolarHBondContact O-N 2.72Å; I378-E382 WeakPolarHBondContact O-CG 3.27Å; I378-E382 PolarHBondContact O-N 3.4Å |
| 379 | K | 82.1 | Confident | 81.5 | Confident | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 174.1 | -71.1 | 178.6 | -178.9 | 179.3 | 0 | 111.9 | R375 K376 E382 A383 | R375-K379 WeakPolarHBondContact O-CG 3.5Å; R375-K379 PolarHBondContact O-N 2.85Å; K376-K379 CarbonylContact O-C 3.54Å; K376-K379 WeakPolarHBondContact O-CB 3.06Å; K376-K379 PolarHBondContact O-N 3.32Å; K376-K379 VanDerWaalsContact O-N 3.14Å; K379-E382 PolarHBondContact O-N 3.46Å; K379-A383 WeakPolarHBondContact O-CB 3.34Å; K379-A383 PolarHBondContact O-N 2.78Å |
| 380 | A | 81.1 | Confident | 79.8 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D314 E317 K376 A377 I378 E382 A383 R384 | D314-A380 HydrophobicContact CB-CB 4.34Å; E317-A380 WeakPolarHBondContact OE2-CB 3.12Å; K376-A380 PolarHBondContact O-N 2.93Å; A377-A380 WeakPolarHBondContact O-CB 3.15Å; A377-A380 PolarHBondContact O-N 3.22Å; I378-A380 VanDerWaalsContact C-N 3.32Å; I378-A380 PolarHBondContact O-N 3.22Å; A380-E382 PolarHBondContact O-N 2.83Å; A380-A383 PolarHBondContact O-N 2.71Å; A380-R384 VanDerWaalsContact O-CB 3.31Å; A380-R384 WeakPolarHBondContact O-CB 3.13Å; A380-R384 PolarHBondContact O-N 3.01Å |
| 381 | R | 84.1 | Confident | 77.8 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 172.2 | 178.7 | -174.6 | 63.2 | -172.1 | 5.2 | 111.3 | L303 K308 L310 A377 I378 A383 R384 E385 | L303-R381 VanDerWaalsContact CD2-NH1 3.34Å; K308-R381 PolarHBondContact O-NH1 3.42Å; K308-R381 VanDerWaalsContact O-NH1 3.08Å; L310-R381 HydrophobicContact CD2-CB 3.55Å; L310-R381 HydrophobicContact CD2-CG 4.15Å; A377-R381 PolarHBondContact O-N 3.46Å; I378-R381 PolarHBondContact O-N 2.72Å; R381-A383 VanDerWaalsContact C-N 3.32Å; R381-A383 PolarHBondContact O-N 3.3Å; R381-R384 CarbonylContact O-C 3.42Å; R381-R384 PolarHBondContact O-N 3.05Å; R381-E385 HydrophobicContact CG-CG 4.08Å; R381-E385 WeakPolarHBondContact O-CB 3.28Å; R381-E385 WeakPolarHBondContact O-CG 3.28Å; R381-E385 PolarHBondContact O-N 2.95Å |
| 382 | E | 79 | Confident | 76.2 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.7 | -74.8 | 174.6 | -178.6 | 0 | 0 | 111.5 | I378 K379 A380 A386 | I378-E382 WeakPolarHBondContact O-CG 3.27Å; I378-E382 PolarHBondContact O-N 3.4Å; K379-E382 PolarHBondContact O-N 3.46Å; A380-E382 PolarHBondContact O-N 2.83Å; E382-A386 WeakPolarHBondContact O-CA 3.23Å; E382-A386 WeakPolarHBondContact O-CB 3.23Å; E382-A386 PolarHBondContact O-N 2.79Å |
| 383 | A | 70 | Confident | 74.4 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K379 A380 R381 A387 | K379-A383 WeakPolarHBondContact O-CB 3.34Å; K379-A383 PolarHBondContact O-N 2.78Å; A380-A383 PolarHBondContact O-N 2.71Å; R381-A383 VanDerWaalsContact C-N 3.32Å; R381-A383 PolarHBondContact O-N 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 2.75Å |
| 384 | R | 79 | Confident | 72.3 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 175.9 | -178.9 | 177.1 | 59.9 | 85.9 | -4.2 | 112.4 | E311 D314 A380 R381 A387 R388 | E311-R384 VanDerWaalsContact CD-NH2 3.26Å; E311-R384 IonicContact OE1-CZ 3.96Å; E311-R384 VanDerWaalsContact OE1-CZ 3.25Å; E311-R384 IonicContact OE1-NH1 2.76Å; E311-R384 PolarHBondContact OE1-NH1 3.42Å; E311-R384 IonicContact OE1-NH2 3.53Å; E311-R384 PolarHBondContact OE1-NH2 2.99Å; E311-R384 IonicContact OE2-CZ 2.77Å; E311-R384 IonicContact OE2-NE 3.43Å; E311-R384 IonicContact OE2-NH1 3.97Å; E311-R384 PolarHBondContact OE2-NH1 3.03Å; E311-R384 VanDerWaalsContact OE2-NH1 3.08Å; E311-R384 IonicContact OE2-NH2 3.73Å; D314-R384 IonicContact OD1-CZ 2.59Å; D314-R384 IonicContact OD1-NE 2.94Å; D314-R384 PolarHBondContact OD1-NE 2.77Å; D314-R384 IonicContact OD1-NH2 3.56Å; D314-R384 IonicContact OD2-CZ 3.06Å; D314-R384 IonicContact OD2-NE 3.01Å; D314-R384 IonicContact OD2-NH2 2.75Å; D314-R384 PolarHBondContact OD2-NH2 3.2Å; A380-R384 VanDerWaalsContact O-CB 3.31Å; A380-R384 WeakPolarHBondContact O-CB 3.13Å; A380-R384 PolarHBondContact O-N 3.01Å; R381-R384 CarbonylContact O-C 3.42Å; R381-R384 PolarHBondContact O-N 3.05Å; R384-A387 PolarHBondContact O-N 2.99Å; R384-R388 VanDerWaalsContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CB 3.29Å; R384-R388 PolarHBondContact O-N 3.41Å |
| 385 | E | 76.5 | Confident | 69.9 | Low | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 175.8 | -75.6 | -171.9 | 164.2 | 0 | 0 | 111.2 | R381 R388 K389 | R381-E385 HydrophobicContact CG-CG 4.08Å; R381-E385 WeakPolarHBondContact O-CB 3.28Å; R381-E385 WeakPolarHBondContact O-CG 3.28Å; R381-E385 PolarHBondContact O-N 2.95Å; E385-R388 CarbonylContact O-C 3.43Å; E385-R388 PolarHBondContact O-N 3.48Å; E385-K389 WeakPolarHBondContact O-CB 3.19Å; E385-K389 PolarHBondContact O-N 3.07Å |
| 386 | A | 62.6 | Low | 67.7 | Low | 48 Ų | 48 | 68.4 Ų | 68.4 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | E382 K389 A390 | E382-A386 WeakPolarHBondContact O-CA 3.23Å; E382-A386 WeakPolarHBondContact O-CB 3.23Å; E382-A386 PolarHBondContact O-N 2.79Å; A386-K389 PolarHBondContact O-N 2.84Å; A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.23Å; A386-A390 PolarHBondContact O-N 3.07Å |
| 387 | A | 59.1 | Low | 65.5 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A383 R384 K389 A390 R391 L466 | A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 2.75Å; R384-A387 PolarHBondContact O-N 2.99Å; A387-K389 VanDerWaalsContact C-N 3.32Å; A387-K389 PolarHBondContact O-N 2.87Å; A387-A390 PolarHBondContact O-N 2.66Å; A387-R391 VanDerWaalsContact O-CB 3.23Å; A387-R391 WeakPolarHBondContact O-CB 3.5Å; A387-R391 WeakPolarHBondContact O-CG 3.46Å; A387-R391 PolarHBondContact O-N 2.98Å; A387-L466 HydrophobicContact CB-CD1 3.36Å |
| 388 | R | 66.8 | Low | 63 | Low | 122 Ų | 122 | 75.8 Ų | 75.8 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.2 | -177.1 | 178.6 | 170.4 | 160.7 | 6.3 | 111.8 | R384 E385 R391 E392 | R384-R388 VanDerWaalsContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CB 3.29Å; R384-R388 PolarHBondContact O-N 3.41Å; E385-R388 CarbonylContact O-C 3.43Å; E385-R388 PolarHBondContact O-N 3.48Å; R388-R391 CarbonylContact O-C 3.53Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 3.45Å; R388-E392 HydrophobicContact CG-CG 4.44Å; R388-E392 IonicContact CZ-OE1 3.1Å; R388-E392 IonicContact NE-OE1 2.73Å; R388-E392 PolarHBondContact NE-OE1 2.91Å; R388-E392 IonicContact NH2-OE1 3.03Å; R388-E392 VanDerWaalsContact O-CB 3.29Å; R388-E392 WeakPolarHBondContact O-CB 3.37Å; R388-E392 WeakPolarHBondContact O-CG 3.5Å; R388-E392 PolarHBondContact O-N 3.23Å |
| 389 | K | 62.4 | Low | 60.4 | Low | 127 Ų | 127 | 83.4 Ų | 83.4 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.1 | -44.3 | 178.5 | -173.6 | -178.6 | 176.3 | -171.7 | 0 | 111.6 | E385 A386 A387 R391 E392 E393 | E385-K389 WeakPolarHBondContact O-CB 3.19Å; E385-K389 PolarHBondContact O-N 3.07Å; A386-K389 PolarHBondContact O-N 2.84Å; A387-K389 VanDerWaalsContact C-N 3.32Å; A387-K389 PolarHBondContact O-N 2.87Å; K389-R391 VanDerWaalsContact C-N 3.26Å; K389-R391 PolarHBondContact O-N 2.88Å; K389-E392 CarbonylContact O-C 3.54Å; K389-E392 PolarHBondContact O-N 3.15Å; K389-E392 VanDerWaalsContact O-N 3.16Å; K389-E393 VanDerWaalsContact CE-OE1 3.27Å; K389-E393 WeakPolarHBondContact CE-OE1 3.4Å; K389-E393 WeakPolarHBondContact O-CB 3.44Å; K389-E393 WeakPolarHBondContact O-CG 3.49Å; K389-E393 PolarHBondContact O-N 2.87Å |
| 390 | A | 51.6 | Low | 58.2 | Low | 46 Ų | 46 | 87.1 Ų | 87.1 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A386 A387 S394 | A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.23Å; A386-A390 PolarHBondContact O-N 3.07Å; A387-A390 PolarHBondContact O-N 2.66Å; A390-S394 WeakPolarHBondContact O-CB 3.47Å; A390-S394 PolarHBondContact O-N 3.1Å |
| 391 | R | 50.2 | Low | 56 | Low | 56 Ų | 56 | 95.3 Ų | 95.3 | 21% | 0.211 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 170.7 | -74.3 | 174.4 | -163.7 | 172 | 11.8 | 112.2 | A387 R388 K389 E393 S394 R395 E485 | A387-R391 VanDerWaalsContact O-CB 3.23Å; A387-R391 WeakPolarHBondContact O-CB 3.5Å; A387-R391 WeakPolarHBondContact O-CG 3.46Å; A387-R391 PolarHBondContact O-N 2.98Å; R388-R391 CarbonylContact O-C 3.53Å; R388-R391 WeakPolarHBondContact O-CB 3.43Å; R388-R391 PolarHBondContact O-N 3.45Å; K389-R391 VanDerWaalsContact C-N 3.26Å; K389-R391 PolarHBondContact O-N 2.88Å; R391-E393 VanDerWaalsContact C-N 3.34Å; R391-E393 PolarHBondContact O-N 3.47Å; R391-S394 WeakPolarHBondContact CA-OG 3.31Å; R391-S394 CarbonylContact O-C 3.43Å; R391-S394 PolarHBondContact O-N 2.97Å; R391-S394 PolarHBondContact O-OG 3.08Å; R391-R395 WeakPolarHBondContact O-CB 3.2Å; R391-R395 PolarHBondContact O-N 3.26Å; R391-E485 IonicContact CZ-OE2 2.77Å; R391-E485 IonicContact NH1-OE2 2.64Å; R391-E485 PolarHBondContact NH1-OE2 3.09Å |
| 392 | E | 58.6 | Low | 53.7 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 178.2 | -83.1 | -178.5 | -166.2 | 0 | 0 | 111.4 | R388 K389 R395 N396 | R388-E392 HydrophobicContact CG-CG 4.44Å; R388-E392 IonicContact CZ-OE1 3.1Å; R388-E392 IonicContact NE-OE1 2.73Å; R388-E392 PolarHBondContact NE-OE1 2.91Å; R388-E392 IonicContact NH2-OE1 3.03Å; R388-E392 VanDerWaalsContact O-CB 3.29Å; R388-E392 WeakPolarHBondContact O-CB 3.37Å; R388-E392 WeakPolarHBondContact O-CG 3.5Å; R388-E392 PolarHBondContact O-N 3.23Å; K389-E392 CarbonylContact O-C 3.54Å; K389-E392 PolarHBondContact O-N 3.15Å; K389-E392 VanDerWaalsContact O-N 3.16Å; E392-R395 PolarHBondContact O-N 2.87Å; E392-N396 WeakPolarHBondContact O-CA 3.46Å; E392-N396 WeakPolarHBondContact O-CB 3.29Å; E392-N396 PolarHBondContact O-N 2.82Å; E392-N396 PolarHBondContact O-ND2 3.14Å; E392-N396 VanDerWaalsContact O-ND2 3.17Å |
| 393 | E | 54.2 | Low | 51.8 | Low | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | 171.7 | -77.4 | 174.5 | -177.8 | 0 | 0 | 110.3 | K389 R391 R395 G397 | K389-E393 VanDerWaalsContact CE-OE1 3.27Å; K389-E393 WeakPolarHBondContact CE-OE1 3.4Å; K389-E393 WeakPolarHBondContact O-CB 3.44Å; K389-E393 WeakPolarHBondContact O-CG 3.49Å; K389-E393 PolarHBondContact O-N 2.87Å; R391-E393 VanDerWaalsContact C-N 3.34Å; R391-E393 PolarHBondContact O-N 3.47Å; E393-R395 PolarHBondContact O-N 2.87Å; E393-G397 PolarHBondContact O-N 3.02Å |
| 394 | S | 48.1 | Very low | 50 | Low | 29 Ų | 29 | 109.3 Ų | 109.3 | 20% | 0.203 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 172.6 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | A390 R391 G397 Y476 | A390-S394 WeakPolarHBondContact O-CB 3.47Å; A390-S394 PolarHBondContact O-N 3.1Å; R391-S394 WeakPolarHBondContact CA-OG 3.31Å; R391-S394 CarbonylContact O-C 3.43Å; R391-S394 PolarHBondContact O-N 2.97Å; R391-S394 PolarHBondContact O-OG 3.08Å; S394-G397 PolarHBondContact O-N 3.49Å; S394-Y476 WeakPolarHBondContact CB-OH 3.4Å; S394-Y476 PolarHBondContact OG-OH 2.78Å |
| 395 | R | 43.6 | Very low | 48.3 | Very low | 178 Ų | 178 | 110.7 Ų | 110.7 | 67% | 0.672 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -82.3 | -34.4 | -176.1 | -162.3 | 177.9 | -174.2 | 174.8 | 5.6 | 111.2 | R391 E392 E393 G397 K398 | R391-R395 WeakPolarHBondContact O-CB 3.2Å; R391-R395 PolarHBondContact O-N 3.26Å; E392-R395 PolarHBondContact O-N 2.87Å; E393-R395 PolarHBondContact O-N 2.87Å; R395-G397 VanDerWaalsContact C-N 3.26Å; R395-K398 HydrophobicContact CG-CD 4.49Å; R395-K398 WeakPolarHBondContact O-CB 3.48Å; R395-K398 VanDerWaalsContact O-CG 3.26Å; R395-K398 WeakPolarHBondContact O-CG 3.42Å; R395-K398 PolarHBondContact O-N 2.9Å |
| 396 | N | 43.2 | Very low | 46.7 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -77.1 | -13.2 | 171.7 | -72.8 | -37.4 | 0 | 0 | 0 | 112.2 | E392 K398 K399 R400 | E392-N396 WeakPolarHBondContact O-CA 3.46Å; E392-N396 WeakPolarHBondContact O-CB 3.29Å; E392-N396 PolarHBondContact O-N 2.82Å; E392-N396 PolarHBondContact O-ND2 3.14Å; E392-N396 VanDerWaalsContact O-ND2 3.17Å; N396-K398 PolarHBondContact O-N 2.96Å; N396-K399 PolarHBondContact O-N 2.88Å; N396-R400 PolarHBondContact O-N 2.97Å |
| 397 | G | 42.8 | Very low | 46 | Very low | 30 Ų | 30 | 114.7 Ų | 114.7 | 31% | 0.309 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47 | -33 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E393 S394 R395 K399 R400 | E393-G397 PolarHBondContact O-N 3.02Å; S394-G397 PolarHBondContact O-N 3.49Å; R395-G397 VanDerWaalsContact C-N 3.26Å; G397-K399 VanDerWaalsContact C-N 3.26Å; G397-K399 PolarHBondContact O-N 3.29Å; G397-R400 CarbonylContact O-C 3.57Å; G397-R400 PolarHBondContact O-N 2.6Å; G397-R400 VanDerWaalsContact O-O 3.06Å |
| 398 | K | 37.6 | Very low | 45.8 | Very low | 163 Ų | 163 | 115.9 Ų | 115.9 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -22.3 | 173.3 | -65.2 | -179.6 | 170 | 179 | 0 | 114.4 | R395 N396 | R395-K398 HydrophobicContact CG-CD 4.49Å; R395-K398 WeakPolarHBondContact O-CB 3.48Å; R395-K398 VanDerWaalsContact O-CG 3.26Å; R395-K398 WeakPolarHBondContact O-CG 3.42Å; R395-K398 PolarHBondContact O-N 2.9Å; N396-K398 PolarHBondContact O-N 2.96Å |
| 399 | K | 36.5 | Very low | 45.4 | Very low | 185 Ų | 185 | 114.2 Ų | 114.2 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -25.3 | 175.7 | -77.9 | -173.6 | 178.3 | 175.4 | 0 | 112.3 | N396 G397 K401 | N396-K399 PolarHBondContact O-N 2.88Å; G397-K399 VanDerWaalsContact C-N 3.26Å; G397-K399 PolarHBondContact O-N 3.29Å; K399-K401 PolarHBondContact O-N 2.72Å |
| 400 | R | 36.5 | Very low | 46 | Very low | 225 Ų | 225 | 110 Ų | 110 | 85% | 0.849 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -89.4 | 91.7 | 171.1 | -83.7 | -176.5 | 158.4 | 174.6 | -5 | 109.6 | N396 G397 | N396-R400 PolarHBondContact O-N 2.97Å; G397-R400 CarbonylContact O-C 3.57Å; G397-R400 PolarHBondContact O-N 2.6Å; G397-R400 VanDerWaalsContact O-O 3.06Å |
| 401 | K | 33.4 | Very low | 47.6 | Very low | 177 Ų | 177 | 108.7 Ų | 108.7 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | trans | 78.3 | 109.9 | 171.3 | -63.9 | -179.4 | 175.2 | 178.2 | 0 | 115.7 | K399 G403 | K399-K401 PolarHBondContact O-N 2.72Å; K401-G403 PolarHBondContact O-N 2.74Å | ||
| 402 | K | 36.7 | Very low | 49.5 | Very low | 223 Ų | 223 | 107.2 Ų | 107.2 | 97% | 0.97 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 34.3 | 173.7 | -139.3 | 177.7 | -173.9 | -177.6 | 0 | 113.8 | ||
| 403 | G | 38.6 | Very low | 51 | Low | 68 Ų | 68 | 106.6 Ų | 106.6 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.4 | -20.4 | -170 | 0 | 0 | 0 | 0 | 0 | 116.9 | K401 | K401-G403 PolarHBondContact O-N 2.74Š|
| 404 | E | 33.2 | Very low | 52.6 | Low | 176 Ų | 176 | 101.6 Ų | 101.6 | 82% | 0.822 | 53% | 0.531 | S | S | * | . | trans | -131.7 | 91.9 | 177.1 | -78.6 | 175.3 | 162.6 | 0 | 0 | 108.5 | L406 | E404-L406 PolarHBondContact O-N 2.98Š| ||
| 405 | S | 41.7 | Very low | 54.6 | Low | 85 Ų | 85 | 106.5 Ų | 106.5 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -58 | 130.8 | 165.1 | -174.7 | 0 | 0 | 0 | 0 | 108 | L407 | S405-L407 PolarHBondContact O-N 3.17Å; S405-L407 WeakPolarHBondContact OG-CD1 3.28Å; S405-L407 PolarHBondContact OG-N 2.74Å | ||
| 406 | L | 44.3 | Very low | 56.7 | Low | 130 Ų | 130 | 99.8 Ų | 99.8 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | trans | -62.1 | 22.2 | 164.2 | -105.9 | 147.6 | 0 | 0 | 0 | 112.7 | E404 S408 | E404-L406 PolarHBondContact O-N 2.98Å; L406-S408 VanDerWaalsContact C-N 3.31Å; L406-S408 PolarHBondContact O-N 3.07Å | ||
| 407 | L | 47.3 | Very low | 58.7 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 48% | 0.482 | 55% | 0.553 | S | S | . | * | trans | -57.4 | 106.5 | 154.5 | -101.6 | 87.8 | 0 | 0 | 0 | 105 | S405 G409 L411 | S405-L407 PolarHBondContact O-N 3.17Å; S405-L407 WeakPolarHBondContact OG-CD1 3.28Å; S405-L407 PolarHBondContact OG-N 2.74Å; L407-G409 PolarHBondContact O-N 2.79Å; L407-G409 VanDerWaalsContact O-N 3.16Å; L407-L411 HydrophobicContact CD2-CB 4.36Å; L407-L411 HydrophobicContact CD2-CD2 3.65Å; L407-L411 HydrophobicContact CD2-CG 4.24Å; L407-L411 HydrophobicContact CG-CD2 4.05Å | ||
| 408 | S | 54.2 | Low | 60.8 | Low | 31 Ų | 31 | 108 Ų | 108 | 22% | 0.217 | 56% | 0.558 | C | S | . | * | trans | -36.5 | 126.3 | 158.4 | 165.8 | 0 | 0 | 0 | 0 | 108.1 | L406 K410 L411 | L406-S408 VanDerWaalsContact C-N 3.31Å; L406-S408 PolarHBondContact O-N 3.07Å; S408-K410 PolarHBondContact O-N 3.23Å; S408-K410 WeakPolarHBondContact OG-CB 3.32Å; S408-K410 VanDerWaalsContact OG-CG 3.31Å; S408-K410 WeakPolarHBondContact OG-CG 3.5Å; S408-K410 PolarHBondContact OG-N 2.64Å; S408-L411 PolarHBondContact O-N 3.36Å | ||
| 409 | G | 59 | Low | 63.1 | Low | 88 Ų | 88 | 101.8 Ų | 101.8 | 91% | 0.907 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -3.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L407 | L407-G409 PolarHBondContact O-N 2.79Å; L407-G409 VanDerWaalsContact O-N 3.16Å |
| 410 | K | 74.7 | Confident | 65.5 | Low | 39 Ų | 39 | 96.1 Ų | 96.1 | 17% | 0.17 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -36.2 | 175.6 | -57 | -178.1 | -177.3 | -178.3 | 0 | 114 | S408 T412 R451 E470 | S408-K410 PolarHBondContact O-N 3.23Å; S408-K410 WeakPolarHBondContact OG-CB 3.32Å; S408-K410 VanDerWaalsContact OG-CG 3.31Å; S408-K410 WeakPolarHBondContact OG-CG 3.5Å; S408-K410 PolarHBondContact OG-N 2.64Å; K410-T412 PolarHBondContact O-N 2.94Å; K410-T412 VanDerWaalsContact O-N 3.09Å; K410-R451 VanDerWaalsContact NZ-CD 3.31Å; K410-R451 VanDerWaalsContact NZ-NE 3.12Å; K410-E470 IonicContact NZ-OE1 2.87Å; K410-E470 PolarHBondContact NZ-OE1 2.8Å; K410-E470 IonicContact NZ-OE2 3.66Å |
| 411 | L | 85.7 | Confident | 68 | Low | 17 Ų | 17 | 92.1 Ų | 92.1 | 9% | 0.089 | 51% | 0.514 | C | S | . | . | trans | -64.4 | 118.8 | -179.4 | 174.8 | 63.1 | 0 | 0 | 0 | 107.9 | L407 S408 P413 L424 A446 L448 T477 | L407-L411 HydrophobicContact CD2-CB 4.36Å; L407-L411 HydrophobicContact CD2-CD2 3.65Å; L407-L411 HydrophobicContact CD2-CG 4.24Å; L407-L411 HydrophobicContact CG-CD2 4.05Å; S408-L411 PolarHBondContact O-N 3.36Å; L411-P413 WeakPolarHBondContact O-CD 3.44Å; L411-L424 HydrophobicContact CD1-CD1 4.18Å; L411-A446 HydrophobicContact CD1-CB 4.45Å; L411-L448 HydrophobicContact CB-CD1 4.37Å; L411-L448 HydrophobicContact CD1-CB 4.2Å; L411-T477 HydrophobicContact CD1-CG2 3.62Å; L411-T477 HydrophobicContact CD2-CG2 3.71Å; L411-T477 HydrophobicContact CG-CG2 4.32Å | ||
| 412 | T | 90.1 | Very high | 70.9 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 15% | 0.153 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 103.5 | 169.1 | -39.2 | 0 | 0 | 0 | 0 | 108.4 | K410 K437 R440 A446 I447 | K410-T412 PolarHBondContact O-N 2.94Å; K410-T412 VanDerWaalsContact O-N 3.09Å; T412-K437 HydrophobicContact CG2-CD 4.19Å; T412-K437 HydrophobicContact CG2-CG 4.27Å; T412-R440 PolarHBondContact O-NH2 2.95Å; T412-A446 CarbonylContact O-C 3.58Å; T412-A446 VanDerWaalsContact O-CA 3.26Å; T412-A446 WeakPolarHBondContact O-CA 3.25Å; T412-I447 PolarHBondContact N-O 2.91Å; T412-I447 PolarHBondContact O-N 2.91Å |
| 413 | P | 89.6 | Confident | 73.7 | Confident | 69 Ų | 69 | 74.1 Ų | 74.1 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | trans | -73.5 | 163 | -170.2 | 30.5 | -36.8 | 0 | 0 | 0 | 113 | L411 R440 | L411-P413 WeakPolarHBondContact O-CD 3.44Å; P413-R440 PolarHBondContact O-NH2 3.27Å | ||
| 414 | A | 89.3 | Confident | 76.5 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | trans | -73.1 | 152.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F444 A446 | A414-F444 VanDerWaalsContact CB-C 3.46Å; A414-F444 WeakPolarHBondContact CB-O 3.41Å; A414-A446 HydrophobicContact CB-CB 4.39Å | ||
| 415 | Q | 89.2 | Confident | 79.4 | Confident | 132 Ų | 132 | 62.5 Ų | 62.5 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -77.1 | -33.5 | 175.9 | -68.9 | -178.6 | -12.2 | 0 | 0 | 112.6 | R442 K443 | Q415-R442 WeakPolarHBondContact CG-O 3.22Å; Q415-R442 PolarHBondContact N-O 2.85Å; Q415-K443 PolarHBondContact N-O 3.23Å |
| 416 | S | 88 | Confident | 82 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | trans | -67.2 | 140.3 | 177.2 | 164.2 | 0 | 0 | 0 | 0 | 111 | N418 N422 K443 | S416-N418 PolarHBondContact OG-N 3.37Å; S416-N422 WeakPolarHBondContact CB-OD1 3.25Å; S416-N422 PolarHBondContact O-ND2 3.36Å; S416-N422 PolarHBondContact O-OD1 3Å; S416-N422 PolarHBondContact OG-OD1 2.8Å; S416-K443 WeakPolarHBondContact CA-O 3.15Å; S416-K443 WeakPolarHBondContact CB-O 2.82Å; S416-K443 PolarHBondContact N-O 3.19Å | ||
| 417 | K | 84.2 | Confident | 84.3 | Confident | 207 Ų | 207 | 52.3 Ų | 52.3 | 90% | 0.9 | 30% | 0.303 | S | S | * | . | trans | -95.7 | -1.4 | 169.7 | -64.8 | -175 | 177.8 | -178.5 | 0 | 112.7 | A419 | K417-A419 PolarHBondContact O-N 3.26Š| ||
| 418 | N | 87.2 | Confident | 86.2 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | trans | -82.7 | 101.5 | 179.7 | -175.3 | -1.9 | 0 | 0 | 0 | 109.6 | S416 A420 K421 N422 | S416-N418 PolarHBondContact OG-N 3.37Å; N418-A420 PolarHBondContact O-N 3.31Å; N418-A420 WeakPolarHBondContact OD1-CB 3.24Å; N418-A420 PolarHBondContact OD1-N 2.84Å; N418-A420 VanDerWaalsContact OD1-N 3.13Å; N418-K421 PolarHBondContact O-N 2.84Å; N418-N422 PolarHBondContact O-N 3.05Å; N418-N422 PolarHBondContact O-OD1 2.85Å | ||
| 419 | A | 85.5 | Confident | 87.7 | Confident | 33 Ų | 33 | 49 Ų | 49 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -54.7 | -36.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K417 K421 N422 C491 N492 Y493 D494 | K417-A419 PolarHBondContact O-N 3.26Å; A419-K421 PolarHBondContact O-N 3.36Å; A419-K421 VanDerWaalsContact O-N 3.12Å; A419-N422 PolarHBondContact O-N 3.49Å; A419-N422 VanDerWaalsContact O-N 3.12Å; A419-C491 WeakPolarHBondContact CB-O 3.33Å; A419-N492 WeakPolarHBondContact CA-O 3.47Å; A419-Y493 CarbonylContact O-C 3.46Å; A419-D494 PolarHBondContact O-N 3.37Å |
| 420 | A | 87.9 | Confident | 88.9 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -68 | -9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N418 | N418-A420 PolarHBondContact O-N 3.31Å; N418-A420 WeakPolarHBondContact OD1-CB 3.24Å; N418-A420 PolarHBondContact OD1-N 2.84Å; N418-A420 VanDerWaalsContact OD1-N 3.13Å |
| 421 | K | 88.6 | Confident | 89.3 | Confident | 142 Ų | 142 | 51.9 Ų | 51.9 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -112.2 | -14.1 | 173.1 | -67.7 | -168.2 | 175.3 | -165.2 | 0 | 113 | N418 A419 F444 | N418-K421 PolarHBondContact O-N 2.84Å; A419-K421 PolarHBondContact O-N 3.36Å; A419-K421 VanDerWaalsContact O-N 3.12Å; K421-F444 WeakPolarHBondContact O-CB 3.49Å; K421-F444 WeakPolarHBondContact O-CD2 3.17Å |
| 422 | N | 94.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | trans | -83.7 | 142.4 | -168.9 | -73.5 | -5.7 | 0 | 0 | 0 | 111.1 | S416 N418 A419 F444 Y493 D494 | S416-N422 WeakPolarHBondContact CB-OD1 3.25Å; S416-N422 PolarHBondContact O-ND2 3.36Å; S416-N422 PolarHBondContact O-OD1 3Å; S416-N422 PolarHBondContact OG-OD1 2.8Å; N418-N422 PolarHBondContact O-N 3.05Å; N418-N422 PolarHBondContact O-OD1 2.85Å; A419-N422 PolarHBondContact O-N 3.49Å; A419-N422 VanDerWaalsContact O-N 3.12Å; N422-F444 CarbonylContact C-O 3.52Å; N422-F444 VanDerWaalsContact CA-O 3.29Å; N422-F444 WeakPolarHBondContact CA-O 3.37Å; N422-Y493 HydrophobicContact CB-CD1 3.76Å; N422-Y493 HydrophobicContact CB-CE1 4.33Å; N422-D494 PolarHBondContact O-N 3.45Å | ||
| 423 | E | 95.9 | Very high | 89.1 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.6 | 177.9 | -56.9 | -179.4 | 160.7 | 0 | 0 | 109.8 | F425 F444 Q445 A446 K495 I497 R596 | E423-F425 HydrophobicContact CB-CE2 4.31Å; E423-F444 HydrophobicContact CG-CD2 4.01Å; E423-F444 HydrophobicContact CG-CE2 4.22Å; E423-F444 PolarHBondContact N-O 2.65Å; E423-F444 WeakPolarHBondContact OE2-CE2 3.37Å; E423-Q445 HydrophobicContact CB-CG 4.3Å; E423-Q445 CarbonylContact O-C 3.57Å; E423-Q445 WeakPolarHBondContact O-CA 3.31Å; E423-Q445 PolarHBondContact OE2-NE2 3.35Å; E423-A446 PolarHBondContact O-N 2.83Å; E423-K495 CarbonylContact C-O 3.54Å; E423-K495 WeakPolarHBondContact CA-O 3.48Å; E423-K495 HydrophobicContact CG-CB 4.17Å; E423-K495 HydrophobicContact CG-CD 4.44Å; E423-K495 HydrophobicContact CG-CG 4.5Å; E423-K495 IonicContact OE1-NZ 3.15Å; E423-I497 HydrophobicContact CB-CD1 4.27Å; E423-R596 IonicContact OE1-CZ 2.82Å; E423-R596 IonicContact OE1-NH1 2.88Å; E423-R596 IonicContact OE1-NH2 2.94Å; E423-R596 PolarHBondContact OE1-NH2 3.26Å; E423-R596 IonicContact OE2-CZ 2.9Å; E423-R596 IonicContact OE2-NH1 3.2Å; E423-R596 PolarHBondContact OE2-NH1 3.29Å; E423-R596 IonicContact OE2-NH2 3.53Å; E423-R596 PolarHBondContact OE2-NH2 3.35Å |
| 424 | L | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.4 | 174 | 174.7 | 65 | 0 | 0 | 0 | 109.5 | L411 L426 A446 L448 T477 I478 Y493 K495 V496 I497 | L411-L424 HydrophobicContact CD1-CD1 4.18Å; L424-L426 HydrophobicContact CD2-CD2 4.04Å; L424-L426 HydrophobicContact CG-CD2 4.16Å; L424-A446 HydrophobicContact CD1-CB 4.01Å; L424-L448 HydrophobicContact CD1-CB 4.06Å; L424-T477 HydrophobicContact CD1-CG2 3.64Å; L424-T477 HydrophobicContact CD2-CG2 3.64Å; L424-T477 HydrophobicContact CG-CG2 4.29Å; L424-I478 HydrophobicContact CD2-CG1 3.89Å; L424-Y493 HydrophobicContact CB-CD1 3.77Å; L424-Y493 HydrophobicContact CB-CD2 3.84Å; L424-Y493 HydrophobicContact CB-CE1 3.94Å; L424-Y493 HydrophobicContact CB-CE2 3.97Å; L424-Y493 HydrophobicContact CB-CG 3.74Å; L424-Y493 HydrophobicContact CD1-CE2 4.44Å; L424-Y493 HydrophobicContact CD2-CD2 4.1Å; L424-Y493 HydrophobicContact CD2-CE2 3.9Å; L424-Y493 HydrophobicContact CG-CE2 4.33Å; L424-K495 PolarHBondContact N-O 3.43Å; L424-V496 HydrophobicContact CD2-CG1 4.37Å; L424-V496 CarbonylContact O-C 3.58Å; L424-I497 PolarHBondContact O-N 2.85Å |
| 425 | F | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.3 | 170.2 | -71.1 | -101.3 | 0 | 0 | 0 | 110.5 | E423 V427 Q445 A446 I447 L448 I497 M499 M591 | E423-F425 HydrophobicContact CB-CE2 4.31Å; F425-V427 HydrophobicContact CB-CG2 3.99Å; F425-Q445 HydrophobicContact CD2-CB 4.45Å; F425-Q445 HydrophobicContact CE2-CB 4.25Å; F425-Q445 HydrophobicContact CE2-CG 4.03Å; F425-A446 PolarHBondContact N-O 3.38Å; F425-I447 HydrophobicContact CB-CD1 3.77Å; F425-I447 HydrophobicContact CD2-CD1 4.08Å; F425-I447 HydrophobicContact CG-CD1 4.13Å; F425-L448 PolarHBondContact O-N 2.97Å; F425-I497 CarbonylContact C-O 3.57Å; F425-I497 VanDerWaalsContact CA-O 3.31Å; F425-I497 WeakPolarHBondContact CA-O 3.5Å; F425-I497 HydrophobicContact CD1-CB 4.04Å; F425-I497 HydrophobicContact CD1-CD1 4.5Å; F425-I497 HydrophobicContact CD1-CG2 3.9Å; F425-I497 HydrophobicContact CD2-CD1 4.45Å; F425-I497 HydrophobicContact CE1-CB 4.14Å; F425-I497 HydrophobicContact CE1-CD1 3.9Å; F425-I497 HydrophobicContact CE1-CG2 3.78Å; F425-I497 HydrophobicContact CE2-CD1 3.82Å; F425-I497 HydrophobicContact CG-CB 4.41Å; F425-I497 HydrophobicContact CZ-CD1 3.53Å; F425-M499 HydrophobicContact CD1-CB 4.16Å; F425-M499 HydrophobicContact CD1-CE 4.13Å; F425-M499 HydrophobicContact CD1-SD 3.87Å; F425-M499 HydrophobicContact CE1-SD 4.18Å; F425-M591 HydrophobicContact CD2-CE 4.32Å; F425-M591 HydrophobicContact CE1-CG 4.23Å; F425-M591 HydrophobicContact CE2-CE 4.33Å; F425-M591 HydrophobicContact CG-CE 4.45Å; F425-M591 HydrophobicContact CZ-CB 4.25Å; F425-M591 HydrophobicContact CZ-CE 4.45Å; F425-M591 HydrophobicContact CZ-CG 4.38Å |
| 426 | L | 94.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.4 | 167.4 | -59.5 | -174.2 | 0 | 0 | 0 | 108.2 | L424 L448 L450 M474 V496 I497 M499 L513 F517 | L424-L426 HydrophobicContact CD2-CD2 4.04Å; L424-L426 HydrophobicContact CG-CD2 4.16Å; L426-L448 WeakPolarHBondContact CA-O 3.17Å; L426-L448 HydrophobicContact CD2-CB 3.97Å; L426-L448 HydrophobicContact CD2-CD2 3.77Å; L426-L448 HydrophobicContact CD2-CG 4.17Å; L426-L450 HydrophobicContact CB-CD1 4.28Å; L426-M474 HydrophobicContact CD1-SD 3.85Å; L426-M474 HydrophobicContact CD2-CG 4.35Å; L426-M474 HydrophobicContact CD2-SD 4.35Å; L426-V496 HydrophobicContact CD1-CG1 4.22Å; L426-V496 HydrophobicContact CG-CG1 4.4Å; L426-I497 PolarHBondContact N-O 3.27Å; L426-M499 PolarHBondContact O-N 2.95Å; L426-L513 HydrophobicContact CD1-CD1 4.28Å; L426-L513 HydrophobicContact CD1-CD2 4.2Å; L426-F517 HydrophobicContact CD1-CE2 4.19Å; L426-F517 HydrophobicContact CD1-CZ 3.67Å |
| 427 | V | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.7 | -169.4 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | F425 G429 A432 A436 I447 L448 P449 L450 M499 L578 | F425-V427 HydrophobicContact CB-CG2 3.99Å; V427-G429 PolarHBondContact O-N 3.42Å; V427-A432 HydrophobicContact CG1-CB 3.6Å; V427-A436 HydrophobicContact CG2-CB 4.21Å; V427-I447 HydrophobicContact CG2-CG2 3.74Å; V427-L448 PolarHBondContact N-O 3.33Å; V427-P449 CarbonylContact O-C 3.57Å; V427-P449 WeakPolarHBondContact O-CA 3.49Å; V427-L450 PolarHBondContact O-N 3.07Å; V427-M499 WeakPolarHBondContact CA-O 3.41Å; V427-M499 HydrophobicContact CB-CE 4.36Å; V427-M499 HydrophobicContact CG1-CE 3.93Å; V427-M499 HydrophobicContact CG2-CE 3.55Å; V427-L578 HydrophobicContact CG1-CD1 4.47Å |
| 428 | E | 87.8 | Confident | 89.5 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 110.1 | 173.4 | -179.1 | 170.5 | -169.6 | 0 | 0 | 111.4 | A432 M499 T500 D501 G506 I509 | E428-A432 WeakPolarHBondContact O-CB 3.38Å; E428-M499 PolarHBondContact N-O 3.4Å; E428-M499 VanDerWaalsContact N-O 3.1Å; E428-T500 HydrophobicContact CB-CG2 4.29Å; E428-T500 VanDerWaalsContact OE2-CB 3.32Å; E428-T500 WeakPolarHBondContact OE2-CB 3.45Å; E428-D501 WeakPolarHBondContact OE2-CB 3.46Å; E428-D501 PolarHBondContact OE2-N 2.94Å; E428-G506 WeakPolarHBondContact OE2-CA 3.44Å; E428-I509 VanDerWaalsContact CD-CD1 3.43Å; E428-I509 HydrophobicContact CG-CD1 3.73Å; E428-I509 WeakPolarHBondContact OE1-CD1 3.31Å |
| 429 | G | 85.6 | Confident | 89.6 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | 80.9 | 156.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V427 S431 G433 L450 | V427-G429 PolarHBondContact O-N 3.42Å; G429-S431 VanDerWaalsContact C-N 3.34Å; G429-S431 PolarHBondContact O-N 2.94Å; G429-G433 PolarHBondContact O-N 3.2Å; G429-L450 VanDerWaalsContact CA-O 3.32Å; G429-L450 WeakPolarHBondContact CA-O 3.44Å; G429-L450 PolarHBondContact N-O 3.22Å |
| 430 | D | 84.7 | Confident | 89.9 | Confident | 90 Ų | 90 | 40.2 Ų | 40.2 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.5 | -30.1 | -179.1 | -71.6 | -39.9 | 0 | 0 | 0 | 112.5 | G433 G434 | D430-G433 PolarHBondContact O-N 3.48Å; D430-G434 PolarHBondContact O-N 3.03Å |
| 431 | S | 81.6 | Confident | 90.1 | Very high | 97 Ų | 97 | 39 Ų | 39 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.5 | -55.6 | 179.6 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | G429 G433 G434 S435 | G429-S431 VanDerWaalsContact C-N 3.34Å; G429-S431 PolarHBondContact O-N 2.94Å; S431-G433 VanDerWaalsContact C-N 3.28Å; S431-G433 PolarHBondContact O-N 2.78Å; S431-G434 PolarHBondContact O-N 2.62Å; S431-G434 VanDerWaalsContact O-N 3.1Å; S431-S435 PolarHBondContact O-N 3.41Å |
| 432 | A | 85 | Confident | 90.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | V427 E428 G434 S435 A436 L578 | V427-A432 HydrophobicContact CG1-CB 3.6Å; E428-A432 WeakPolarHBondContact O-CB 3.38Å; A432-G434 PolarHBondContact O-N 2.82Å; A432-S435 PolarHBondContact O-N 3.44Å; A432-A436 WeakPolarHBondContact O-CB 3.1Å; A432-A436 PolarHBondContact O-N 3.02Å; A432-L578 HydrophobicContact CB-CB 3.54Å; A432-L578 HydrophobicContact CB-CD1 4.35Å |
| 433 | G | 88.1 | Confident | 90.1 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -35.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G429 D430 S431 K437 | G429-G433 PolarHBondContact O-N 3.2Å; D430-G433 PolarHBondContact O-N 3.48Å; S431-G433 VanDerWaalsContact C-N 3.28Å; S431-G433 PolarHBondContact O-N 2.78Å; G433-K437 WeakPolarHBondContact O-CB 3.3Å; G433-K437 PolarHBondContact O-N 2.85Å |
| 434 | G | 87.6 | Confident | 89.9 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.5 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D430 S431 A432 K437 Q438 | D430-G434 PolarHBondContact O-N 3.03Å; S431-G434 PolarHBondContact O-N 2.62Å; S431-G434 VanDerWaalsContact O-N 3.1Å; A432-G434 PolarHBondContact O-N 2.82Å; G434-K437 PolarHBondContact O-N 3.45Å; G434-Q438 WeakPolarHBondContact O-CG 3.42Å; G434-Q438 PolarHBondContact O-N 3.45Å |
| 435 | S | 88.6 | Confident | 89.9 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | S431 A432 K437 Q438 G439 M581 | S431-S435 PolarHBondContact O-N 3.41Å; A432-S435 PolarHBondContact O-N 3.44Å; S435-K437 VanDerWaalsContact C-N 3.31Å; S435-K437 PolarHBondContact O-N 3.34Å; S435-Q438 PolarHBondContact O-N 2.9Å; S435-Q438 VanDerWaalsContact O-N 3.07Å; S435-G439 PolarHBondContact O-N 3.23Å; S435-M581 PolarHBondContact OG-O 3.21Å; S435-M581 VanDerWaalsContact OG-O 3.14Å |
| 436 | A | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V427 A432 Q438 G439 R440 I447 M499 L586 M591 | V427-A436 HydrophobicContact CG2-CB 4.21Å; A432-A436 WeakPolarHBondContact O-CB 3.1Å; A432-A436 PolarHBondContact O-N 3.02Å; A436-Q438 VanDerWaalsContact C-N 3.27Å; A436-Q438 PolarHBondContact O-N 2.99Å; A436-G439 PolarHBondContact O-N 2.83Å; A436-R440 WeakPolarHBondContact O-CB 3.28Å; A436-R440 PolarHBondContact O-N 2.89Å; A436-R440 VanDerWaalsContact O-N 3.08Å; A436-I447 HydrophobicContact CB-CD1 4.11Å; A436-I447 HydrophobicContact CB-CG1 4.46Å; A436-I447 HydrophobicContact CB-CG2 4.12Å; A436-M499 HydrophobicContact CB-CE 3.77Å; A436-L586 HydrophobicContact CB-CD2 3.72Å; A436-M591 HydrophobicContact CB-CE 4.18Å; A436-M591 HydrophobicContact CB-SD 4.11Å |
| 437 | K | 90.7 | Very high | 89.8 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -35.5 | 175.5 | 174.3 | 175 | -179.1 | 175.5 | 0 | 112.7 | T412 G433 G434 S435 | T412-K437 HydrophobicContact CG2-CD 4.19Å; T412-K437 HydrophobicContact CG2-CG 4.27Å; G433-K437 WeakPolarHBondContact O-CB 3.3Å; G433-K437 PolarHBondContact O-N 2.85Å; G434-K437 PolarHBondContact O-N 3.45Å; S435-K437 VanDerWaalsContact C-N 3.31Å; S435-K437 PolarHBondContact O-N 3.34Å |
| 438 | Q | 90.4 | Very high | 89.8 | Confident | 156 Ų | 156 | 47.2 Ų | 47.2 | 73% | 0.729 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -81.3 | -36.1 | 179.4 | -69.2 | 178.2 | 49.9 | 0 | 0 | 112.4 | G434 S435 A436 A583 | G434-Q438 WeakPolarHBondContact O-CG 3.42Å; G434-Q438 PolarHBondContact O-N 3.45Å; S435-Q438 PolarHBondContact O-N 2.9Å; S435-Q438 VanDerWaalsContact O-N 3.07Å; A436-Q438 VanDerWaalsContact C-N 3.27Å; A436-Q438 PolarHBondContact O-N 2.99Å; Q438-A583 HydrophobicContact CB-CB 3.68Å |
| 439 | G | 87.9 | Confident | 90 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -82 | -25.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S435 A436 A583 | S435-G439 PolarHBondContact O-N 3.23Å; A436-G439 PolarHBondContact O-N 2.83Å; G439-A583 WeakPolarHBondContact CA-O 3.03Å |
| 440 | R | 92.3 | Very high | 90.2 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -64 | 158.7 | -172.8 | 79.9 | -175.6 | -161.8 | -116.2 | 2.3 | 115.6 | T412 P413 A436 R442 Q445 I447 M591 | T412-R440 PolarHBondContact O-NH2 2.95Å; P413-R440 PolarHBondContact O-NH2 3.27Å; A436-R440 WeakPolarHBondContact O-CB 3.28Å; A436-R440 PolarHBondContact O-N 2.89Å; A436-R440 VanDerWaalsContact O-N 3.08Å; R440-R442 PolarHBondContact O-N 2.87Å; R440-Q445 HydrophobicContact CB-CB 4.12Å; R440-Q445 WeakPolarHBondContact CD-O 3.39Å; R440-Q445 PolarHBondContact NE-O 3.38Å; R440-I447 HydrophobicContact CB-CD1 4.29Å; R440-M591 HydrophobicContact CB-CE 3.47Å; R440-M591 VanDerWaalsContact CB-CE 3.47Å |
| 441 | D | 92.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | trans | -80.7 | 98.7 | 157.7 | -170.1 | -10.8 | 0 | 0 | 0 | 110.6 | K443 F444 Q445 W587 | D441-K443 PolarHBondContact O-N 2.67Å; D441-K443 VanDerWaalsContact OD1-CB 3.23Å; D441-K443 WeakPolarHBondContact OD1-CB 3.39Å; D441-K443 VanDerWaalsContact OD1-CG 3.26Å; D441-K443 WeakPolarHBondContact OD1-CG 3.46Å; D441-K443 PolarHBondContact OD1-N 2.83Å; D441-F444 HydrophobicContact CB-CD1 4.18Å; D441-F444 HydrophobicContact CB-CE1 3.61Å; D441-F444 HydrophobicContact CB-CZ 4.18Å; D441-F444 PolarHBondContact O-N 3.35Å; D441-F444 WeakPolarHBondContact OD2-CE1 3.26Å; D441-Q445 VanDerWaalsContact N-OE1 3.12Å; D441-Q445 WeakPolarHBondContact O-CB 3.5Å; D441-Q445 PolarHBondContact O-N 2.96Å; D441-W587 HydrophobicContact CB-CH2 3.68Å; D441-W587 HydrophobicContact CB-CZ3 3.9Å | ||
| 442 | R | 91.4 | Very high | 89.4 | Confident | 162 Ų | 162 | 46 Ų | 46 | 61% | 0.611 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.8 | 177.3 | 63.3 | -177.1 | 156.8 | -167.6 | -11.2 | 114.8 | Q415 R440 F444 | Q415-R442 WeakPolarHBondContact CG-O 3.22Å; Q415-R442 PolarHBondContact N-O 2.85Å; R440-R442 PolarHBondContact O-N 2.87Å; R442-F444 VanDerWaalsContact C-N 3.3Å; R442-F444 PolarHBondContact O-N 3.22Å |
| 443 | K | 91.3 | Very high | 89.3 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -41.9 | 177.4 | -70.3 | 173.6 | -170.2 | 162.1 | 0 | 111 | Q415 S416 D441 | Q415-K443 PolarHBondContact N-O 3.23Å; S416-K443 WeakPolarHBondContact CA-O 3.15Å; S416-K443 WeakPolarHBondContact CB-O 2.82Å; S416-K443 PolarHBondContact N-O 3.19Å; D441-K443 PolarHBondContact O-N 2.67Å; D441-K443 VanDerWaalsContact OD1-CB 3.23Å; D441-K443 WeakPolarHBondContact OD1-CB 3.39Å; D441-K443 VanDerWaalsContact OD1-CG 3.26Å; D441-K443 WeakPolarHBondContact OD1-CG 3.46Å; D441-K443 PolarHBondContact OD1-N 2.83Å |
| 444 | F | 92.9 | Very high | 89.2 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 18% | 0.18 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -13.3 | -173.1 | 67.4 | -87.4 | 0 | 0 | 0 | 114.7 | A414 K421 N422 E423 D441 R442 P593 | A414-F444 VanDerWaalsContact CB-C 3.46Å; A414-F444 WeakPolarHBondContact CB-O 3.41Å; K421-F444 WeakPolarHBondContact O-CB 3.49Å; K421-F444 WeakPolarHBondContact O-CD2 3.17Å; N422-F444 CarbonylContact C-O 3.52Å; N422-F444 VanDerWaalsContact CA-O 3.29Å; N422-F444 WeakPolarHBondContact CA-O 3.37Å; E423-F444 HydrophobicContact CG-CD2 4.01Å; E423-F444 HydrophobicContact CG-CE2 4.22Å; E423-F444 PolarHBondContact N-O 2.65Å; E423-F444 WeakPolarHBondContact OE2-CE2 3.37Å; D441-F444 HydrophobicContact CB-CD1 4.18Å; D441-F444 HydrophobicContact CB-CE1 3.61Å; D441-F444 HydrophobicContact CB-CZ 4.18Å; D441-F444 PolarHBondContact O-N 3.35Å; D441-F444 WeakPolarHBondContact OD2-CE1 3.26Å; R442-F444 VanDerWaalsContact C-N 3.3Å; R442-F444 PolarHBondContact O-N 3.22Å; F444-P593 HydrophobicContact CE2-CG 4.08Å; F444-P593 HydrophobicContact CZ-CG 3.76Å |
| 445 | Q | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.7 | -179.8 | -58.6 | -177.5 | -29.7 | 0 | 0 | 112.5 | E423 F425 R440 D441 M591 | E423-Q445 HydrophobicContact CB-CG 4.3Å; E423-Q445 CarbonylContact O-C 3.57Å; E423-Q445 WeakPolarHBondContact O-CA 3.31Å; E423-Q445 PolarHBondContact OE2-NE2 3.35Å; F425-Q445 HydrophobicContact CD2-CB 4.45Å; F425-Q445 HydrophobicContact CE2-CB 4.25Å; F425-Q445 HydrophobicContact CE2-CG 4.03Å; R440-Q445 HydrophobicContact CB-CB 4.12Å; R440-Q445 WeakPolarHBondContact CD-O 3.39Å; R440-Q445 PolarHBondContact NE-O 3.38Å; D441-Q445 VanDerWaalsContact N-OE1 3.12Å; D441-Q445 WeakPolarHBondContact O-CB 3.5Å; D441-Q445 PolarHBondContact O-N 2.96Å; Q445-M591 PolarHBondContact NE2-O 3.41Å |
| 446 | A | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L411 T412 A414 E423 L424 F425 Y493 | L411-A446 HydrophobicContact CD1-CB 4.45Å; T412-A446 CarbonylContact O-C 3.58Å; T412-A446 VanDerWaalsContact O-CA 3.26Å; T412-A446 WeakPolarHBondContact O-CA 3.25Å; A414-A446 HydrophobicContact CB-CB 4.39Å; E423-A446 PolarHBondContact O-N 2.83Å; L424-A446 HydrophobicContact CD1-CB 4.01Å; F425-A446 PolarHBondContact N-O 3.38Å; A446-Y493 HydrophobicContact CB-CE1 3.72Å |
| 447 | I | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.5 | -178.7 | -50.9 | -59.4 | 0 | 0 | 0 | 109.6 | T412 F425 V427 A436 R440 P449 M591 | T412-I447 PolarHBondContact N-O 2.91Å; T412-I447 PolarHBondContact O-N 2.91Å; F425-I447 HydrophobicContact CB-CD1 3.77Å; F425-I447 HydrophobicContact CD2-CD1 4.08Å; F425-I447 HydrophobicContact CG-CD1 4.13Å; V427-I447 HydrophobicContact CG2-CG2 3.74Å; A436-I447 HydrophobicContact CB-CD1 4.11Å; A436-I447 HydrophobicContact CB-CG1 4.46Å; A436-I447 HydrophobicContact CB-CG2 4.12Å; R440-I447 HydrophobicContact CB-CD1 4.29Å; I447-P449 HydrophobicContact CG2-CG 4.41Å; I447-M591 HydrophobicContact CD1-CE 3.61Å |
| 448 | L | 93.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 101.4 | 172.7 | 179.1 | 58.8 | 0 | 0 | 0 | 110 | L411 L424 F425 L426 V427 T473 M474 T477 | L411-L448 HydrophobicContact CB-CD1 4.37Å; L411-L448 HydrophobicContact CD1-CB 4.2Å; L424-L448 HydrophobicContact CD1-CB 4.06Å; F425-L448 PolarHBondContact O-N 2.97Å; L426-L448 WeakPolarHBondContact CA-O 3.17Å; L426-L448 HydrophobicContact CD2-CB 3.97Å; L426-L448 HydrophobicContact CD2-CD2 3.77Å; L426-L448 HydrophobicContact CD2-CG 4.17Å; V427-L448 PolarHBondContact N-O 3.33Å; L448-T473 HydrophobicContact CD1-CG2 3.62Å; L448-T473 HydrophobicContact CD2-CG2 4.18Å; L448-M474 HydrophobicContact CD2-CB 4.49Å; L448-M474 HydrophobicContact CD2-CG 3.83Å; L448-T477 HydrophobicContact CD2-CG2 4.39Å |
| 449 | P | 92 | Very high | 88.4 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.5 | 173.3 | -15.9 | 30.6 | 0 | 0 | 0 | 111.7 | V427 I447 | V427-P449 CarbonylContact O-C 3.57Å; V427-P449 WeakPolarHBondContact O-CA 3.49Å; I447-P449 HydrophobicContact CG2-CG 4.41Å |
| 450 | L | 89 | Confident | 88.1 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 142.2 | 176.9 | -59.5 | 177.9 | 0 | 0 | 0 | 110.9 | L426 V427 G429 V454 M474 L513 | L426-L450 HydrophobicContact CB-CD1 4.28Å; V427-L450 PolarHBondContact O-N 3.07Å; G429-L450 VanDerWaalsContact CA-O 3.32Å; G429-L450 WeakPolarHBondContact CA-O 3.44Å; G429-L450 PolarHBondContact N-O 3.22Å; L450-V454 HydrophobicContact CD1-CG2 4.1Å; L450-M474 HydrophobicContact CD2-CG 4.17Å; L450-M474 HydrophobicContact CD2-SD 4.01Å; L450-L513 HydrophobicContact CD1-CD1 3.81Å; L450-L513 HydrophobicContact CD1-CD2 3.97Å; L450-L513 HydrophobicContact CD1-CG 4.36Å |
| 451 | R | 76.5 | Confident | 87.3 | Confident | 150 Ų | 150 | 49.1 Ų | 49.1 | 57% | 0.566 | 23% | 0.23 | S | C | * | . | trans | -90.7 | 106.9 | 173.9 | -76.8 | 179.3 | -177.6 | 170.4 | 0.9 | 111.7 | K410 E470 | K410-R451 VanDerWaalsContact NZ-CD 3.31Å; K410-R451 VanDerWaalsContact NZ-NE 3.12Å; R451-E470 WeakPolarHBondContact CB-OE1 3.32Å | ||
| 452 | G | 73.3 | Confident | 86.3 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 57.8 | -153.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 453 | K | 82.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -75 | 127.5 | -177.6 | -65.7 | 178.4 | 175.8 | -169.8 | 0 | 111 | D505 H508 I509 L512 | K453-D505 WeakPolarHBondContact CE-OD1 3.35Å; K453-D505 IonicContact NZ-OD1 3.24Å; K453-D505 PolarHBondContact NZ-OD1 3.27Å; K453-H508 WeakPolarHBondContact CD-ND1 3.35Å; K453-I509 HydrophobicContact CG-CG1 4.24Å; K453-L512 HydrophobicContact CB-CD1 4.13Å |
| 454 | V | 86.9 | Confident | 84.5 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 146.8 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | L450 N456 I471 L512 L513 | L450-V454 HydrophobicContact CD1-CG2 4.1Å; V454-N456 PolarHBondContact O-N 3.25Å; V454-I471 HydrophobicContact CG1-CD1 3.54Å; V454-I471 HydrophobicContact CG1-CG1 4.49Å; V454-L512 HydrophobicContact CB-CB 4.18Å; V454-L512 VanDerWaalsContact O-CD1 3.3Å; V454-L512 WeakPolarHBondContact O-CD1 3.49Å; V454-L513 HydrophobicContact CG2-CD2 3.88Å; V454-L513 HydrophobicContact CG2-CG 4.26Å |
| 455 | I | 87.3 | Confident | 83.9 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 135.6 | 176.5 | -169.9 | 171.5 | 0 | 0 | 0 | 110.1 | T457 A460 D464 N468 I471 | I455-T457 HydrophobicContact CG2-CG2 4.03Å; I455-T457 WeakPolarHBondContact O-CG2 3.42Å; I455-T457 PolarHBondContact O-N 2.89Å; I455-A460 HydrophobicContact CD1-CB 3.55Å; I455-A460 HydrophobicContact CG1-CB 3.83Å; I455-D464 HydrophobicContact CD1-CB 4.33Å; I455-N468 HydrophobicContact CG2-CB 4.36Å; I455-I471 HydrophobicContact CG2-CD1 4.24Å; I455-I471 HydrophobicContact CG2-CG1 3.84Å |
| 456 | N | 89.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | trans | -68.5 | 102.6 | 172.5 | -179.1 | -3.6 | 0 | 0 | 0 | 109.1 | V454 E458 K459 A460 L512 M617 | V454-N456 PolarHBondContact O-N 3.25Å; N456-E458 PolarHBondContact O-N 2.78Å; N456-E458 WeakPolarHBondContact OD1-CB 3.2Å; N456-E458 PolarHBondContact OD1-N 3.16Å; N456-K459 PolarHBondContact O-N 2.84Å; N456-A460 VanDerWaalsContact O-CB 3.25Å; N456-A460 WeakPolarHBondContact O-CB 3.39Å; N456-A460 PolarHBondContact O-N 2.58Å; N456-L512 HydrophobicContact CB-CD2 3.67Å; N456-M617 HydrophobicContact CB-CE 4.5Å; N456-M617 PolarHBondContact ND2-O 2.94Å | ||
| 457 | T | 86.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.4 | -174.7 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | I455 I465 I471 F516 Y520 | I455-T457 HydrophobicContact CG2-CG2 4.03Å; I455-T457 WeakPolarHBondContact O-CG2 3.42Å; I455-T457 PolarHBondContact O-N 2.89Å; T457-I465 HydrophobicContact CG2-CD1 4.13Å; T457-I465 HydrophobicContact CG2-CG1 4.19Å; T457-I465 HydrophobicContact CG2-CG2 4.31Å; T457-I471 HydrophobicContact CG2-CD1 4.07Å; T457-F516 HydrophobicContact CG2-CB 4.12Å; T457-F516 HydrophobicContact CG2-CD2 3.95Å; T457-F516 HydrophobicContact CG2-CG 4.47Å; T457-F516 WeakPolarHBondContact OG1-CA 3.32Å; T457-F516 PolarHBondContact OG1-N 2.97Å; T457-Y520 HydrophobicContact CG2-CE2 4.36Å |
| 458 | E | 86.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -40.2 | 171.1 | -178.3 | 67.7 | 169.7 | 0 | 0 | 111.8 | N456 T515 R519 T614 M617 | N456-E458 PolarHBondContact O-N 2.78Å; N456-E458 WeakPolarHBondContact OD1-CB 3.2Å; N456-E458 PolarHBondContact OD1-N 3.16Å; E458-T515 HydrophobicContact CB-CG2 3.95Å; E458-R519 VanDerWaalsContact CD-NH2 3.28Å; E458-R519 IonicContact OE1-CZ 3.85Å; E458-R519 IonicContact OE1-NE 3.33Å; E458-R519 IonicContact OE1-NH2 2.72Å; E458-R519 PolarHBondContact OE1-NH2 3.48Å; E458-R519 IonicContact OE2-CZ 2.82Å; E458-R519 IonicContact OE2-NE 3.82Å; E458-R519 PolarHBondContact OE2-NE 3.44Å; E458-R519 IonicContact OE2-NH2 3.76Å; E458-R519 PolarHBondContact OE2-NH2 2.99Å; E458-T614 PolarHBondContact OE1-OG1 2.92Å; E458-M617 HydrophobicContact CB-CB 3.83Å; E458-M617 HydrophobicContact CG-CB 4.06Å |
| 459 | K | 80.8 | Confident | 80.9 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -25.1 | -179.2 | -60.7 | -170.7 | 170.9 | -132.5 | 0 | 113.4 | N456 M617 G618 D619 | N456-K459 PolarHBondContact O-N 2.84Å; K459-M617 VanDerWaalsContact CE-O 3.23Å; K459-M617 WeakPolarHBondContact CE-O 3.32Å; K459-M617 VanDerWaalsContact CG-O 3.28Å; K459-M617 WeakPolarHBondContact CG-O 3.48Å; K459-G618 WeakPolarHBondContact CE-O 3.43Å; K459-G618 PolarHBondContact NZ-O 3.44Å; K459-D619 WeakPolarHBondContact CD-OD1 3.34Å; K459-D619 WeakPolarHBondContact CE-OD1 3.23Å; K459-D619 VanDerWaalsContact CG-OD1 3.23Å; K459-D619 WeakPolarHBondContact CG-OD1 3.34Å; K459-D619 IonicContact NZ-OD1 2.72Å; K459-D619 PolarHBondContact NZ-OD1 2.78Å |
| 460 | A | 81.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -78.7 | 139.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I455 N456 I465 | I455-A460 HydrophobicContact CD1-CB 3.55Å; I455-A460 HydrophobicContact CG1-CB 3.83Å; N456-A460 VanDerWaalsContact O-CB 3.25Å; N456-A460 WeakPolarHBondContact O-CB 3.39Å; N456-A460 PolarHBondContact O-N 2.58Å; A460-I465 HydrophobicContact CB-CD1 4.06Å; A460-I465 HydrophobicContact CB-CG1 3.64Å; A460-I465 WeakPolarHBondContact O-CD1 3.38Å |
| 461 | K | 75.3 | Confident | 80.4 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | trans | -68.9 | 148.3 | 172.1 | -64.3 | 177.1 | -178.4 | 174.4 | 0 | 109.4 | Q463 D464 I465 | K461-Q463 PolarHBondContact O-N 3.46Å; K461-D464 PolarHBondContact O-N 2.74Å; K461-I465 WeakPolarHBondContact O-CG1 3.12Å; K461-I465 PolarHBondContact O-N 2.84Å; K461-I465 VanDerWaalsContact O-N 3.1Å | ||
| 462 | M | 71.7 | Confident | 80.7 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -49.4 | -38 | 177.6 | -173.3 | 66.8 | 66.2 | 0 | 0 | 113.3 | D464 I465 L466 Y520 | M462-D464 VanDerWaalsContact C-N 3.33Å; M462-D464 PolarHBondContact O-N 2.76Å; M462-I465 PolarHBondContact O-N 3.36Å; M462-L466 HydrophobicContact CG-CD1 3.87Å; M462-L466 HydrophobicContact CG-CG 4.36Å; M462-L466 WeakPolarHBondContact O-CB 3.2Å; M462-L466 VanDerWaalsContact O-CG 3.26Å; M462-L466 WeakPolarHBondContact O-CG 3.15Å; M462-L466 PolarHBondContact O-N 3.16Å; M462-L466 HydrophobicContact SD-CD1 4.21Å; M462-L466 HydrophobicContact SD-CG 4.29Å; M462-Y520 HydrophobicContact CE-CE1 3.59Å; M462-Y520 HydrophobicContact SD-CE1 4.02Å |
| 463 | Q | 69.8 | Low | 81.2 | Confident | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.9 | -37.5 | 177.9 | -67.2 | -177.2 | -8.4 | 0 | 0 | 112.9 | K461 K467 | K461-Q463 PolarHBondContact O-N 3.46Å; Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 VanDerWaalsContact O-CG 3.24Å; Q463-K467 WeakPolarHBondContact O-CG 3.35Å; Q463-K467 PolarHBondContact O-N 3.24Å |
| 464 | D | 76.5 | Confident | 81.4 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77.3 | -37.3 | -179.3 | -59.3 | -39.9 | 0 | 0 | 0 | 110.7 | I455 K461 M462 L466 K467 N468 | I455-D464 HydrophobicContact CD1-CB 4.33Å; K461-D464 PolarHBondContact O-N 2.74Å; M462-D464 VanDerWaalsContact C-N 3.33Å; M462-D464 PolarHBondContact O-N 2.76Å; D464-L466 PolarHBondContact O-N 3.04Å; D464-K467 PolarHBondContact O-N 3.4Å; D464-N468 PolarHBondContact O-N 3.4Å |
| 465 | I | 79.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 173.1 | -62.1 | 173.9 | 0 | 0 | 0 | 110.5 | T457 A460 K461 M462 N468 I471 Y520 | T457-I465 HydrophobicContact CG2-CD1 4.13Å; T457-I465 HydrophobicContact CG2-CG1 4.19Å; T457-I465 HydrophobicContact CG2-CG2 4.31Å; A460-I465 HydrophobicContact CB-CD1 4.06Å; A460-I465 HydrophobicContact CB-CG1 3.64Å; A460-I465 WeakPolarHBondContact O-CD1 3.38Å; K461-I465 WeakPolarHBondContact O-CG1 3.12Å; K461-I465 PolarHBondContact O-N 2.84Å; K461-I465 VanDerWaalsContact O-N 3.1Å; M462-I465 PolarHBondContact O-N 3.36Å; I465-N468 VanDerWaalsContact O-CB 3.29Å; I465-N468 WeakPolarHBondContact O-CB 3.11Å; I465-N468 PolarHBondContact O-N 3.35Å; I465-I471 HydrophobicContact CG2-CG1 4.44Å; I465-I471 HydrophobicContact CG2-CG2 3.79Å; I465-Y520 HydrophobicContact CD1-CE2 3.97Å; I465-Y520 WeakPolarHBondContact CD1-OH 3.42Å |
| 466 | L | 73.6 | Confident | 81.1 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.126 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -77.6 | -17.2 | 179.8 | -66.3 | 174 | 0 | 0 | 0 | 114 | A387 M462 D464 N468 N472 | A387-L466 HydrophobicContact CB-CD1 3.36Å; M462-L466 HydrophobicContact CG-CD1 3.87Å; M462-L466 HydrophobicContact CG-CG 4.36Å; M462-L466 WeakPolarHBondContact O-CB 3.2Å; M462-L466 VanDerWaalsContact O-CG 3.26Å; M462-L466 WeakPolarHBondContact O-CG 3.15Å; M462-L466 PolarHBondContact O-N 3.16Å; M462-L466 HydrophobicContact SD-CD1 4.21Å; M462-L466 HydrophobicContact SD-CG 4.29Å; D464-L466 PolarHBondContact O-N 3.04Å; L466-N468 VanDerWaalsContact C-N 3.34Å; L466-N472 PolarHBondContact O-ND2 3.03Å |
| 467 | K | 75.1 | Confident | 81 | Confident | 150 Ų | 150 | 51.8 Ų | 51.8 | 65% | 0.652 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -80.6 | -20.5 | 167.8 | -77.5 | 171.7 | -175.2 | 172 | 0 | 111.9 | Q463 D464 E469 | Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 VanDerWaalsContact O-CG 3.24Å; Q463-K467 WeakPolarHBondContact O-CG 3.35Å; Q463-K467 PolarHBondContact O-N 3.24Å; D464-K467 PolarHBondContact O-N 3.4Å; K467-E469 PolarHBondContact O-N 3.36Å |
| 468 | N | 82.8 | Confident | 81.1 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | trans | -69.6 | 118.5 | -177.5 | -170.5 | -70.3 | 0 | 0 | 0 | 110.7 | I455 D464 I465 L466 E470 I471 N472 | I455-N468 HydrophobicContact CG2-CB 4.36Å; D464-N468 PolarHBondContact O-N 3.4Å; I465-N468 VanDerWaalsContact O-CB 3.29Å; I465-N468 WeakPolarHBondContact O-CB 3.11Å; I465-N468 PolarHBondContact O-N 3.35Å; L466-N468 VanDerWaalsContact C-N 3.34Å; N468-E470 VanDerWaalsContact C-N 3.32Å; N468-E470 PolarHBondContact O-N 3.25Å; N468-E470 WeakPolarHBondContact OD1-CB 3.27Å; N468-E470 PolarHBondContact OD1-N 3.15Å; N468-I471 HydrophobicContact CB-CB 4.17Å; N468-I471 HydrophobicContact CB-CG1 4Å; N468-I471 PolarHBondContact OD1-N 2.7Å; N468-N472 WeakPolarHBondContact O-CB 3.5Å; N468-N472 PolarHBondContact O-N 3.03Å; N468-N472 VanDerWaalsContact O-N 3.09Å; N468-N472 PolarHBondContact O-ND2 2.6Å | ||
| 469 | E | 81.8 | Confident | 81 | Confident | 138 Ų | 138 | 51.2 Ų | 51.2 | 65% | 0.645 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.2 | -35.1 | -177.9 | -65.2 | -172.4 | 161.6 | 0 | 0 | 112.7 | K467 T473 | K467-E469 PolarHBondContact O-N 3.36Å; E469-T473 VanDerWaalsContact O-CB 3.31Å; E469-T473 WeakPolarHBondContact O-CB 3.45Å; E469-T473 PolarHBondContact O-N 2.88Å; E469-T473 PolarHBondContact O-OG1 2.93Å |
| 470 | E | 84.4 | Confident | 81 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.2 | -47.3 | -179.1 | -58.7 | -62.2 | 150.3 | 0 | 0 | 110.6 | K410 R451 N468 N472 T473 M474 | K410-E470 IonicContact NZ-OE1 2.87Å; K410-E470 PolarHBondContact NZ-OE1 2.8Å; K410-E470 IonicContact NZ-OE2 3.66Å; R451-E470 WeakPolarHBondContact CB-OE1 3.32Å; N468-E470 VanDerWaalsContact C-N 3.32Å; N468-E470 PolarHBondContact O-N 3.25Å; N468-E470 WeakPolarHBondContact OD1-CB 3.27Å; N468-E470 PolarHBondContact OD1-N 3.15Å; E470-N472 PolarHBondContact O-N 2.82Å; E470-T473 PolarHBondContact O-N 3.38Å; E470-M474 WeakPolarHBondContact O-CG 3.26Å; E470-M474 PolarHBondContact O-N 3.25Å |
| 471 | I | 86.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 175.1 | -63.2 | -62.3 | 0 | 0 | 0 | 110.9 | V454 I455 T457 I465 N468 T473 M474 I475 F516 | V454-I471 HydrophobicContact CG1-CD1 3.54Å; V454-I471 HydrophobicContact CG1-CG1 4.49Å; I455-I471 HydrophobicContact CG2-CD1 4.24Å; I455-I471 HydrophobicContact CG2-CG1 3.84Å; T457-I471 HydrophobicContact CG2-CD1 4.07Å; I465-I471 HydrophobicContact CG2-CG1 4.44Å; I465-I471 HydrophobicContact CG2-CG2 3.79Å; N468-I471 HydrophobicContact CB-CB 4.17Å; N468-I471 HydrophobicContact CB-CG1 4Å; N468-I471 PolarHBondContact OD1-N 2.7Å; I471-T473 VanDerWaalsContact C-N 3.31Å; I471-T473 PolarHBondContact O-N 2.83Å; I471-M474 HydrophobicContact CD1-CE 3.68Å; I471-M474 PolarHBondContact O-N 2.82Å; I471-I475 HydrophobicContact CG2-CD1 3.68Å; I471-I475 HydrophobicContact CG2-CG1 4.27Å; I471-I475 VanDerWaalsContact O-CG1 3.29Å; I471-I475 WeakPolarHBondContact O-CG1 3.35Å; I471-I475 PolarHBondContact O-N 2.79Å; I471-F516 HydrophobicContact CD1-CD2 3.92Å; I471-F516 HydrophobicContact CD1-CE2 4.21Å; I471-F516 HydrophobicContact CD1-CG 4.1Å; I471-F516 HydrophobicContact CG2-CD2 4.32Å; I471-F516 HydrophobicContact CG2-CE2 3.62Å; I471-F516 HydrophobicContact CG2-CZ 3.98Å |
| 472 | N | 82.9 | Confident | 81 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 177.9 | -81.5 | -33.7 | 0 | 0 | 0 | 111.7 | L466 N468 E470 M474 I475 Y476 | L466-N472 PolarHBondContact O-ND2 3.03Å; N468-N472 WeakPolarHBondContact O-CB 3.5Å; N468-N472 PolarHBondContact O-N 3.03Å; N468-N472 VanDerWaalsContact O-N 3.09Å; N468-N472 PolarHBondContact O-ND2 2.6Å; E470-N472 PolarHBondContact O-N 2.82Å; N472-M474 VanDerWaalsContact C-N 3.32Å; N472-M474 PolarHBondContact O-N 2.86Å; N472-I475 PolarHBondContact O-N 2.89Å; N472-Y476 HydrophobicContact CB-CD2 4.45Å; N472-Y476 HydrophobicContact CB-CE2 4.02Å; N472-Y476 WeakPolarHBondContact O-CD2 3.44Å; N472-Y476 PolarHBondContact O-N 2.78Å |
| 473 | T | 83.7 | Confident | 81 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 178.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | L448 E469 E470 I471 T477 | L448-T473 HydrophobicContact CD1-CG2 3.62Å; L448-T473 HydrophobicContact CD2-CG2 4.18Å; E469-T473 VanDerWaalsContact O-CB 3.31Å; E469-T473 WeakPolarHBondContact O-CB 3.45Å; E469-T473 PolarHBondContact O-N 2.88Å; E469-T473 PolarHBondContact O-OG1 2.93Å; E470-T473 PolarHBondContact O-N 3.38Å; I471-T473 VanDerWaalsContact C-N 3.31Å; I471-T473 PolarHBondContact O-N 2.83Å; T473-T477 VanDerWaalsContact O-CB 3.28Å; T473-T477 WeakPolarHBondContact O-CB 3.27Å; T473-T477 PolarHBondContact O-N 3.15Å; T473-T477 PolarHBondContact O-OG1 2.79Å |
| 474 | M | 87.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 174.9 | -68.8 | -167.7 | -50.8 | 0 | 0 | 112.2 | L426 L448 L450 E470 I471 N472 Y476 T477 I478 L513 F516 | L426-M474 HydrophobicContact CD1-SD 3.85Å; L426-M474 HydrophobicContact CD2-CG 4.35Å; L426-M474 HydrophobicContact CD2-SD 4.35Å; L448-M474 HydrophobicContact CD2-CB 4.49Å; L448-M474 HydrophobicContact CD2-CG 3.83Å; L450-M474 HydrophobicContact CD2-CG 4.17Å; L450-M474 HydrophobicContact CD2-SD 4.01Å; E470-M474 WeakPolarHBondContact O-CG 3.26Å; E470-M474 PolarHBondContact O-N 3.25Å; I471-M474 HydrophobicContact CD1-CE 3.68Å; I471-M474 PolarHBondContact O-N 2.82Å; N472-M474 VanDerWaalsContact C-N 3.32Å; N472-M474 PolarHBondContact O-N 2.86Å; M474-Y476 PolarHBondContact O-N 2.94Å; M474-T477 PolarHBondContact O-N 3.06Å; M474-T477 VanDerWaalsContact O-N 3.14Å; M474-I478 WeakPolarHBondContact O-CG1 3.38Å; M474-I478 PolarHBondContact O-N 3.15Å; M474-L513 HydrophobicContact CE-CD2 3.87Å; M474-L513 HydrophobicContact SD-CD2 3.56Å; M474-L513 VanDerWaalsContact SD-CD2 3.56Å; M474-F516 HydrophobicContact CE-CD1 3.57Å; M474-F516 HydrophobicContact CE-CE1 3.58Å; M474-F516 HydrophobicContact CE-CG 4.3Å; M474-F516 HydrophobicContact CE-CZ 4.32Å |
| 475 | I | 84.7 | Confident | 80.2 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.4 | -49 | 178.6 | -65.9 | 170.3 | 0 | 0 | 0 | 111 | I471 N472 T477 G479 V482 F516 M521 | I471-I475 HydrophobicContact CG2-CD1 3.68Å; I471-I475 HydrophobicContact CG2-CG1 4.27Å; I471-I475 VanDerWaalsContact O-CG1 3.29Å; I471-I475 WeakPolarHBondContact O-CG1 3.35Å; I471-I475 PolarHBondContact O-N 2.79Å; N472-I475 PolarHBondContact O-N 2.89Å; I475-T477 VanDerWaalsContact C-N 3.33Å; I475-T477 PolarHBondContact O-N 2.84Å; I475-G479 PolarHBondContact O-N 3.1Å; I475-G479 VanDerWaalsContact O-N 3.08Å; I475-V482 HydrophobicContact CB-CG1 4.43Å; I475-V482 HydrophobicContact CD1-CG1 3.67Å; I475-V482 HydrophobicContact CD1-CG2 4.3Å; I475-V482 HydrophobicContact CG1-CG1 3.58Å; I475-V482 HydrophobicContact CG2-CG1 4.04Å; I475-F516 HydrophobicContact CD1-CE2 4.43Å; I475-F516 HydrophobicContact CD1-CZ 4.19Å; I475-F516 HydrophobicContact CG1-CE2 4.47Å; I475-F516 HydrophobicContact CG1-CZ 3.76Å; I475-M521 HydrophobicContact CB-CE 4.33Å; I475-M521 HydrophobicContact CG1-CE 3.9Å |
| 476 | Y | 83.2 | Confident | 80.2 | Confident | 102 Ų | 102 | 43 Ų | 43 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.7 | -36.7 | 177.9 | -68.7 | -62.8 | 0 | 0 | 0 | 112.9 | S394 N472 M474 | S394-Y476 WeakPolarHBondContact CB-OH 3.4Å; S394-Y476 PolarHBondContact OG-OH 2.78Å; N472-Y476 HydrophobicContact CB-CD2 4.45Å; N472-Y476 HydrophobicContact CB-CE2 4.02Å; N472-Y476 WeakPolarHBondContact O-CD2 3.44Å; N472-Y476 PolarHBondContact O-N 2.78Å; M474-Y476 PolarHBondContact O-N 2.94Å |
| 477 | T | 86.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -53 | -178.9 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | L411 L424 L448 T473 M474 I475 G479 N492 Y493 | L411-T477 HydrophobicContact CD1-CG2 3.62Å; L411-T477 HydrophobicContact CD2-CG2 3.71Å; L411-T477 HydrophobicContact CG-CG2 4.32Å; L424-T477 HydrophobicContact CD1-CG2 3.64Å; L424-T477 HydrophobicContact CD2-CG2 3.64Å; L424-T477 HydrophobicContact CG-CG2 4.29Å; L448-T477 HydrophobicContact CD2-CG2 4.39Å; T473-T477 VanDerWaalsContact O-CB 3.28Å; T473-T477 WeakPolarHBondContact O-CB 3.27Å; T473-T477 PolarHBondContact O-N 3.15Å; T473-T477 PolarHBondContact O-OG1 2.79Å; M474-T477 PolarHBondContact O-N 3.06Å; M474-T477 VanDerWaalsContact O-N 3.14Å; I475-T477 VanDerWaalsContact C-N 3.33Å; I475-T477 PolarHBondContact O-N 2.84Å; T477-G479 VanDerWaalsContact C-N 3.32Å; T477-G479 PolarHBondContact O-N 3.29Å; T477-N492 PolarHBondContact O-ND2 2.8Å; T477-Y493 HydrophobicContact CG2-CE2 3.9Å; T477-Y493 VanDerWaalsContact O-CE2 3.23Å; T477-Y493 WeakPolarHBondContact O-CE2 3.3Å |
| 478 | I | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | -179.2 | -65.8 | 169.6 | 0 | 0 | 0 | 111.1 | L424 M474 S480 N492 V496 F517 M521 L524 | L424-I478 HydrophobicContact CD2-CG1 3.89Å; M474-I478 WeakPolarHBondContact O-CG1 3.38Å; M474-I478 PolarHBondContact O-N 3.15Å; I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.64Å; I478-N492 WeakPolarHBondContact O-CB 3.32Å; I478-N492 PolarHBondContact O-N 3.26Å; I478-N492 PolarHBondContact O-ND2 2.74Å; I478-V496 HydrophobicContact CD1-CG1 4.49Å; I478-V496 HydrophobicContact CG1-CG2 4.4Å; I478-F517 HydrophobicContact CD1-CE1 3.7Å; I478-F517 HydrophobicContact CD1-CZ 4.35Å; I478-M521 HydrophobicContact CB-CE 4.4Å; I478-M521 HydrophobicContact CD1-CE 3.99Å; I478-M521 HydrophobicContact CD1-SD 3.64Å; I478-M521 HydrophobicContact CG2-SD 4.34Å; I478-L524 HydrophobicContact CD1-CD2 4.42Å |
| 479 | G | 84 | Confident | 81 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | trans | 87.1 | -12.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I475 T477 G481 | I475-G479 PolarHBondContact O-N 3.1Å; I475-G479 VanDerWaalsContact O-N 3.08Å; T477-G479 VanDerWaalsContact C-N 3.32Å; T477-G479 PolarHBondContact O-N 3.29Å; G479-G481 VanDerWaalsContact C-N 3.32Å; G479-G481 PolarHBondContact O-N 2.77Å | ||
| 480 | S | 82.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -76.7 | -5.2 | -176.7 | -67.3 | 0 | 0 | 0 | 0 | 116.2 | I478 F486 S487 C491 | I478-S480 VanDerWaalsContact C-N 3.31Å; I478-S480 PolarHBondContact O-N 2.64Å; S480-F486 VanDerWaalsContact CB-CZ 3.44Å; S480-F486 CarbonylContact O-C 3.35Å; S480-F486 VanDerWaalsContact O-CA 3.23Å; S480-F486 WeakPolarHBondContact O-CA 3.31Å; S480-S487 WeakPolarHBondContact CB-O 3.27Å; S480-S487 PolarHBondContact O-N 3.41Å; S480-S487 PolarHBondContact OG-O 3.2Å; S480-S487 VanDerWaalsContact OG-O 3.1Å; S480-C491 WeakPolarHBondContact OG-CA 3.35Å; S480-C491 WeakPolarHBondContact OG-CB 3.36Å; S480-C491 PolarHBondContact OG-N 3.07Å |
| 481 | G | 75.8 | Confident | 81.4 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | trans | 76.6 | -164.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G479 F486 M521 | G479-G481 VanDerWaalsContact C-N 3.32Å; G479-G481 PolarHBondContact O-N 2.77Å; G481-F486 VanDerWaalsContact O-CD2 3.28Å; G481-F486 WeakPolarHBondContact O-CD2 3.3Å; G481-M521 WeakPolarHBondContact O-CE 3.44Å | ||
| 482 | V | 80.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -149 | 153 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | I475 E485 F516 Y520 M521 | I475-V482 HydrophobicContact CB-CG1 4.43Å; I475-V482 HydrophobicContact CD1-CG1 3.67Å; I475-V482 HydrophobicContact CD1-CG2 4.3Å; I475-V482 HydrophobicContact CG1-CG1 3.58Å; I475-V482 HydrophobicContact CG2-CG1 4.04Å; V482-E485 PolarHBondContact O-N 2.68Å; V482-F516 HydrophobicContact CG1-CZ 4.39Å; V482-Y520 CarbonylContact C-O 3.59Å; V482-Y520 WeakPolarHBondContact CA-O 3.44Å; V482-Y520 WeakPolarHBondContact CB-O 3.46Å; V482-M521 HydrophobicContact CG1-CE 3.53Å; V482-M521 HydrophobicContact CG1-CG 4.02Å |
| 483 | G | 72.1 | Confident | 82.1 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | 62.2 | -133.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E485 F486 Y520 | G483-E485 PolarHBondContact O-N 3Å; G483-F486 WeakPolarHBondContact O-CB 3.35Å; G483-F486 PolarHBondContact O-N 3.41Å; G483-Y520 PolarHBondContact N-O 3.31Å |
| 484 | P | 62.9 | Low | 82.6 | Confident | 125 Ų | 125 | 45.6 Ų | 45.6 | 81% | 0.812 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -65 | -21.2 | -179.4 | -21.3 | 32.4 | 0 | 0 | 0 | 114.9 | F486 | P484-F486 VanDerWaalsContact C-N 3.29Š|
| 485 | E | 66.5 | Low | 82.9 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -88.9 | 4.3 | 175.6 | -63.8 | -174.8 | 163.1 | 0 | 0 | 112.1 | R391 V482 G483 S487 | R391-E485 IonicContact CZ-OE2 2.77Å; R391-E485 IonicContact NH1-OE2 2.64Å; R391-E485 PolarHBondContact NH1-OE2 3.09Å; V482-E485 PolarHBondContact O-N 2.68Å; G483-E485 PolarHBondContact O-N 3Å; E485-S487 PolarHBondContact O-N 2.93Å |
| 486 | F | 79 | Confident | 83.5 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | trans | -70.7 | 123.3 | 179 | -172.2 | -81.9 | 0 | 0 | 0 | 110.6 | S480 G481 G483 P484 I488 M521 P523 L524 | S480-F486 VanDerWaalsContact CB-CZ 3.44Å; S480-F486 CarbonylContact O-C 3.35Å; S480-F486 VanDerWaalsContact O-CA 3.23Å; S480-F486 WeakPolarHBondContact O-CA 3.31Å; G481-F486 VanDerWaalsContact O-CD2 3.28Å; G481-F486 WeakPolarHBondContact O-CD2 3.3Å; G483-F486 WeakPolarHBondContact O-CB 3.35Å; G483-F486 PolarHBondContact O-N 3.41Å; P484-F486 VanDerWaalsContact C-N 3.29Å; F486-I488 HydrophobicContact CE1-CB 4.07Å; F486-I488 HydrophobicContact CE1-CD1 4.06Å; F486-I488 HydrophobicContact CZ-CD1 4.28Å; F486-M521 HydrophobicContact CD2-CB 3.93Å; F486-M521 HydrophobicContact CD2-CG 3.81Å; F486-M521 HydrophobicContact CE2-CB 3.55Å; F486-M521 HydrophobicContact CE2-CG 3.61Å; F486-M521 HydrophobicContact CE2-SD 4.08Å; F486-M521 HydrophobicContact CZ-CB 4.31Å; F486-P523 HydrophobicContact CD1-CB 3.81Å; F486-P523 HydrophobicContact CD1-CG 3.76Å; F486-P523 HydrophobicContact CE1-CB 3.73Å; F486-P523 HydrophobicContact CE1-CG 4.17Å; F486-L524 HydrophobicContact CE2-CB 4.42Å; F486-L524 HydrophobicContact CZ-CB 3.83Å; F486-L524 HydrophobicContact CZ-CD1 4.22Å | ||
| 487 | S | 79.6 | Confident | 84.1 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | -120.1 | 120.9 | 170.2 | 165.8 | 0 | 0 | 0 | 0 | 109.2 | S480 E485 E489 D490 | S480-S487 WeakPolarHBondContact CB-O 3.27Å; S480-S487 PolarHBondContact O-N 3.41Å; S480-S487 PolarHBondContact OG-O 3.2Å; S480-S487 VanDerWaalsContact OG-O 3.1Å; E485-S487 PolarHBondContact O-N 2.93Å; S487-E489 PolarHBondContact O-N 3.19Å; S487-E489 PolarHBondContact OG-N 2.7Å; S487-E489 PolarHBondContact OG-OE2 2.75Å; S487-D490 PolarHBondContact O-N 2.87Å | ||
| 488 | I | 86.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 41 Ų | 41 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -67.6 | -27.6 | 178.5 | -169.9 | 60.4 | 0 | 0 | 0 | 111.3 | F486 D490 C491 L524 A527 K529 | F486-I488 HydrophobicContact CE1-CB 4.07Å; F486-I488 HydrophobicContact CE1-CD1 4.06Å; F486-I488 HydrophobicContact CZ-CD1 4.28Å; I488-D490 VanDerWaalsContact C-N 3.3Å; I488-D490 PolarHBondContact O-N 3.37Å; I488-C491 WeakPolarHBondContact O-CB 3.06Å; I488-C491 PolarHBondContact O-N 2.79Å; I488-L524 HydrophobicContact CD1-CD1 4.05Å; I488-A527 HydrophobicContact CD1-CB 3.85Å; I488-A527 HydrophobicContact CG1-CB 3.96Å; I488-K529 HydrophobicContact CD1-CD 4.01Å |
| 489 | E | 83.3 | Confident | 84.7 | Confident | 154 Ų | 154 | 41 Ų | 41 | 72% | 0.72 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.2 | 178.1 | -57.5 | 78.7 | -171.8 | 0 | 0 | 112.4 | S487 C491 | S487-E489 PolarHBondContact O-N 3.19Å; S487-E489 PolarHBondContact OG-N 2.7Å; S487-E489 PolarHBondContact OG-OE2 2.75Å; E489-C491 PolarHBondContact O-N 3.38Å |
| 490 | D | 85.7 | Confident | 85 | Confident | 104 Ų | 104 | 39.7 Ų | 39.7 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.2 | 177.9 | -75.4 | -19.2 | 0 | 0 | 0 | 113.2 | S487 I488 N492 | S487-D490 PolarHBondContact O-N 2.87Å; I488-D490 VanDerWaalsContact C-N 3.3Å; I488-D490 PolarHBondContact O-N 3.37Å; D490-N492 PolarHBondContact O-N 2.92Å |
| 491 | C | 88.9 | Confident | 85 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -66.8 | 125.6 | -178 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | A419 S480 I488 E489 Y493 | A419-C491 WeakPolarHBondContact CB-O 3.33Å; S480-C491 WeakPolarHBondContact OG-CA 3.35Å; S480-C491 WeakPolarHBondContact OG-CB 3.36Å; S480-C491 PolarHBondContact OG-N 3.07Å; I488-C491 WeakPolarHBondContact O-CB 3.06Å; I488-C491 PolarHBondContact O-N 2.79Å; E489-C491 PolarHBondContact O-N 3.38Å; C491-Y493 PolarHBondContact O-N 3.09Å; C491-Y493 PolarHBondContact SG-O 2.85Å | ||
| 492 | N | 89.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -75.7 | -9.4 | -179.8 | -69.7 | -43.4 | 0 | 0 | 0 | 114.4 | A419 T477 I478 D490 | A419-N492 WeakPolarHBondContact CA-O 3.47Å; T477-N492 PolarHBondContact O-ND2 2.8Å; I478-N492 WeakPolarHBondContact O-CB 3.32Å; I478-N492 PolarHBondContact O-N 3.26Å; I478-N492 PolarHBondContact O-ND2 2.74Å; D490-N492 PolarHBondContact O-N 2.92Å |
| 493 | Y | 93.6 | Very high | 84.5 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | trans | -134.9 | 149.4 | -172.4 | -53.3 | -80.9 | 0 | 0 | 0 | 111.7 | A419 N422 L424 A446 T477 C491 K529 | A419-Y493 CarbonylContact O-C 3.46Å; N422-Y493 HydrophobicContact CB-CD1 3.76Å; N422-Y493 HydrophobicContact CB-CE1 4.33Å; L424-Y493 HydrophobicContact CB-CD1 3.77Å; L424-Y493 HydrophobicContact CB-CD2 3.84Å; L424-Y493 HydrophobicContact CB-CE1 3.94Å; L424-Y493 HydrophobicContact CB-CE2 3.97Å; L424-Y493 HydrophobicContact CB-CG 3.74Å; L424-Y493 HydrophobicContact CD1-CE2 4.44Å; L424-Y493 HydrophobicContact CD2-CD2 4.1Å; L424-Y493 HydrophobicContact CD2-CE2 3.9Å; L424-Y493 HydrophobicContact CG-CE2 4.33Å; A446-Y493 HydrophobicContact CB-CE1 3.72Å; T477-Y493 HydrophobicContact CG2-CE2 3.9Å; T477-Y493 VanDerWaalsContact O-CE2 3.23Å; T477-Y493 WeakPolarHBondContact O-CE2 3.3Å; C491-Y493 PolarHBondContact O-N 3.09Å; C491-Y493 PolarHBondContact SG-O 2.85Å; Y493-K529 PolarHBondContact O-NZ 2.89Å | ||
| 494 | D | 93.6 | Very high | 84.5 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.6 | -38.7 | 170.3 | -169 | 62.2 | 0 | 0 | 0 | 110.8 | A419 N422 K529 | A419-D494 PolarHBondContact O-N 3.37Å; N422-D494 PolarHBondContact O-N 3.45Å; D494-K529 WeakPolarHBondContact O-CB 3.5Å; D494-K529 WeakPolarHBondContact O-CG 3.25Å |
| 495 | K | 95.1 | Very high | 85.3 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 15% | 0.148 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.4 | 179 | -52 | -175.2 | -177.9 | 168.1 | 0 | 111.3 | E423 L424 I497 Y531 | E423-K495 CarbonylContact C-O 3.54Å; E423-K495 WeakPolarHBondContact CA-O 3.48Å; E423-K495 HydrophobicContact CG-CB 4.17Å; E423-K495 HydrophobicContact CG-CD 4.44Å; E423-K495 HydrophobicContact CG-CG 4.5Å; E423-K495 IonicContact OE1-NZ 3.15Å; L424-K495 PolarHBondContact N-O 3.43Å; K495-I497 HydrophobicContact CB-CD1 4.24Å; K495-I497 HydrophobicContact CB-CG1 4.02Å; K495-Y531 HydrophobicContact CB-CD2 3.74Å; K495-Y531 HydrophobicContact CB-CE2 3.76Å; K495-Y531 HydrophobicContact CD-CD2 4.39Å; K495-Y531 HydrophobicContact CD-CE2 4.06Å; K495-Y531 HydrophobicContact CG-CD2 4.02Å; K495-Y531 HydrophobicContact CG-CE2 3.56Å |
| 496 | V | 96.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 107.3 | 166.8 | -179.8 | 0 | 0 | 0 | 0 | 107 | L424 L426 I478 F517 L524 K529 V530 Y531 | L424-V496 HydrophobicContact CD2-CG1 4.37Å; L424-V496 CarbonylContact O-C 3.58Å; L426-V496 HydrophobicContact CD1-CG1 4.22Å; L426-V496 HydrophobicContact CG-CG1 4.4Å; I478-V496 HydrophobicContact CD1-CG1 4.49Å; I478-V496 HydrophobicContact CG1-CG2 4.4Å; V496-F517 HydrophobicContact CG1-CE2 4.44Å; V496-F517 HydrophobicContact CG1-CZ 3.89Å; V496-L524 HydrophobicContact CG2-CD2 4.23Å; V496-K529 PolarHBondContact N-O 3.07Å; V496-V530 WeakPolarHBondContact O-CA 3.47Å; V496-Y531 PolarHBondContact O-N 3.18Å |
| 497 | I | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.6 | -170.6 | -55.1 | 168.6 | 0 | 0 | 0 | 108.8 | E423 L424 F425 L426 K495 Y531 A533 L598 | E423-I497 HydrophobicContact CB-CD1 4.27Å; L424-I497 PolarHBondContact O-N 2.85Å; F425-I497 CarbonylContact C-O 3.57Å; F425-I497 VanDerWaalsContact CA-O 3.31Å; F425-I497 WeakPolarHBondContact CA-O 3.5Å; F425-I497 HydrophobicContact CD1-CB 4.04Å; F425-I497 HydrophobicContact CD1-CD1 4.5Å; F425-I497 HydrophobicContact CD1-CG2 3.9Å; F425-I497 HydrophobicContact CD2-CD1 4.45Å; F425-I497 HydrophobicContact CE1-CB 4.14Å; F425-I497 HydrophobicContact CE1-CD1 3.9Å; F425-I497 HydrophobicContact CE1-CG2 3.78Å; F425-I497 HydrophobicContact CE2-CD1 3.82Å; F425-I497 HydrophobicContact CG-CB 4.41Å; F425-I497 HydrophobicContact CZ-CD1 3.53Å; L426-I497 PolarHBondContact N-O 3.27Å; K495-I497 HydrophobicContact CB-CD1 4.24Å; K495-I497 HydrophobicContact CB-CG1 4.02Å; I497-Y531 CarbonylContact C-O 3.54Å; I497-Y531 WeakPolarHBondContact CA-O 3.04Å; I497-A533 HydrophobicContact CG2-CB 3.7Å; I497-L598 HydrophobicContact CD1-CD1 4.23Å; I497-L598 HydrophobicContact CG2-CD2 3.94Å |
| 498 | I | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122 | 171 | -55.9 | 171.4 | 0 | 0 | 0 | 107.8 | T500 Q510 L513 L514 F517 V530 Y531 I532 A533 | I498-T500 HydrophobicContact CG2-CG2 3.74Å; I498-Q510 HydrophobicContact CG2-CG 3.95Å; I498-L513 HydrophobicContact CB-CD1 4.47Å; I498-L513 HydrophobicContact CD1-CB 3.86Å; I498-L513 HydrophobicContact CD1-CD1 4.21Å; I498-L513 HydrophobicContact CG1-CD1 4.09Å; I498-L513 HydrophobicContact CG2-CD1 3.65Å; I498-L514 HydrophobicContact CD1-CD2 4.04Å; I498-L514 HydrophobicContact CD1-CG 4.28Å; I498-F517 HydrophobicContact CD1-CD2 4.45Å; I498-F517 HydrophobicContact CD1-CE2 4.03Å; I498-F517 HydrophobicContact CG1-CE2 4.26Å; I498-V530 HydrophobicContact CD1-CG1 4.42Å; I498-Y531 PolarHBondContact N-O 3.24Å; I498-I532 HydrophobicContact CB-CG1 4.3Å; I498-I532 HydrophobicContact CD1-CG1 4.34Å; I498-I532 CarbonylContact O-C 3.46Å; I498-I532 WeakPolarHBondContact O-CA 3.44Å; I498-A533 PolarHBondContact O-N 2.97Å |
| 499 | M | 93 | Very high | 87 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 96.2 | 179.9 | -171.9 | 171.3 | 70.6 | 0 | 0 | 108.8 | F425 L426 V427 E428 A436 A533 L578 L586 M591 | F425-M499 HydrophobicContact CD1-CB 4.16Å; F425-M499 HydrophobicContact CD1-CE 4.13Å; F425-M499 HydrophobicContact CD1-SD 3.87Å; F425-M499 HydrophobicContact CE1-SD 4.18Å; L426-M499 PolarHBondContact O-N 2.95Å; V427-M499 WeakPolarHBondContact CA-O 3.41Å; V427-M499 HydrophobicContact CB-CE 4.36Å; V427-M499 HydrophobicContact CG1-CE 3.93Å; V427-M499 HydrophobicContact CG2-CE 3.55Å; E428-M499 PolarHBondContact N-O 3.4Å; E428-M499 VanDerWaalsContact N-O 3.1Å; A436-M499 HydrophobicContact CB-CE 3.77Å; M499-A533 HydrophobicContact CB-CB 4.16Å; M499-A533 HydrophobicContact CG-CB 4.08Å; M499-L578 HydrophobicContact CG-CD1 3.71Å; M499-L578 HydrophobicContact CG-CD2 4.36Å; M499-L578 WeakPolarHBondContact O-CD1 3.2Å; M499-L586 HydrophobicContact CE-CD2 4.14Å; M499-L586 HydrophobicContact SD-CD1 4.35Å; M499-M591 HydrophobicContact SD-CG 4.31Å |
| 500 | T | 89.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | trans | -113.9 | 168.7 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | E428 I498 G506 I509 Q510 L578 | E428-T500 HydrophobicContact CB-CG2 4.29Å; E428-T500 VanDerWaalsContact OE2-CB 3.32Å; E428-T500 WeakPolarHBondContact OE2-CB 3.45Å; I498-T500 HydrophobicContact CG2-CG2 3.74Å; T500-G506 PolarHBondContact OG1-O 3.45Å; T500-I509 HydrophobicContact CG2-CB 4.06Å; T500-I509 HydrophobicContact CG2-CG2 3.75Å; T500-Q510 HydrophobicContact CG2-CG 4Å; T500-Q510 WeakPolarHBondContact OG1-CG 3.38Å; T500-Q510 PolarHBondContact OG1-NE2 3.49Å; T500-L578 VanDerWaalsContact C-CD1 3.42Å; T500-L578 WeakPolarHBondContact O-CD1 3.36Å | ||
| 501 | D | 82.7 | Confident | 87.8 | Confident | 31 Ų | 31 | 19.5 Ų | 19.5 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | trans | -59.9 | 154.4 | 173.6 | -70.1 | -6.8 | 0 | 0 | 0 | 110.4 | E428 D503 G577 L578 | E428-D501 WeakPolarHBondContact OE2-CB 3.46Å; E428-D501 PolarHBondContact OE2-N 2.94Å; D501-D503 PolarHBondContact O-N 3.5Å; D501-G577 WeakPolarHBondContact OD2-CA 3.41Å; D501-L578 VanDerWaalsContact OD1-CB 3.29Å; D501-L578 WeakPolarHBondContact OD1-CB 3.38Å; D501-L578 VanDerWaalsContact OD1-CG 3.3Å; D501-L578 WeakPolarHBondContact OD1-CG 3.32Å; D501-L578 PolarHBondContact OD1-N 3.4Å | ||
| 502 | A | 71.6 | Confident | 88 | Confident | 44 Ų | 44 | 19.4 Ų | 19.4 | 36% | 0.364 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -79.7 | 11.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P535 L537 K576 | A502-P535 HydrophobicContact CB-CG 4.22Å; A502-L537 HydrophobicContact CB-CD2 3.62Å; A502-K576 PolarHBondContact N-O 3.43Å |
| 503 | D | 74.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 15.8 Ų | 15.8 | 28% | 0.278 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -98.3 | -176.9 | -179 | 76.7 | 10.8 | 0 | 0 | 0 | 112.5 | D501 D505 G506 A507 | D501-D503 PolarHBondContact O-N 3.5Å; D503-D505 VanDerWaalsContact C-N 3.34Å; D503-D505 WeakPolarHBondContact OD1-CA 3.26Å; D503-D505 PolarHBondContact OD1-N 2.88Å; D503-G506 PolarHBondContact O-N 2.64Å; D503-G506 PolarHBondContact OD1-N 3.33Å; D503-A507 PolarHBondContact O-N 3.43Å; D503-A507 VanDerWaalsContact O-N 3.09Å |
| 504 | T | 71.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 15.1 Ų | 15.1 | 18% | 0.184 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72 | -25.4 | -177.9 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | H508 Y692 | T504-H508 PolarHBondContact O-N 3.19Å; T504-Y692 VanDerWaalsContact CG2-CB 3.46Å; T504-Y692 HydrophobicContact CG2-CD1 4.12Å; T504-Y692 HydrophobicContact CG2-CD2 4.04Å; T504-Y692 HydrophobicContact CG2-CG 3.6Å; T504-Y692 WeakPolarHBondContact OG1-CD1 3.32Å; T504-Y692 WeakPolarHBondContact OG1-CE1 3.21Å |
| 505 | D | 80.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 12.3 Ų | 12.3 | 12% | 0.123 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -76 | -39.3 | 177.1 | -82.3 | -36.7 | 0 | 0 | 0 | 109.9 | K453 D503 H508 I509 R697 H745 | K453-D505 WeakPolarHBondContact CE-OD1 3.35Å; K453-D505 IonicContact NZ-OD1 3.24Å; K453-D505 PolarHBondContact NZ-OD1 3.27Å; D503-D505 VanDerWaalsContact C-N 3.34Å; D503-D505 WeakPolarHBondContact OD1-CA 3.26Å; D503-D505 PolarHBondContact OD1-N 2.88Å; D505-H508 WeakPolarHBondContact O-CB 3.34Å; D505-H508 PolarHBondContact O-N 3.3Å; D505-I509 PolarHBondContact O-N 3.38Å; D505-R697 IonicContact OD1-NH1 3.53Å; D505-H745 IonicContact OD2-ND1 2.78Å |
| 506 | G | 84.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E428 T500 D503 H508 I509 Q510 | E428-G506 WeakPolarHBondContact OE2-CA 3.44Å; T500-G506 PolarHBondContact OG1-O 3.45Å; D503-G506 PolarHBondContact O-N 2.64Å; D503-G506 PolarHBondContact OD1-N 3.33Å; G506-H508 VanDerWaalsContact C-N 3.28Å; G506-H508 PolarHBondContact O-N 2.91Å; G506-I509 PolarHBondContact O-N 2.61Å; G506-I509 VanDerWaalsContact O-N 3.14Å; G506-Q510 WeakPolarHBondContact O-CG 3.25Å; G506-Q510 PolarHBondContact O-N 3.31Å |
| 507 | A | 85.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 10.7 Ų | 10.7 | 5% | 0.05 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.8 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D503 Q510 V511 R685 | D503-A507 PolarHBondContact O-N 3.43Å; D503-A507 VanDerWaalsContact O-N 3.09Å; A507-Q510 WeakPolarHBondContact O-CB 3.47Å; A507-Q510 PolarHBondContact O-N 3.39Å; A507-V511 WeakPolarHBondContact O-CG2 3.41Å; A507-V511 PolarHBondContact O-N 3.1Å; A507-V511 VanDerWaalsContact O-N 3.15Å; A507-R685 HydrophobicContact CB-CB 4.21Å |
| 508 | H | 87.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 11.2 Ų | 11.2 | 12% | 0.12 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 176.6 | -174 | -138.5 | 0 | 0 | 0 | 113 | K453 T504 D505 G506 Q510 V511 L512 Y689 | K453-H508 WeakPolarHBondContact CD-ND1 3.35Å; T504-H508 PolarHBondContact O-N 3.19Å; D505-H508 WeakPolarHBondContact O-CB 3.34Å; D505-H508 PolarHBondContact O-N 3.3Å; G506-H508 VanDerWaalsContact C-N 3.28Å; G506-H508 PolarHBondContact O-N 2.91Å; H508-Q510 VanDerWaalsContact C-N 3.3Å; H508-Q510 PolarHBondContact O-N 3.36Å; H508-V511 PolarHBondContact O-N 3.44Å; H508-L512 VanDerWaalsContact O-CG 3.29Å; H508-L512 WeakPolarHBondContact O-CG 3.41Å; H508-L512 PolarHBondContact O-N 3.08Å; H508-Y689 HydrophobicContact CB-CD1 4.19Å; H508-Y689 HydrophobicContact CB-CD2 3.49Å; H508-Y689 VanDerWaalsContact CB-CD2 3.49Å; H508-Y689 HydrophobicContact CB-CE1 4.43Å; H508-Y689 HydrophobicContact CB-CE2 3.76Å; H508-Y689 HydrophobicContact CB-CG 3.71Å; H508-Y689 AromaticContact CD2-CD1 3.68Å; H508-Y689 AromaticContact CD2-CE1 3.5Å; H508-Y689 VanDerWaalsContact CD2-CE1 3.5Å; H508-Y689 WeakPolarHBondContact CD2-CE1 3.3Å; H508-Y689 AromaticContact CD2-CZ 3.81Å; H508-Y689 AromaticContact CE1-CE1 4Å; H508-Y689 AromaticContact CE1-CZ 3.69Å; H508-Y689 AromaticContact CG-CD1 3.94Å; H508-Y689 AromaticContact CG-CD2 3.83Å; H508-Y689 AromaticContact CG-CE1 3.78Å; H508-Y689 AromaticContact CG-CE2 3.64Å; H508-Y689 AromaticContact CG-CG 3.95Å; H508-Y689 AromaticContact CG-CZ 3.63Å; H508-Y689 AromaticContact ND1-CE2 3.7Å; H508-Y689 AromaticContact ND1-CZ 3.57Å; H508-Y689 AromaticContact NE2-CE1 3.67Å; H508-Y689 AromaticContact NE2-CZ 3.86Å |
| 509 | I | 89.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.4 | -70.1 | 168 | 0 | 0 | 0 | 110.7 | E428 K453 T500 D505 G506 V511 L512 L513 | E428-I509 VanDerWaalsContact CD-CD1 3.43Å; E428-I509 HydrophobicContact CG-CD1 3.73Å; E428-I509 WeakPolarHBondContact OE1-CD1 3.31Å; K453-I509 HydrophobicContact CG-CG1 4.24Å; T500-I509 HydrophobicContact CG2-CB 4.06Å; T500-I509 HydrophobicContact CG2-CG2 3.75Å; D505-I509 PolarHBondContact O-N 3.38Å; G506-I509 PolarHBondContact O-N 2.61Å; G506-I509 VanDerWaalsContact O-N 3.14Å; I509-V511 PolarHBondContact O-N 3.03Å; I509-L512 PolarHBondContact O-N 3.44Å; I509-L513 HydrophobicContact CG2-CD1 3.84Å; I509-L513 HydrophobicContact CG2-CG 4.26Å; I509-L513 WeakPolarHBondContact O-CB 3.44Å; I509-L513 WeakPolarHBondContact O-CG 3.48Å; I509-L513 PolarHBondContact O-N 3.2Å |
| 510 | Q | 92.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.3 | -51.4 | 172.8 | -67.5 | 177.2 | 10 | 0 | 0 | 110.8 | I498 T500 G506 A507 H508 L512 L513 L514 I532 | I498-Q510 HydrophobicContact CG2-CG 3.95Å; T500-Q510 HydrophobicContact CG2-CG 4Å; T500-Q510 WeakPolarHBondContact OG1-CG 3.38Å; T500-Q510 PolarHBondContact OG1-NE2 3.49Å; G506-Q510 WeakPolarHBondContact O-CG 3.25Å; G506-Q510 PolarHBondContact O-N 3.31Å; A507-Q510 WeakPolarHBondContact O-CB 3.47Å; A507-Q510 PolarHBondContact O-N 3.39Å; H508-Q510 VanDerWaalsContact C-N 3.3Å; H508-Q510 PolarHBondContact O-N 3.36Å; Q510-L512 VanDerWaalsContact C-N 3.32Å; Q510-L512 PolarHBondContact O-N 2.84Å; Q510-L513 PolarHBondContact O-N 3.23Å; Q510-L514 WeakPolarHBondContact O-CB 3.44Å; Q510-L514 WeakPolarHBondContact O-CG 3.37Å; Q510-L514 PolarHBondContact O-N 3.26Å; Q510-I532 HydrophobicContact CG-CG2 4.49Å |
| 511 | V | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | A507 H508 I509 L514 T515 M617 M682 R685 F686 | A507-V511 WeakPolarHBondContact O-CG2 3.41Å; A507-V511 PolarHBondContact O-N 3.1Å; A507-V511 VanDerWaalsContact O-N 3.15Å; H508-V511 PolarHBondContact O-N 3.44Å; I509-V511 PolarHBondContact O-N 3.03Å; V511-L514 PolarHBondContact O-N 3.4Å; V511-T515 WeakPolarHBondContact O-CB 3.26Å; V511-T515 PolarHBondContact O-N 2.65Å; V511-T515 PolarHBondContact O-OG1 3.25Å; V511-M617 HydrophobicContact CG1-CE 3.78Å; V511-M617 HydrophobicContact CG1-CG 4.11Å; V511-M617 HydrophobicContact CG1-SD 3.38Å; V511-M617 WeakPolarHBondContact CG1-SD 3.41Å; V511-M682 HydrophobicContact CB-SD 4.33Å; V511-M682 HydrophobicContact CG1-CE 3.86Å; V511-M682 HydrophobicContact CG1-SD 3.7Å; V511-R685 HydrophobicContact CG2-CB 3.52Å; V511-F686 HydrophobicContact CG1-CD2 4.22Å; V511-F686 HydrophobicContact CG2-CB 4.19Å |
| 512 | L | 93.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 179.5 | -70 | 162.4 | 0 | 0 | 0 | 112.6 | K453 V454 N456 H508 I509 Q510 F516 M617 | K453-L512 HydrophobicContact CB-CD1 4.13Å; V454-L512 HydrophobicContact CB-CB 4.18Å; V454-L512 VanDerWaalsContact O-CD1 3.3Å; V454-L512 WeakPolarHBondContact O-CD1 3.49Å; N456-L512 HydrophobicContact CB-CD2 3.67Å; H508-L512 VanDerWaalsContact O-CG 3.29Å; H508-L512 WeakPolarHBondContact O-CG 3.41Å; H508-L512 PolarHBondContact O-N 3.08Å; I509-L512 PolarHBondContact O-N 3.44Å; Q510-L512 VanDerWaalsContact C-N 3.32Å; Q510-L512 PolarHBondContact O-N 2.84Å; L512-F516 PolarHBondContact O-N 3.43Å; L512-M617 HydrophobicContact CD2-CE 3.56Å; L512-M617 HydrophobicContact CG-CE 4.21Å |
| 513 | L | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68 | -44 | 176.6 | -74 | 172.8 | 0 | 0 | 0 | 111.7 | L426 L450 V454 M474 I498 I509 Q510 T515 F516 F517 | L426-L513 HydrophobicContact CD1-CD1 4.28Å; L426-L513 HydrophobicContact CD1-CD2 4.2Å; L450-L513 HydrophobicContact CD1-CD1 3.81Å; L450-L513 HydrophobicContact CD1-CD2 3.97Å; L450-L513 HydrophobicContact CD1-CG 4.36Å; V454-L513 HydrophobicContact CG2-CD2 3.88Å; V454-L513 HydrophobicContact CG2-CG 4.26Å; M474-L513 HydrophobicContact CE-CD2 3.87Å; M474-L513 HydrophobicContact SD-CD2 3.56Å; M474-L513 VanDerWaalsContact SD-CD2 3.56Å; I498-L513 HydrophobicContact CB-CD1 4.47Å; I498-L513 HydrophobicContact CD1-CB 3.86Å; I498-L513 HydrophobicContact CD1-CD1 4.21Å; I498-L513 HydrophobicContact CG1-CD1 4.09Å; I498-L513 HydrophobicContact CG2-CD1 3.65Å; I509-L513 HydrophobicContact CG2-CD1 3.84Å; I509-L513 HydrophobicContact CG2-CG 4.26Å; I509-L513 WeakPolarHBondContact O-CB 3.44Å; I509-L513 WeakPolarHBondContact O-CG 3.48Å; I509-L513 PolarHBondContact O-N 3.2Å; Q510-L513 PolarHBondContact O-N 3.23Å; L513-T515 VanDerWaalsContact C-N 3.3Å; L513-T515 PolarHBondContact O-N 3.15Å; L513-F516 WeakPolarHBondContact O-CB 3.43Å; L513-F516 PolarHBondContact O-N 3.19Å; L513-F516 VanDerWaalsContact O-N 3.16Å; L513-F517 HydrophobicContact CB-CE2 4.27Å; L513-F517 WeakPolarHBondContact O-CD2 3.29Å; L513-F517 WeakPolarHBondContact O-CG 2.95Å; L513-F517 PolarHBondContact O-N 3.48Å |
| 514 | L | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 175.7 | -71.1 | 177.5 | 0 | 0 | 0 | 111.7 | I498 Q510 V511 F517 Y518 V530 I532 V601 L678 V681 M682 | I498-L514 HydrophobicContact CD1-CD2 4.04Å; I498-L514 HydrophobicContact CD1-CG 4.28Å; Q510-L514 WeakPolarHBondContact O-CB 3.44Å; Q510-L514 WeakPolarHBondContact O-CG 3.37Å; Q510-L514 PolarHBondContact O-N 3.26Å; V511-L514 PolarHBondContact O-N 3.4Å; L514-F517 PolarHBondContact O-N 2.9Å; L514-Y518 VanDerWaalsContact O-CB 3.25Å; L514-Y518 WeakPolarHBondContact O-CB 3.26Å; L514-Y518 PolarHBondContact O-N 3.45Å; L514-V530 HydrophobicContact CD2-CG1 4.08Å; L514-I532 HydrophobicContact CD1-CD1 4.27Å; L514-V601 HydrophobicContact CD2-CB 4.41Å; L514-V601 HydrophobicContact CD2-CG1 4.17Å; L514-V601 HydrophobicContact CD2-CG2 4.01Å; L514-L678 HydrophobicContact CB-CD1 3.86Å; L514-L678 HydrophobicContact CD1-CD1 4.18Å; L514-L678 HydrophobicContact CD2-CD1 4.18Å; L514-L678 HydrophobicContact CG-CD1 4.3Å; L514-V681 HydrophobicContact CD1-CB 4.35Å; L514-V681 HydrophobicContact CD1-CG1 3.6Å; L514-M682 HydrophobicContact CB-SD 4.02Å; L514-M682 HydrophobicContact CD1-CG 4.46Å |
| 515 | T | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | E458 V511 L513 Y518 R519 V613 M617 | E458-T515 HydrophobicContact CB-CG2 3.95Å; V511-T515 WeakPolarHBondContact O-CB 3.26Å; V511-T515 PolarHBondContact O-N 2.65Å; V511-T515 PolarHBondContact O-OG1 3.25Å; L513-T515 VanDerWaalsContact C-N 3.3Å; L513-T515 PolarHBondContact O-N 3.15Å; T515-Y518 PolarHBondContact O-N 2.88Å; T515-R519 HydrophobicContact CG2-CG 4.42Å; T515-R519 WeakPolarHBondContact O-CB 3.4Å; T515-R519 VanDerWaalsContact O-CG 3.31Å; T515-R519 WeakPolarHBondContact O-CG 3.38Å; T515-R519 PolarHBondContact O-N 3.05Å; T515-V613 HydrophobicContact CG2-CG1 4.04Å; T515-M617 HydrophobicContact CG2-CB 4.25Å; T515-M617 HydrophobicContact CG2-CG 4.36Å; T515-M617 WeakPolarHBondContact OG1-CG 3.38Å |
| 516 | F | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 176.1 | 167.7 | -108 | 0 | 0 | 0 | 112.2 | T457 I471 M474 I475 V482 L512 L513 Y518 R519 Y520 M521 | T457-F516 HydrophobicContact CG2-CB 4.12Å; T457-F516 HydrophobicContact CG2-CD2 3.95Å; T457-F516 HydrophobicContact CG2-CG 4.47Å; T457-F516 WeakPolarHBondContact OG1-CA 3.32Å; T457-F516 PolarHBondContact OG1-N 2.97Å; I471-F516 HydrophobicContact CD1-CD2 3.92Å; I471-F516 HydrophobicContact CD1-CE2 4.21Å; I471-F516 HydrophobicContact CD1-CG 4.1Å; I471-F516 HydrophobicContact CG2-CD2 4.32Å; I471-F516 HydrophobicContact CG2-CE2 3.62Å; I471-F516 HydrophobicContact CG2-CZ 3.98Å; M474-F516 HydrophobicContact CE-CD1 3.57Å; M474-F516 HydrophobicContact CE-CE1 3.58Å; M474-F516 HydrophobicContact CE-CG 4.3Å; M474-F516 HydrophobicContact CE-CZ 4.32Å; I475-F516 HydrophobicContact CD1-CE2 4.43Å; I475-F516 HydrophobicContact CD1-CZ 4.19Å; I475-F516 HydrophobicContact CG1-CE2 4.47Å; I475-F516 HydrophobicContact CG1-CZ 3.76Å; V482-F516 HydrophobicContact CG1-CZ 4.39Å; L512-F516 PolarHBondContact O-N 3.43Å; L513-F516 WeakPolarHBondContact O-CB 3.43Å; L513-F516 PolarHBondContact O-N 3.19Å; L513-F516 VanDerWaalsContact O-N 3.16Å; F516-Y518 PolarHBondContact O-N 3.15Å; F516-R519 PolarHBondContact O-N 2.89Å; F516-Y520 AromaticContact CD2-CD2 3.56Å; F516-Y520 HydrophobicContact CD2-CD2 3.56Å; F516-Y520 HydrophobicContact CD2-CE2 4.45Å; F516-Y520 HydrophobicContact CD2-CG 4.09Å; F516-Y520 AromaticContact CE2-CD2 3.94Å; F516-Y520 HydrophobicContact CE2-CD2 3.94Å; F516-Y520 AromaticContact CE2-CG 4Å; F516-Y520 HydrophobicContact CE2-CG 4Å; F516-Y520 WeakPolarHBondContact O-CB 3.44Å; F516-Y520 WeakPolarHBondContact O-CD2 3.26Å; F516-Y520 PolarHBondContact O-N 3.42Å; F516-M521 HydrophobicContact CE1-CE 4.14Å; F516-M521 HydrophobicContact CE1-SD 4.16Å; F516-M521 HydrophobicContact CZ-CE 4.01Å; F516-M521 HydrophobicContact CZ-SD 4.48Å |
| 517 | F | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 178.2 | -67 | -44.8 | 0 | 0 | 0 | 111.8 | L426 I478 V496 I498 L513 L514 R519 M521 K522 L524 I525 V530 | L426-F517 HydrophobicContact CD1-CE2 4.19Å; L426-F517 HydrophobicContact CD1-CZ 3.67Å; I478-F517 HydrophobicContact CD1-CE1 3.7Å; I478-F517 HydrophobicContact CD1-CZ 4.35Å; V496-F517 HydrophobicContact CG1-CE2 4.44Å; V496-F517 HydrophobicContact CG1-CZ 3.89Å; I498-F517 HydrophobicContact CD1-CD2 4.45Å; I498-F517 HydrophobicContact CD1-CE2 4.03Å; I498-F517 HydrophobicContact CG1-CE2 4.26Å; L513-F517 HydrophobicContact CB-CE2 4.27Å; L513-F517 WeakPolarHBondContact O-CD2 3.29Å; L513-F517 WeakPolarHBondContact O-CG 2.95Å; L513-F517 PolarHBondContact O-N 3.48Å; L514-F517 PolarHBondContact O-N 2.9Å; F517-R519 PolarHBondContact O-N 2.93Å; F517-M521 HydrophobicContact CD1-CB 4.27Å; F517-M521 HydrophobicContact CD1-CG 4.48Å; F517-M521 HydrophobicContact CD1-SD 3.89Å; F517-M521 HydrophobicContact CE1-SD 4.05Å; F517-M521 CarbonylContact O-C 3.1Å; F517-M521 WeakPolarHBondContact O-CA 3.41Å; F517-M521 PolarHBondContact O-N 2.94Å; F517-K522 PolarHBondContact O-N 2.99Å; F517-L524 HydrophobicContact CD1-CD2 4.13Å; F517-L524 HydrophobicContact CE1-CD2 4.27Å; F517-I525 HydrophobicContact CB-CD1 3.86Å; F517-I525 HydrophobicContact CB-CG1 4.12Å; F517-V530 HydrophobicContact CD2-CG1 3.97Å; F517-V530 HydrophobicContact CD2-CG2 4.33Å; F517-V530 HydrophobicContact CE2-CG1 4.23Å; F517-V530 HydrophobicContact CG-CG2 4.46Å |
| 518 | Y | 92.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.5 | 178.9 | -104.5 | 0 | 0 | 0 | 112.3 | L514 T515 F516 K522 I603 A606 A609 E610 V613 L678 | L514-Y518 VanDerWaalsContact O-CB 3.25Å; L514-Y518 WeakPolarHBondContact O-CB 3.26Å; L514-Y518 PolarHBondContact O-N 3.45Å; T515-Y518 PolarHBondContact O-N 2.88Å; F516-Y518 PolarHBondContact O-N 3.15Å; Y518-K522 HydrophobicContact CD2-CG 4.45Å; Y518-K522 HydrophobicContact CE2-CD 4.29Å; Y518-K522 WeakPolarHBondContact O-CB 3.29Å; Y518-I603 HydrophobicContact CD2-CD1 3.81Å; Y518-I603 HydrophobicContact CE2-CD1 3.99Å; Y518-A606 PolarHBondContact OH-O 2.9Å; Y518-A609 HydrophobicContact CE2-CB 3.91Å; Y518-E610 WeakPolarHBondContact CE1-OE2 3.33Å; Y518-E610 WeakPolarHBondContact OH-CA 3.34Å; Y518-E610 WeakPolarHBondContact OH-CB 3.5Å; Y518-E610 PolarHBondContact OH-N 2.96Å; Y518-E610 PolarHBondContact OH-OE2 2.89Å; Y518-V613 HydrophobicContact CD1-CB 4.14Å; Y518-V613 HydrophobicContact CD1-CG1 4.08Å; Y518-V613 HydrophobicContact CD1-CG2 3.73Å; Y518-V613 HydrophobicContact CE1-CB 4.25Å; Y518-V613 HydrophobicContact CE1-CG1 4.47Å; Y518-V613 HydrophobicContact CE1-CG2 4.11Å; Y518-V613 HydrophobicContact CG-CG2 4.21Å; Y518-L678 HydrophobicContact CD2-CD2 3.33Å; Y518-L678 HydrophobicContact CE2-CD2 4.07Å; Y518-L678 HydrophobicContact CG-CD2 3.71Å |
| 519 | R | 85.9 | Confident | 91.2 | Very high | 46 Ų | 46 | 20 Ų | 20 | 17% | 0.174 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -76.4 | -35.2 | -178.2 | -68.1 | -53.5 | -173.2 | -174.9 | 6.2 | 114.5 | E458 T515 F516 F517 E610 T614 | E458-R519 VanDerWaalsContact CD-NH2 3.28Å; E458-R519 IonicContact OE1-CZ 3.85Å; E458-R519 IonicContact OE1-NE 3.33Å; E458-R519 IonicContact OE1-NH2 2.72Å; E458-R519 PolarHBondContact OE1-NH2 3.48Å; E458-R519 IonicContact OE2-CZ 2.82Å; E458-R519 IonicContact OE2-NE 3.82Å; E458-R519 PolarHBondContact OE2-NE 3.44Å; E458-R519 IonicContact OE2-NH2 3.76Å; E458-R519 PolarHBondContact OE2-NH2 2.99Å; T515-R519 HydrophobicContact CG2-CG 4.42Å; T515-R519 WeakPolarHBondContact O-CB 3.4Å; T515-R519 VanDerWaalsContact O-CG 3.31Å; T515-R519 WeakPolarHBondContact O-CG 3.38Å; T515-R519 PolarHBondContact O-N 3.05Å; F516-R519 PolarHBondContact O-N 2.89Å; F517-R519 PolarHBondContact O-N 2.93Å; R519-E610 IonicContact CZ-OE1 3.69Å; R519-E610 IonicContact CZ-OE2 2.93Å; R519-E610 IonicContact NH1-OE1 3.21Å; R519-E610 PolarHBondContact NH1-OE1 3.32Å; R519-E610 IonicContact NH1-OE2 3.73Å; R519-E610 PolarHBondContact NH1-OE2 3.48Å; R519-E610 IonicContact NH2-OE1 3.69Å; R519-E610 PolarHBondContact NH2-OE1 3.36Å; R519-E610 VanDerWaalsContact NH2-OE1 3.07Å; R519-E610 IonicContact NH2-OE2 2.73Å; R519-T614 PolarHBondContact NH2-OG1 3.49Å |
| 520 | Y | 87.6 | Confident | 91.5 | Very high | 34 Ų | 34 | 20 Ų | 20 | 13% | 0.133 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -120.3 | -14 | -168.1 | -64.2 | -76.9 | 0 | 0 | 0 | 114.2 | T457 M462 I465 V482 G483 F516 | T457-Y520 HydrophobicContact CG2-CE2 4.36Å; M462-Y520 HydrophobicContact CE-CE1 3.59Å; M462-Y520 HydrophobicContact SD-CE1 4.02Å; I465-Y520 HydrophobicContact CD1-CE2 3.97Å; I465-Y520 WeakPolarHBondContact CD1-OH 3.42Å; V482-Y520 CarbonylContact C-O 3.59Å; V482-Y520 WeakPolarHBondContact CA-O 3.44Å; V482-Y520 WeakPolarHBondContact CB-O 3.46Å; G483-Y520 PolarHBondContact N-O 3.31Å; F516-Y520 AromaticContact CD2-CD2 3.56Å; F516-Y520 HydrophobicContact CD2-CD2 3.56Å; F516-Y520 HydrophobicContact CD2-CE2 4.45Å; F516-Y520 HydrophobicContact CD2-CG 4.09Å; F516-Y520 AromaticContact CE2-CD2 3.94Å; F516-Y520 HydrophobicContact CE2-CD2 3.94Å; F516-Y520 AromaticContact CE2-CG 4Å; F516-Y520 HydrophobicContact CE2-CG 4Å; F516-Y520 WeakPolarHBondContact O-CB 3.44Å; F516-Y520 WeakPolarHBondContact O-CD2 3.26Å; F516-Y520 PolarHBondContact O-N 3.42Å |
| 521 | M | 89.1 | Confident | 91.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -141.7 | 34.9 | -177.5 | -59.8 | -171.9 | 170.7 | 0 | 0 | 111.4 | I475 I478 G481 V482 F486 F516 F517 P523 L524 | I475-M521 HydrophobicContact CB-CE 4.33Å; I475-M521 HydrophobicContact CG1-CE 3.9Å; I478-M521 HydrophobicContact CB-CE 4.4Å; I478-M521 HydrophobicContact CD1-CE 3.99Å; I478-M521 HydrophobicContact CD1-SD 3.64Å; I478-M521 HydrophobicContact CG2-SD 4.34Å; G481-M521 WeakPolarHBondContact O-CE 3.44Å; V482-M521 HydrophobicContact CG1-CE 3.53Å; V482-M521 HydrophobicContact CG1-CG 4.02Å; F486-M521 HydrophobicContact CD2-CB 3.93Å; F486-M521 HydrophobicContact CD2-CG 3.81Å; F486-M521 HydrophobicContact CE2-CB 3.55Å; F486-M521 HydrophobicContact CE2-CG 3.61Å; F486-M521 HydrophobicContact CE2-SD 4.08Å; F486-M521 HydrophobicContact CZ-CB 4.31Å; F516-M521 HydrophobicContact CE1-CE 4.14Å; F516-M521 HydrophobicContact CE1-SD 4.16Å; F516-M521 HydrophobicContact CZ-CE 4.01Å; F516-M521 HydrophobicContact CZ-SD 4.48Å; F517-M521 HydrophobicContact CD1-CB 4.27Å; F517-M521 HydrophobicContact CD1-CG 4.48Å; F517-M521 HydrophobicContact CD1-SD 3.89Å; F517-M521 HydrophobicContact CE1-SD 4.05Å; F517-M521 CarbonylContact O-C 3.1Å; F517-M521 WeakPolarHBondContact O-CA 3.41Å; F517-M521 PolarHBondContact O-N 2.94Å; M521-P523 VanDerWaalsContact C-N 3.27Å; M521-P523 VanDerWaalsContact O-N 3.12Å; M521-L524 HydrophobicContact CB-CB 4.12Å; M521-L524 HydrophobicContact CB-CD2 4.41Å; M521-L524 WeakPolarHBondContact O-CA 3.33Å; M521-L524 WeakPolarHBondContact O-CB 3.46Å; M521-L524 PolarHBondContact O-N 2.77Å; M521-L524 HydrophobicContact SD-CD2 4.22Å | ||
| 522 | K | 87.9 | Confident | 91.7 | Very high | 58 Ų | 58 | 20.3 Ų | 20.3 | 25% | 0.252 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -46.7 | -43.6 | -176.3 | -170.4 | 179.5 | 177.6 | -172.6 | 0 | 113.8 | F517 Y518 L524 I525 E526 I603 | F517-K522 PolarHBondContact O-N 2.99Å; Y518-K522 HydrophobicContact CD2-CG 4.45Å; Y518-K522 HydrophobicContact CE2-CD 4.29Å; Y518-K522 WeakPolarHBondContact O-CB 3.29Å; K522-L524 PolarHBondContact O-N 3.32Å; K522-L524 VanDerWaalsContact O-N 3.07Å; K522-I525 PolarHBondContact O-N 2.86Å; K522-E526 WeakPolarHBondContact CE-OE1 3.36Å; K522-E526 HydrophobicContact CG-CG 4.3Å; K522-E526 IonicContact NZ-OE1 3.93Å; K522-E526 PolarHBondContact O-N 3.37Å; K522-E526 VanDerWaalsContact O-N 3.08Å; K522-I603 HydrophobicContact CG-CD1 3.86Å |
| 523 | P | 88.2 | Confident | 91.6 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 31% | 0.312 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -63 | -18.2 | 179.2 | -21.6 | 34.5 | 0 | 0 | 0 | 114 | F486 M521 A527 | F486-P523 HydrophobicContact CD1-CB 3.81Å; F486-P523 HydrophobicContact CD1-CG 3.76Å; F486-P523 HydrophobicContact CE1-CB 3.73Å; F486-P523 HydrophobicContact CE1-CG 4.17Å; M521-P523 VanDerWaalsContact C-N 3.27Å; M521-P523 VanDerWaalsContact O-N 3.12Å; P523-A527 WeakPolarHBondContact O-CB 3.19Å; P523-A527 PolarHBondContact O-N 3.49Å |
| 524 | L | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.2 | -38.6 | 172.4 | -165.7 | 69.5 | 0 | 0 | 0 | 111.9 | I478 F486 I488 V496 F517 M521 K522 K529 V530 | I478-L524 HydrophobicContact CD1-CD2 4.42Å; F486-L524 HydrophobicContact CE2-CB 4.42Å; F486-L524 HydrophobicContact CZ-CB 3.83Å; F486-L524 HydrophobicContact CZ-CD1 4.22Å; I488-L524 HydrophobicContact CD1-CD1 4.05Å; V496-L524 HydrophobicContact CG2-CD2 4.23Å; F517-L524 HydrophobicContact CD1-CD2 4.13Å; F517-L524 HydrophobicContact CE1-CD2 4.27Å; M521-L524 HydrophobicContact CB-CB 4.12Å; M521-L524 HydrophobicContact CB-CD2 4.41Å; M521-L524 WeakPolarHBondContact O-CA 3.33Å; M521-L524 WeakPolarHBondContact O-CB 3.46Å; M521-L524 PolarHBondContact O-N 2.77Å; M521-L524 HydrophobicContact SD-CD2 4.22Å; K522-L524 PolarHBondContact O-N 3.32Å; K522-L524 VanDerWaalsContact O-N 3.07Å; L524-K529 HydrophobicContact CD1-CB 3.82Å; L524-K529 HydrophobicContact CD1-CD 4.11Å; L524-K529 HydrophobicContact CD1-CG 4.46Å; L524-K529 HydrophobicContact CG-CB 4.16Å; L524-K529 WeakPolarHBondContact O-CB 3.12Å; L524-K529 PolarHBondContact O-N 2.77Å; L524-V530 HydrophobicContact CB-CG2 4.34Å; L524-V530 HydrophobicContact CD2-CG2 3.77Å; L524-V530 HydrophobicContact CG-CG2 3.79Å |
| 525 | I | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.6 | -44.1 | 176.6 | -54.4 | 176.4 | 0 | 0 | 0 | 109.6 | F517 K522 A527 G528 V530 V601 I603 L678 | F517-I525 HydrophobicContact CB-CD1 3.86Å; F517-I525 HydrophobicContact CB-CG1 4.12Å; K522-I525 PolarHBondContact O-N 2.86Å; I525-A527 VanDerWaalsContact C-N 3.25Å; I525-A527 PolarHBondContact O-N 2.82Å; I525-G528 WeakPolarHBondContact O-CA 3.21Å; I525-G528 PolarHBondContact O-N 3.13Å; I525-V530 HydrophobicContact CG1-CB 4.37Å; I525-V530 HydrophobicContact CG1-CG2 3.85Å; I525-V601 HydrophobicContact CG2-CG1 4.2Å; I525-V601 WeakPolarHBondContact CG2-O 3.47Å; I525-I603 HydrophobicContact CB-CD1 3.96Å; I525-I603 HydrophobicContact CB-CG1 4.41Å; I525-I603 HydrophobicContact CD1-CD1 4.44Å; I525-I603 HydrophobicContact CG2-CD1 3.85Å; I525-I603 HydrophobicContact CG2-CG1 3.74Å; I525-L678 HydrophobicContact CD1-CD2 4.35Å |
| 526 | E | 88.2 | Confident | 90.1 | Very high | 112 Ų | 112 | 21.2 Ų | 21.2 | 52% | 0.523 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.3 | -35.8 | 177.1 | -66.1 | 172.8 | 157.5 | 0 | 0 | 112 | K522 G528 I603 | K522-E526 WeakPolarHBondContact CE-OE1 3.36Å; K522-E526 HydrophobicContact CG-CG 4.3Å; K522-E526 IonicContact NZ-OE1 3.93Å; K522-E526 PolarHBondContact O-N 3.37Å; K522-E526 VanDerWaalsContact O-N 3.08Å; E526-G528 PolarHBondContact O-N 2.99Å; E526-I603 HydrophobicContact CG-CD1 4.23Å |
| 527 | A | 88.7 | Confident | 89.5 | Confident | 53 Ų | 53 | 22.1 Ų | 22.1 | 44% | 0.438 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 1.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | I488 P523 I525 K529 | I488-A527 HydrophobicContact CD1-CB 3.85Å; I488-A527 HydrophobicContact CG1-CB 3.96Å; P523-A527 WeakPolarHBondContact O-CB 3.19Å; P523-A527 PolarHBondContact O-N 3.49Å; I525-A527 VanDerWaalsContact C-N 3.25Å; I525-A527 PolarHBondContact O-N 2.82Å; A527-K529 VanDerWaalsContact C-N 3.31Å; A527-K529 HydrophobicContact CB-CG 4.08Å; A527-K529 PolarHBondContact O-N 3.4Å |
| 528 | G | 91 | Very high | 89 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 28.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I525 E526 Y531 R600 | I525-G528 WeakPolarHBondContact O-CA 3.21Å; I525-G528 PolarHBondContact O-N 3.13Å; E526-G528 PolarHBondContact O-N 2.99Å; G528-Y531 WeakPolarHBondContact O-CE2 3.32Å; G528-Y531 VanDerWaalsContact O-CZ 3.29Å; G528-Y531 PolarHBondContact O-OH 2.76Å; G528-R600 WeakPolarHBondContact O-CD 3.39Å |
| 529 | K | 94.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 23.7 Ų | 23.7 | 17% | 0.17 | 12% | 0.122 | C | C | . | . | trans | -93.7 | -7.7 | -176.4 | -61.8 | -159.2 | 177.2 | -164.4 | 0 | 114.4 | I488 Y493 D494 V496 L524 A527 Y531 | I488-K529 HydrophobicContact CD1-CD 4.01Å; Y493-K529 PolarHBondContact O-NZ 2.89Å; D494-K529 WeakPolarHBondContact O-CB 3.5Å; D494-K529 WeakPolarHBondContact O-CG 3.25Å; V496-K529 PolarHBondContact N-O 3.07Å; L524-K529 HydrophobicContact CD1-CB 3.82Å; L524-K529 HydrophobicContact CD1-CD 4.11Å; L524-K529 HydrophobicContact CD1-CG 4.46Å; L524-K529 HydrophobicContact CG-CB 4.16Å; L524-K529 WeakPolarHBondContact O-CB 3.12Å; L524-K529 PolarHBondContact O-N 2.77Å; A527-K529 VanDerWaalsContact C-N 3.31Å; A527-K529 HydrophobicContact CB-CG 4.08Å; A527-K529 PolarHBondContact O-N 3.4Å; K529-Y531 VanDerWaalsContact O-CD2 3.29Å; K529-Y531 WeakPolarHBondContact O-CD2 3.45Å; K529-Y531 WeakPolarHBondContact O-CE2 3.41Å | ||
| 530 | V | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.3 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V496 I498 L514 F517 L524 I525 V601 | V496-V530 WeakPolarHBondContact O-CA 3.47Å; I498-V530 HydrophobicContact CD1-CG1 4.42Å; L514-V530 HydrophobicContact CD2-CG1 4.08Å; F517-V530 HydrophobicContact CD2-CG1 3.97Å; F517-V530 HydrophobicContact CD2-CG2 4.33Å; F517-V530 HydrophobicContact CE2-CG1 4.23Å; F517-V530 HydrophobicContact CG-CG2 4.46Å; L524-V530 HydrophobicContact CB-CG2 4.34Å; L524-V530 HydrophobicContact CD2-CG2 3.77Å; L524-V530 HydrophobicContact CG-CG2 3.79Å; I525-V530 HydrophobicContact CG1-CB 4.37Å; I525-V530 HydrophobicContact CG1-CG2 3.85Å; V530-V601 PolarHBondContact O-N 2.96Å |
| 531 | Y | 95.9 | Very high | 88.7 | Confident | 13 Ų | 13 | 20.4 Ų | 20.4 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156.8 | -177.5 | -61.1 | -98.1 | 0 | 0 | 0 | 110.8 | K495 V496 I497 I498 G528 K529 L598 V599 R600 I673 | K495-Y531 HydrophobicContact CB-CD2 3.74Å; K495-Y531 HydrophobicContact CB-CE2 3.76Å; K495-Y531 HydrophobicContact CD-CD2 4.39Å; K495-Y531 HydrophobicContact CD-CE2 4.06Å; K495-Y531 HydrophobicContact CG-CD2 4.02Å; K495-Y531 HydrophobicContact CG-CE2 3.56Å; V496-Y531 PolarHBondContact O-N 3.18Å; I497-Y531 CarbonylContact C-O 3.54Å; I497-Y531 WeakPolarHBondContact CA-O 3.04Å; I498-Y531 PolarHBondContact N-O 3.24Å; G528-Y531 WeakPolarHBondContact O-CE2 3.32Å; G528-Y531 VanDerWaalsContact O-CZ 3.29Å; G528-Y531 PolarHBondContact O-OH 2.76Å; K529-Y531 VanDerWaalsContact O-CD2 3.29Å; K529-Y531 WeakPolarHBondContact O-CD2 3.45Å; K529-Y531 WeakPolarHBondContact O-CE2 3.41Å; Y531-L598 HydrophobicContact CD1-CB 4.09Å; Y531-L598 HydrophobicContact CD1-CD1 4.06Å; Y531-L598 HydrophobicContact CG-CD1 4.34Å; Y531-V599 CarbonylContact C-O 3.59Å; Y531-V599 WeakPolarHBondContact CA-O 3.23Å; Y531-R600 HydrophobicContact CD1-CB 3.84Å; Y531-R600 HydrophobicContact CD1-CG 4.29Å; Y531-R600 HydrophobicContact CE1-CB 3.65Å; Y531-R600 HydrophobicContact CE1-CG 3.83Å; Y531-I673 HydrophobicContact CE1-CD1 4.48Å; Y531-I673 HydrophobicContact CE1-CG2 4.24Å |
| 532 | I | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.2 | 169.2 | -58.3 | 170 | 0 | 0 | 0 | 107.8 | I498 Q510 L514 L598 V599 V601 V681 | I498-I532 HydrophobicContact CB-CG1 4.3Å; I498-I532 HydrophobicContact CD1-CG1 4.34Å; I498-I532 CarbonylContact O-C 3.46Å; I498-I532 WeakPolarHBondContact O-CA 3.44Å; Q510-I532 HydrophobicContact CG-CG2 4.49Å; L514-I532 HydrophobicContact CD1-CD1 4.27Å; I532-L598 WeakPolarHBondContact O-CA 3.28Å; I532-V599 HydrophobicContact CB-CB 4.26Å; I532-V599 PolarHBondContact N-O 3.41Å; I532-V599 PolarHBondContact O-N 2.97Å; I532-V601 HydrophobicContact CD1-CG2 4.03Å; I532-V601 HydrophobicContact CG1-CG2 4.26Å; I532-V681 HydrophobicContact CD1-CG1 3.54Å |
| 533 | A | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I497 I498 M499 P535 L598 | I497-A533 HydrophobicContact CG2-CB 3.7Å; I498-A533 PolarHBondContact O-N 2.97Å; M499-A533 HydrophobicContact CB-CB 4.16Å; M499-A533 HydrophobicContact CG-CB 4.08Å; A533-P535 WeakPolarHBondContact O-CD 3.39Å; A533-L598 HydrophobicContact CB-CD2 4Å |
| 534 | L | 85.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | trans | -106.9 | 99.3 | 177.2 | -63 | -179.8 | 0 | 0 | 0 | 109.9 | W554 T597 V599 L642 L643 | L534-W554 PolarHBondContact O-NE1 2.96Å; L534-T597 HydrophobicContact CD1-CG2 4.16Å; L534-T597 PolarHBondContact N-O 2.73Å; L534-V599 HydrophobicContact CD1-CG2 3.73Å; L534-V599 HydrophobicContact CD2-CG2 4.36Å; L534-V599 HydrophobicContact CG-CG2 4.06Å; L534-L642 HydrophobicContact CD2-CB 4.33Å; L534-L642 HydrophobicContact CD2-CD2 4.35Å; L534-L643 HydrophobicContact CD1-CD1 4.32Å; L534-L643 HydrophobicContact CD1-CD2 3.81Å; L534-L643 HydrophobicContact CD1-CG 3.96Å | ||
| 535 | P | 84.6 | Confident | 87 | Confident | 15 Ų | 15 | 28 Ų | 28 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | trans | -66 | 152.3 | 169.9 | 28.8 | -35.1 | 0 | 0 | 0 | 112.2 | A502 A533 L578 T590 | A502-P535 HydrophobicContact CB-CG 4.22Å; A533-P535 WeakPolarHBondContact O-CD 3.39Å; P535-L578 HydrophobicContact CB-CD2 3.62Å; P535-L578 HydrophobicContact CG-CD2 3.77Å; P535-T590 HydrophobicContact CB-CG2 3.71Å | ||
| 536 | P | 82.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -69.2 | 142.4 | 175.2 | 29.6 | -34.6 | 0 | 0 | 0 | 110.7 | Y552 W554 Y575 M581 T589 | P536-Y552 HydrophobicContact CB-CD1 4.2Å; P536-Y552 HydrophobicContact CB-CG 4.4Å; P536-Y552 HydrophobicContact CG-CD1 3.89Å; P536-Y552 HydrophobicContact CG-CG 4.34Å; P536-W554 HydrophobicContact CB-CD2 4.08Å; P536-W554 HydrophobicContact CB-CG 4.43Å; P536-W554 HydrophobicContact CB-CZ2 4.16Å; P536-Y575 HydrophobicContact CG-CD2 4.39Å; P536-M581 HydrophobicContact CG-CE 4.01Å; P536-T589 HydrophobicContact CG-CG2 3.99Å | ||
| 537 | L | 79.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -77.3 | -32.1 | 175.6 | -68.5 | 179.3 | 0 | 0 | 0 | 111.9 | A502 A553 W554 R574 Y575 | A502-L537 HydrophobicContact CB-CD2 3.62Å; L537-A553 PolarHBondContact N-O 3.39Å; L537-W554 WeakPolarHBondContact CD1-O 3.31Å; L537-W554 WeakPolarHBondContact CG-O 3.39Å; L537-R574 CarbonylContact O-C 3.58Å; L537-R574 WeakPolarHBondContact O-CA 3.43Å; L537-Y575 PolarHBondContact O-N 3.42Å |
| 538 | Y | 82.5 | Confident | 85.2 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.1 | -172.9 | -52.6 | -77.4 | 0 | 0 | 0 | 112.6 | Y552 A553 D556 L559 L572 Q573 R574 | Y538-Y552 VanDerWaalsContact O-CA 3.32Å; Y538-Y552 WeakPolarHBondContact O-CA 3.47Å; Y538-A553 HydrophobicContact CD2-CB 4.32Å; Y538-A553 PolarHBondContact N-O 2.84Å; Y538-A553 PolarHBondContact O-N 3.18Å; Y538-D556 VanDerWaalsContact CE2-OD1 3.29Å; Y538-D556 WeakPolarHBondContact CE2-OD1 3.46Å; Y538-D556 VanDerWaalsContact CZ-OD1 3.26Å; Y538-D556 PolarHBondContact OH-OD1 2.59Å; Y538-L559 HydrophobicContact CD1-CD2 4.01Å; Y538-L559 HydrophobicContact CD2-CB 3.9Å; Y538-L559 HydrophobicContact CD2-CD1 4.29Å; Y538-L559 HydrophobicContact CD2-CD2 3.88Å; Y538-L559 HydrophobicContact CD2-CG 4.23Å; Y538-L559 HydrophobicContact CE1-CD2 3.97Å; Y538-L559 HydrophobicContact CE2-CB 4.2Å; Y538-L559 HydrophobicContact CE2-CD2 3.83Å; Y538-L559 HydrophobicContact CG-CB 4.48Å; Y538-L559 HydrophobicContact CG-CD1 4.02Å; Y538-L559 HydrophobicContact CG-CD2 3.96Å; Y538-L559 HydrophobicContact CG-CG 4.37Å; Y538-L572 HydrophobicContact CD1-CD1 4.11Å; Y538-L572 HydrophobicContact CG-CD1 4.43Å; Y538-Q573 CarbonylContact C-O 3.38Å; Y538-Q573 WeakPolarHBondContact CA-O 3.37Å; Y538-R574 HydrophobicContact CD1-CB 4Å; Y538-R574 HydrophobicContact CD1-CG 3.88Å; Y538-R574 HydrophobicContact CE1-CB 4.11Å; Y538-R574 HydrophobicContact CE1-CG 3.64Å |
| 539 | K | 86.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 48 Ų | 48 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.6 | 164.2 | 173.4 | 179.7 | 178.3 | -172.7 | 0 | 109.4 | I550 Y552 Q573 Y575 | K539-I550 HydrophobicContact CD-CG2 4.21Å; K539-I550 HydrophobicContact CG-CG2 4.03Å; K539-Y552 HydrophobicContact CB-CD1 3.94Å; K539-Y552 HydrophobicContact CB-CE1 3.9Å; K539-Y552 HydrophobicContact CD-CE1 3.97Å; K539-Y552 HydrophobicContact CG-CD1 4.29Å; K539-Y552 HydrophobicContact CG-CE1 3.93Å; K539-Q573 HydrophobicContact CB-CB 4.35Å; K539-Q573 PolarHBondContact N-O 3.15Å; K539-Q573 PolarHBondContact O-N 3.5Å; K539-Y575 HydrophobicContact CB-CE2 3.64Å; K539-Y575 HydrophobicContact CD-CE2 4.5Å; K539-Y575 WeakPolarHBondContact CD-OH 3.19Å |
| 540 | V | 86.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.4 | 173 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | E551 L559 V562 I563 V566 Y570 L572 | V540-E551 PolarHBondContact N-O 3.17Å; V540-E551 PolarHBondContact O-N 3.14Å; V540-L559 HydrophobicContact CG2-CD1 3.71Å; V540-V562 HydrophobicContact CB-CG1 3.63Å; V540-V562 HydrophobicContact CG1-CG1 4.22Å; V540-V562 HydrophobicContact CG2-CB 4.47Å; V540-V562 HydrophobicContact CG2-CG1 3.59Å; V540-I563 HydrophobicContact CG2-CG1 4.47Å; V540-V566 HydrophobicContact CB-CG2 4.47Å; V540-V566 HydrophobicContact CG1-CB 3.99Å; V540-V566 HydrophobicContact CG1-CG1 3.98Å; V540-V566 HydrophobicContact CG1-CG2 3.88Å; V540-Y570 HydrophobicContact CG1-CD2 3.81Å; V540-Y570 HydrophobicContact CG1-CG 3.93Å; V540-L572 HydrophobicContact CG2-CD1 3.9Å |
| 541 | S | 86.7 | Confident | 83.9 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145 | 179.5 | 70 | 0 | 0 | 0 | 0 | 112.6 | V549 Y570 M571 | S541-V549 CarbonylContact C-O 3.53Å; S541-V549 VanDerWaalsContact CA-O 3.26Å; S541-V549 WeakPolarHBondContact CA-O 3.47Å; S541-Y570 CarbonylContact O-C 3.59Å; S541-Y570 WeakPolarHBondContact O-CA 3.09Å; S541-M571 PolarHBondContact N-O 2.87Å; S541-M571 PolarHBondContact O-N 3.35Å |
| 542 | K | 85.9 | Confident | 83.5 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133 | 178.9 | -174.3 | 178.5 | -174.1 | 176 | 0 | 111.4 | Q548 V549 V566 K568 | K542-Q548 WeakPolarHBondContact O-CA 3.36Å; K542-V549 PolarHBondContact N-O 3.38Å; K542-V549 PolarHBondContact O-N 3.44Å; K542-V566 HydrophobicContact CB-CG1 3.53Å; K542-V566 HydrophobicContact CD-CG1 3.69Å; K542-V566 VanDerWaalsContact CD-O 3.26Å; K542-V566 WeakPolarHBondContact CD-O 3.4Å; K542-V566 HydrophobicContact CG-CG1 4.24Å; K542-V566 PolarHBondContact NZ-O 3.16Å; K542-K568 VanDerWaalsContact CE-O 3.23Å; K542-K568 WeakPolarHBondContact CE-O 3.26Å; K542-K568 PolarHBondContact NZ-O 2.96Å; K542-K568 VanDerWaalsContact NZ-O 3.1Å |
| 543 | G | 82.8 | Confident | 83 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 84.1 | -169.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 544 | A | 76.2 | Confident | 82.5 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -144 | 151.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 545 | G | 77.7 | Confident | 81.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 70.7 | -150 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K547 Q548 | G545-K547 PolarHBondContact O-N 3.29Å; G545-K547 VanDerWaalsContact O-N 3.1Å; G545-Q548 WeakPolarHBondContact O-CB 3.3Å; G545-Q548 PolarHBondContact O-N 2.81Å |
| 546 | R | 71.5 | Confident | 81.4 | Confident | 261 Ų | 261 | 56.2 Ų | 56.2 | 99% | 0.985 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -64.6 | -14.3 | -175.6 | -71.5 | -174.9 | 179.8 | 174.7 | -0.9 | 115.6 | ||
| 547 | K | 76.9 | Confident | 80.9 | Confident | 194 Ų | 194 | 62.2 Ų | 62.2 | 84% | 0.843 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -96.3 | 5.1 | 176 | -65.2 | -172.3 | 179.4 | -176 | 0 | 112.5 | G545 V549 | G545-K547 PolarHBondContact O-N 3.29Å; G545-K547 VanDerWaalsContact O-N 3.1Å; K547-V549 PolarHBondContact O-N 3.38Å |
| 548 | Q | 80.8 | Confident | 80.7 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | trans | -65.2 | 125.4 | 178.1 | -171.5 | 177.6 | 11.7 | 0 | 0 | 109 | K542 G545 I550 | K542-Q548 WeakPolarHBondContact O-CA 3.36Å; G545-Q548 WeakPolarHBondContact O-CB 3.3Å; G545-Q548 PolarHBondContact O-N 2.81Å; Q548-I550 HydrophobicContact CG-CD1 4.29Å; Q548-I550 HydrophobicContact CG-CG1 3.83Å | ||
| 549 | V | 83 | Confident | 80.7 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.6 | 168.7 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | S541 K542 K547 E551 V566 | S541-V549 CarbonylContact C-O 3.53Å; S541-V549 VanDerWaalsContact CA-O 3.26Å; S541-V549 WeakPolarHBondContact CA-O 3.47Å; K542-V549 PolarHBondContact N-O 3.38Å; K542-V549 PolarHBondContact O-N 3.44Å; K547-V549 PolarHBondContact O-N 3.38Å; V549-E551 HydrophobicContact CG1-CG 4.08Å; V549-V566 HydrophobicContact CG1-CG2 4.46Å |
| 550 | I | 85.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 32% | 0.323 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.7 | 175.9 | -58.4 | 178.6 | 0 | 0 | 0 | 106.5 | K539 Q548 Y552 | K539-I550 HydrophobicContact CD-CG2 4.21Å; K539-I550 HydrophobicContact CG-CG2 4.03Å; Q548-I550 HydrophobicContact CG-CD1 4.29Å; Q548-I550 HydrophobicContact CG-CG1 3.83Å; I550-Y552 HydrophobicContact CG2-CE1 4.46Å; I550-Y552 HydrophobicContact CG2-CE2 3.94Å |
| 551 | E | 86.8 | Confident | 80.3 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 23% | 0.234 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.6 | 176.5 | -63.2 | -79.1 | 167.3 | 0 | 0 | 108.1 | V540 V549 V562 K565 V566 | V540-E551 PolarHBondContact N-O 3.17Å; V540-E551 PolarHBondContact O-N 3.14Å; V549-E551 HydrophobicContact CG1-CG 4.08Å; E551-V562 HydrophobicContact CB-CG1 3.41Å; E551-V562 VanDerWaalsContact CB-CG1 3.41Å; E551-V562 HydrophobicContact CB-CG2 4.47Å; E551-V562 HydrophobicContact CG-CG1 4.27Å; E551-K565 WeakPolarHBondContact OE1-CE 3.16Å; E551-K565 IonicContact OE1-NZ 2.7Å; E551-K565 PolarHBondContact OE1-NZ 3.15Å; E551-K565 IonicContact OE2-NZ 3.16Å; E551-K565 PolarHBondContact OE2-NZ 2.95Å; E551-V566 HydrophobicContact CB-CG2 4.3Å; E551-V566 HydrophobicContact CG-CG2 3.88Å |
| 552 | Y | 87 | Confident | 80.1 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 12% | 0.122 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148.1 | 178.6 | -62.4 | -80.4 | 0 | 0 | 0 | 109.7 | P536 Y538 K539 I550 Y575 Q585 T589 | P536-Y552 HydrophobicContact CB-CD1 4.2Å; P536-Y552 HydrophobicContact CB-CG 4.4Å; P536-Y552 HydrophobicContact CG-CD1 3.89Å; P536-Y552 HydrophobicContact CG-CG 4.34Å; Y538-Y552 VanDerWaalsContact O-CA 3.32Å; Y538-Y552 WeakPolarHBondContact O-CA 3.47Å; K539-Y552 HydrophobicContact CB-CD1 3.94Å; K539-Y552 HydrophobicContact CB-CE1 3.9Å; K539-Y552 HydrophobicContact CD-CE1 3.97Å; K539-Y552 HydrophobicContact CG-CD1 4.29Å; K539-Y552 HydrophobicContact CG-CE1 3.93Å; I550-Y552 HydrophobicContact CG2-CE1 4.46Å; I550-Y552 HydrophobicContact CG2-CE2 3.94Å; Y552-Y575 HydrophobicContact CD1-CE2 4.33Å; Y552-Y575 HydrophobicContact CE1-CE2 4.11Å; Y552-Q585 WeakPolarHBondContact OH-CG 3.33Å; Y552-Q585 PolarHBondContact OH-NE2 3.48Å; Y552-T589 HydrophobicContact CD1-CG2 4.02Å; Y552-T589 HydrophobicContact CD2-CG2 3.57Å; Y552-T589 HydrophobicContact CE1-CG2 4Å; Y552-T589 HydrophobicContact CE2-CG2 3.55Å; Y552-T589 HydrophobicContact CG-CG2 3.81Å |
| 553 | A | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L537 Y538 E558 L559 V562 | L537-A553 PolarHBondContact N-O 3.39Å; Y538-A553 HydrophobicContact CD2-CB 4.32Å; Y538-A553 PolarHBondContact N-O 2.84Å; Y538-A553 PolarHBondContact O-N 3.18Å; A553-E558 HydrophobicContact CB-CB 3.86Å; A553-L559 HydrophobicContact CB-CB 4.05Å; A553-V562 HydrophobicContact CB-CG2 4.21Å |
| 554 | W | 80.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 15% | 0.148 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -97.7 | -16.2 | 179.4 | -74.9 | -102.4 | 0 | 0 | 0 | 112.8 | L534 P536 L537 E558 S641 L643 | L534-W554 PolarHBondContact O-NE1 2.96Å; P536-W554 HydrophobicContact CB-CD2 4.08Å; P536-W554 HydrophobicContact CB-CG 4.43Å; P536-W554 HydrophobicContact CB-CZ2 4.16Å; L537-W554 WeakPolarHBondContact CD1-O 3.31Å; L537-W554 WeakPolarHBondContact CG-O 3.39Å; W554-E558 WeakPolarHBondContact CB-OE2 3.41Å; W554-E558 PolarHBondContact N-OE2 2.68Å; W554-S641 WeakPolarHBondContact O-CB 3.32Å; W554-S641 PolarHBondContact O-OG 3.47Å; W554-L643 HydrophobicContact CB-CD1 3.78Å; W554-L643 HydrophobicContact CG-CD1 4.38Å |
| 555 | T | 72.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -132.1 | 163.6 | 178.1 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | D557 E558 L559 L643 D644 | T555-D557 VanDerWaalsContact C-N 3.3Å; T555-D557 PolarHBondContact OG1-N 2.83Å; T555-E558 PolarHBondContact O-N 2.96Å; T555-E558 WeakPolarHBondContact OG1-CB 3.34Å; T555-E558 WeakPolarHBondContact OG1-CG 3.34Å; T555-E558 PolarHBondContact OG1-N 3.01Å; T555-L559 PolarHBondContact O-N 3.2Å; T555-L643 HydrophobicContact CG2-CB 3.72Å; T555-L643 HydrophobicContact CG2-CD1 4.32Å; T555-D644 WeakPolarHBondContact CB-OD1 3.45Å; T555-D644 WeakPolarHBondContact CG2-OD1 3.46Å |
| 556 | D | 73.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 173.6 | -71 | -51.9 | 0 | 0 | 0 | 112.4 | Y538 L559 Q560 | Y538-D556 VanDerWaalsContact CE2-OD1 3.29Å; Y538-D556 WeakPolarHBondContact CE2-OD1 3.46Å; Y538-D556 VanDerWaalsContact CZ-OD1 3.26Å; Y538-D556 PolarHBondContact OH-OD1 2.59Å; D556-L559 WeakPolarHBondContact O-CB 3.33Å; D556-L559 PolarHBondContact O-N 2.86Å; D556-Q560 PolarHBondContact O-N 2.81Å; D556-Q560 VanDerWaalsContact O-N 3.16Å |
| 557 | D | 72.5 | Confident | 81.1 | Confident | 126 Ų | 126 | 66.5 Ų | 66.5 | 67% | 0.674 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.2 | -46 | 174.1 | -74.4 | -24 | 0 | 0 | 0 | 111.6 | T555 L559 Q560 E561 | T555-D557 VanDerWaalsContact C-N 3.3Å; T555-D557 PolarHBondContact OG1-N 2.83Å; D557-L559 VanDerWaalsContact C-N 3.25Å; D557-L559 PolarHBondContact O-N 2.89Å; D557-Q560 WeakPolarHBondContact O-CB 3.32Å; D557-Q560 PolarHBondContact O-N 2.92Å; D557-Q560 VanDerWaalsContact O-N 3.14Å; D557-E561 PolarHBondContact O-N 2.92Å |
| 558 | E | 77.2 | Confident | 81.2 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 23% | 0.229 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.3 | -75.8 | -179.7 | 179.6 | 0 | 0 | 111.1 | A553 W554 T555 Q560 E561 V562 | A553-E558 HydrophobicContact CB-CB 3.86Å; W554-E558 WeakPolarHBondContact CB-OE2 3.41Å; W554-E558 PolarHBondContact N-OE2 2.68Å; T555-E558 PolarHBondContact O-N 2.96Å; T555-E558 WeakPolarHBondContact OG1-CB 3.34Å; T555-E558 WeakPolarHBondContact OG1-CG 3.34Å; T555-E558 PolarHBondContact OG1-N 3.01Å; E558-Q560 VanDerWaalsContact C-N 3.29Å; E558-Q560 PolarHBondContact O-N 3.26Å; E558-E561 PolarHBondContact O-N 3.46Å; E558-V562 WeakPolarHBondContact O-CB 3.42Å; E558-V562 VanDerWaalsContact O-CG2 3.26Å; E558-V562 WeakPolarHBondContact O-CG2 3.42Å; E558-V562 PolarHBondContact O-N 2.9Å |
| 559 | L | 81.1 | Confident | 81.1 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.5 | 174.5 | 63.9 | 0 | 0 | 0 | 110.8 | Y538 V540 A553 T555 D556 D557 E561 V562 I563 L572 | Y538-L559 HydrophobicContact CD1-CD2 4.01Å; Y538-L559 HydrophobicContact CD2-CB 3.9Å; Y538-L559 HydrophobicContact CD2-CD1 4.29Å; Y538-L559 HydrophobicContact CD2-CD2 3.88Å; Y538-L559 HydrophobicContact CD2-CG 4.23Å; Y538-L559 HydrophobicContact CE1-CD2 3.97Å; Y538-L559 HydrophobicContact CE2-CB 4.2Å; Y538-L559 HydrophobicContact CE2-CD2 3.83Å; Y538-L559 HydrophobicContact CG-CB 4.48Å; Y538-L559 HydrophobicContact CG-CD1 4.02Å; Y538-L559 HydrophobicContact CG-CD2 3.96Å; Y538-L559 HydrophobicContact CG-CG 4.37Å; V540-L559 HydrophobicContact CG2-CD1 3.71Å; A553-L559 HydrophobicContact CB-CB 4.05Å; T555-L559 PolarHBondContact O-N 3.2Å; D556-L559 WeakPolarHBondContact O-CB 3.33Å; D556-L559 PolarHBondContact O-N 2.86Å; D557-L559 VanDerWaalsContact C-N 3.25Å; D557-L559 PolarHBondContact O-N 2.89Å; L559-E561 VanDerWaalsContact C-N 3.34Å; L559-E561 PolarHBondContact O-N 2.96Å; L559-V562 PolarHBondContact O-N 3.39Å; L559-I563 HydrophobicContact CD1-CD1 3.75Å; L559-I563 HydrophobicContact CD1-CG1 3.96Å; L559-I563 HydrophobicContact CD2-CD1 4.38Å; L559-I563 HydrophobicContact CG-CD1 3.72Å; L559-I563 HydrophobicContact CG-CG1 4.35Å; L559-I563 WeakPolarHBondContact O-CB 3.42Å; L559-I563 WeakPolarHBondContact O-CG1 3.08Å; L559-I563 PolarHBondContact O-N 3.03Å; L559-L572 HydrophobicContact CD1-CD1 3.61Å |
| 560 | Q | 81.1 | Confident | 81 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.6 | -64.1 | -55.7 | -40.4 | 0 | 0 | 112.2 | D556 D557 E558 K564 | D556-Q560 PolarHBondContact O-N 2.81Å; D556-Q560 VanDerWaalsContact O-N 3.16Å; D557-Q560 WeakPolarHBondContact O-CB 3.32Å; D557-Q560 PolarHBondContact O-N 2.92Å; D557-Q560 VanDerWaalsContact O-N 3.14Å; E558-Q560 VanDerWaalsContact C-N 3.29Å; E558-Q560 PolarHBondContact O-N 3.26Å; Q560-K564 VanDerWaalsContact O-CG 3.25Å; Q560-K564 WeakPolarHBondContact O-CG 3.46Å; Q560-K564 PolarHBondContact O-N 2.97Å; Q560-K564 VanDerWaalsContact O-N 3.07Å |
| 561 | E | 83 | Confident | 80.8 | Confident | 136 Ų | 136 | 70.4 Ų | 70.4 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.3 | -43.9 | 175.5 | -65.6 | -170.9 | 162.5 | 0 | 0 | 112.3 | D557 E558 L559 K564 K565 | D557-E561 PolarHBondContact O-N 2.92Å; E558-E561 PolarHBondContact O-N 3.46Å; L559-E561 VanDerWaalsContact C-N 3.34Å; L559-E561 PolarHBondContact O-N 2.96Å; E561-K564 WeakPolarHBondContact O-CB 3.21Å; E561-K564 PolarHBondContact O-N 2.77Å; E561-K565 WeakPolarHBondContact O-CB 3.32Å; E561-K565 PolarHBondContact O-N 3.43Å |
| 562 | V | 84 | Confident | 80.6 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 9% | 0.085 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | V540 E551 A553 E558 L559 K564 K565 V566 | V540-V562 HydrophobicContact CB-CG1 3.63Å; V540-V562 HydrophobicContact CG1-CG1 4.22Å; V540-V562 HydrophobicContact CG2-CB 4.47Å; V540-V562 HydrophobicContact CG2-CG1 3.59Å; E551-V562 HydrophobicContact CB-CG1 3.41Å; E551-V562 VanDerWaalsContact CB-CG1 3.41Å; E551-V562 HydrophobicContact CB-CG2 4.47Å; E551-V562 HydrophobicContact CG-CG1 4.27Å; A553-V562 HydrophobicContact CB-CG2 4.21Å; E558-V562 WeakPolarHBondContact O-CB 3.42Å; E558-V562 VanDerWaalsContact O-CG2 3.26Å; E558-V562 WeakPolarHBondContact O-CG2 3.42Å; E558-V562 PolarHBondContact O-N 2.9Å; L559-V562 PolarHBondContact O-N 3.39Å; V562-K564 VanDerWaalsContact C-N 3.3Å; V562-K564 PolarHBondContact O-N 2.86Å; V562-K565 PolarHBondContact O-N 2.88Å; V562-V566 HydrophobicContact CG1-CG2 4.14Å; V562-V566 WeakPolarHBondContact O-CB 3.11Å; V562-V566 VanDerWaalsContact O-CG2 3.32Å; V562-V566 WeakPolarHBondContact O-CG2 3.16Å; V562-V566 PolarHBondContact O-N 3.39Å |
| 563 | I | 84.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | 174.6 | -73.1 | 168.4 | 0 | 0 | 0 | 110.5 | V540 L559 G567 Y570 | V540-I563 HydrophobicContact CG2-CG1 4.47Å; L559-I563 HydrophobicContact CD1-CD1 3.75Å; L559-I563 HydrophobicContact CD1-CG1 3.96Å; L559-I563 HydrophobicContact CD2-CD1 4.38Å; L559-I563 HydrophobicContact CG-CD1 3.72Å; L559-I563 HydrophobicContact CG-CG1 4.35Å; L559-I563 WeakPolarHBondContact O-CB 3.42Å; L559-I563 WeakPolarHBondContact O-CG1 3.08Å; L559-I563 PolarHBondContact O-N 3.03Å; I563-G567 PolarHBondContact O-N 2.84Å; I563-Y570 HydrophobicContact CD1-CE2 4.21Å; I563-Y570 HydrophobicContact CG1-CE1 4.37Å; I563-Y570 HydrophobicContact CG1-CE2 4.01Å; I563-Y570 HydrophobicContact CG2-CD1 4.46Å; I563-Y570 HydrophobicContact CG2-CE1 3.7Å |
| 564 | K | 83.9 | Confident | 80.2 | Confident | 165 Ų | 165 | 78.2 Ų | 78.2 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 175.1 | -73.8 | 168.2 | -173.4 | 169 | 0 | 111.8 | Q560 E561 V562 | Q560-K564 VanDerWaalsContact O-CG 3.25Å; Q560-K564 WeakPolarHBondContact O-CG 3.46Å; Q560-K564 PolarHBondContact O-N 2.97Å; Q560-K564 VanDerWaalsContact O-N 3.07Å; E561-K564 WeakPolarHBondContact O-CB 3.21Å; E561-K564 PolarHBondContact O-N 2.77Å; V562-K564 VanDerWaalsContact C-N 3.3Å; V562-K564 PolarHBondContact O-N 2.86Å |
| 565 | K | 82.9 | Confident | 80 | Confident | 144 Ų | 144 | 76.6 Ų | 76.6 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 178.1 | -174 | -174.1 | -179.8 | -169.2 | 0 | 112.3 | E551 E561 V562 | E551-K565 WeakPolarHBondContact OE1-CE 3.16Å; E551-K565 IonicContact OE1-NZ 2.7Å; E551-K565 PolarHBondContact OE1-NZ 3.15Å; E551-K565 IonicContact OE2-NZ 3.16Å; E551-K565 PolarHBondContact OE2-NZ 2.95Å; E561-K565 WeakPolarHBondContact O-CB 3.32Å; E561-K565 PolarHBondContact O-N 3.43Å; V562-K565 PolarHBondContact O-N 2.88Å |
| 566 | V | 82.5 | Confident | 79.7 | Confident | 12 Ų | 12 | 79.3 Ų | 79.3 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.6 | -32.3 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | V540 K542 V549 E551 V562 | V540-V566 HydrophobicContact CB-CG2 4.47Å; V540-V566 HydrophobicContact CG1-CB 3.99Å; V540-V566 HydrophobicContact CG1-CG1 3.98Å; V540-V566 HydrophobicContact CG1-CG2 3.88Å; K542-V566 HydrophobicContact CB-CG1 3.53Å; K542-V566 HydrophobicContact CD-CG1 3.69Å; K542-V566 VanDerWaalsContact CD-O 3.26Å; K542-V566 WeakPolarHBondContact CD-O 3.4Å; K542-V566 HydrophobicContact CG-CG1 4.24Å; K542-V566 PolarHBondContact NZ-O 3.16Å; V549-V566 HydrophobicContact CG1-CG2 4.46Å; E551-V566 HydrophobicContact CB-CG2 4.3Å; E551-V566 HydrophobicContact CG-CG2 3.88Å; V562-V566 HydrophobicContact CG1-CG2 4.14Å; V562-V566 WeakPolarHBondContact O-CB 3.11Å; V562-V566 VanDerWaalsContact O-CG2 3.32Å; V562-V566 WeakPolarHBondContact O-CG2 3.16Å; V562-V566 PolarHBondContact O-N 3.39Å |
| 567 | G | 80 | Confident | 79.7 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | trans | 71 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I563 Y570 | I563-G567 PolarHBondContact O-N 2.84Å; G567-Y570 WeakPolarHBondContact O-CD1 3.48Å | ||
| 568 | K | 79.9 | Confident | 80.1 | Confident | 200 Ų | 200 | 71 Ų | 71 | 87% | 0.87 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -55.3 | 147 | -173.5 | -64.7 | -175 | 178.7 | -177.6 | 0 | 114.2 | K542 | K542-K568 VanDerWaalsContact CE-O 3.23Å; K542-K568 WeakPolarHBondContact CE-O 3.26Å; K542-K568 PolarHBondContact NZ-O 2.96Å; K542-K568 VanDerWaalsContact NZ-O 3.1Å |
| 569 | G | 78.2 | Confident | 80 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 72% | 0.722 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 85.6 | 23.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 570 | Y | 82.1 | Confident | 79.9 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 156.7 | 174.4 | 64 | -86.2 | 0 | 0 | 0 | 111.5 | V540 S541 I563 G567 L572 | V540-Y570 HydrophobicContact CG1-CD2 3.81Å; V540-Y570 HydrophobicContact CG1-CG 3.93Å; S541-Y570 CarbonylContact O-C 3.59Å; S541-Y570 WeakPolarHBondContact O-CA 3.09Å; I563-Y570 HydrophobicContact CD1-CE2 4.21Å; I563-Y570 HydrophobicContact CG1-CE1 4.37Å; I563-Y570 HydrophobicContact CG1-CE2 4.01Å; I563-Y570 HydrophobicContact CG2-CD1 4.46Å; I563-Y570 HydrophobicContact CG2-CE1 3.7Å; G567-Y570 WeakPolarHBondContact O-CD1 3.48Å; Y570-L572 HydrophobicContact CD2-CB 4.22Å; Y570-L572 HydrophobicContact CE2-CB 4.03Å |
| 571 | M | 81.5 | Confident | 80.1 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.8 | 163.8 | -68.8 | -175.3 | -69.5 | 0 | 0 | 108.3 | S541 | S541-M571 PolarHBondContact N-O 2.87Å; S541-M571 PolarHBondContact O-N 3.35Å |
| 572 | L | 82.4 | Confident | 80.3 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.2 | 174.6 | -179 | 63.2 | 0 | 0 | 0 | 109 | Y538 V540 L559 Y570 | Y538-L572 HydrophobicContact CD1-CD1 4.11Å; Y538-L572 HydrophobicContact CG-CD1 4.43Å; V540-L572 HydrophobicContact CG2-CD1 3.9Å; L559-L572 HydrophobicContact CD1-CD1 3.61Å; Y570-L572 HydrophobicContact CD2-CB 4.22Å; Y570-L572 HydrophobicContact CE2-CB 4.03Å |
| 573 | Q | 82.2 | Confident | 80.5 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.3 | 169.7 | -179.9 | 177.5 | 6.1 | 0 | 0 | 107.6 | Y538 K539 Y575 | Y538-Q573 CarbonylContact C-O 3.38Å; Y538-Q573 WeakPolarHBondContact CA-O 3.37Å; K539-Q573 HydrophobicContact CB-CB 4.35Å; K539-Q573 PolarHBondContact N-O 3.15Å; K539-Q573 PolarHBondContact O-N 3.5Å; Q573-Y575 HydrophobicContact CG-CE1 4.23Å; Q573-Y575 PolarHBondContact OE1-OH 3.47Å |
| 574 | R | 78.3 | Confident | 80.7 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.1 | 173.5 | -172.7 | 175.4 | -169.5 | -169.2 | -2.7 | 109 | L537 Y538 E638 | L537-R574 CarbonylContact O-C 3.58Å; L537-R574 WeakPolarHBondContact O-CA 3.43Å; Y538-R574 HydrophobicContact CD1-CB 4Å; Y538-R574 HydrophobicContact CD1-CG 3.88Å; Y538-R574 HydrophobicContact CE1-CB 4.11Å; Y538-R574 HydrophobicContact CE1-CG 3.64Å; R574-E638 IonicContact CZ-OE2 2.74Å; R574-E638 IonicContact NH1-OE1 3.56Å; R574-E638 IonicContact NH1-OE2 3.34Å; R574-E638 PolarHBondContact NH1-OE2 2.83Å; R574-E638 IonicContact NH2-OE2 3.62Å; R574-E638 PolarHBondContact NH2-OE2 3.19Å |
| 575 | Y | 77.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | trans | -97.7 | 114.6 | 174.7 | -67 | -58.9 | 0 | 0 | 0 | 109.5 | P536 L537 K539 Y552 Q573 E580 M581 Q585 | P536-Y575 HydrophobicContact CG-CD2 4.39Å; L537-Y575 PolarHBondContact O-N 3.42Å; K539-Y575 HydrophobicContact CB-CE2 3.64Å; K539-Y575 HydrophobicContact CD-CE2 4.5Å; K539-Y575 WeakPolarHBondContact CD-OH 3.19Å; Y552-Y575 HydrophobicContact CD1-CE2 4.33Å; Y552-Y575 HydrophobicContact CE1-CE2 4.11Å; Q573-Y575 HydrophobicContact CG-CE1 4.23Å; Q573-Y575 PolarHBondContact OE1-OH 3.47Å; Y575-E580 HydrophobicContact CD1-CB 4.14Å; Y575-M581 HydrophobicContact CD1-CG 3.69Å; Y575-M581 HydrophobicContact CD2-CG 4.39Å; Y575-M581 HydrophobicContact CD2-SD 4.44Å; Y575-M581 HydrophobicContact CE1-CG 3.73Å; Y575-M581 HydrophobicContact CE2-CE 4.47Å; Y575-M581 HydrophobicContact CE2-CG 4.4Å; Y575-M581 HydrophobicContact CG-CG 4.07Å; Y575-M581 HydrophobicContact CG-SD 4.4Å; Y575-Q585 PolarHBondContact OH-NE2 3.11Å | ||
| 576 | K | 66.7 | Low | 81.1 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 27% | 0.265 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -91 | -41.8 | 171.4 | -70.1 | -165.3 | 169 | -166.2 | 0 | 111.6 | A502 F814 | A502-K576 PolarHBondContact N-O 3.43Å; K576-F814 WeakPolarHBondContact CE-O 3.46Å; K576-F814 PolarHBondContact NZ-O 3.49Å |
| 577 | G | 72.8 | Confident | 81.5 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -124.7 | 150.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D501 G579 E580 | D501-G577 WeakPolarHBondContact OD2-CA 3.41Å; G577-G579 PolarHBondContact O-N 3.49Å; G577-E580 PolarHBondContact O-N 3.21Å |
| 578 | L | 80.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -59.9 | -27.6 | 177.7 | -67.6 | 171.4 | 0 | 0 | 0 | 112.4 | V427 A432 M499 T500 D501 P535 E580 M581 L586 | V427-L578 HydrophobicContact CG1-CD1 4.47Å; A432-L578 HydrophobicContact CB-CB 3.54Å; A432-L578 HydrophobicContact CB-CD1 4.35Å; M499-L578 HydrophobicContact CG-CD1 3.71Å; M499-L578 HydrophobicContact CG-CD2 4.36Å; M499-L578 WeakPolarHBondContact O-CD1 3.2Å; T500-L578 VanDerWaalsContact C-CD1 3.42Å; T500-L578 WeakPolarHBondContact O-CD1 3.36Å; D501-L578 VanDerWaalsContact OD1-CB 3.29Å; D501-L578 WeakPolarHBondContact OD1-CB 3.38Å; D501-L578 VanDerWaalsContact OD1-CG 3.3Å; D501-L578 WeakPolarHBondContact OD1-CG 3.32Å; D501-L578 PolarHBondContact OD1-N 3.4Å; P535-L578 HydrophobicContact CB-CD2 3.62Å; P535-L578 HydrophobicContact CG-CD2 3.77Å; L578-E580 PolarHBondContact O-N 2.85Å; L578-M581 WeakPolarHBondContact O-CB 3.23Å; L578-M581 PolarHBondContact O-N 3.14Å; L578-M581 VanDerWaalsContact O-N 3.15Å; L578-L586 HydrophobicContact CD2-CD1 3.92Å |
| 579 | G | 76.1 | Confident | 82.1 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -65.3 | -18.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G577 M581 | G577-G579 PolarHBondContact O-N 3.49Å; G579-M581 VanDerWaalsContact C-N 3.29Å |
| 580 | E | 79.4 | Confident | 82.5 | Confident | 103 Ų | 103 | 52 Ų | 52 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -78.3 | -16.5 | 175.7 | -64.3 | 175.4 | -168.2 | 0 | 0 | 112.6 | Y575 G577 L578 | Y575-E580 HydrophobicContact CD1-CB 4.14Å; G577-E580 PolarHBondContact O-N 3.21Å; L578-E580 PolarHBondContact O-N 2.85Å |
| 581 | M | 85.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -86.3 | 134.3 | 178.2 | -59 | 177.1 | 75.3 | 0 | 0 | 110.1 | S435 P536 Y575 L578 G579 Q585 L586 T589 | S435-M581 PolarHBondContact OG-O 3.21Å; S435-M581 VanDerWaalsContact OG-O 3.14Å; P536-M581 HydrophobicContact CG-CE 4.01Å; Y575-M581 HydrophobicContact CD1-CG 3.69Å; Y575-M581 HydrophobicContact CD2-CG 4.39Å; Y575-M581 HydrophobicContact CD2-SD 4.44Å; Y575-M581 HydrophobicContact CE1-CG 3.73Å; Y575-M581 HydrophobicContact CE2-CE 4.47Å; Y575-M581 HydrophobicContact CE2-CG 4.4Å; Y575-M581 HydrophobicContact CG-CG 4.07Å; Y575-M581 HydrophobicContact CG-SD 4.4Å; L578-M581 WeakPolarHBondContact O-CB 3.23Å; L578-M581 PolarHBondContact O-N 3.14Å; L578-M581 VanDerWaalsContact O-N 3.15Å; G579-M581 VanDerWaalsContact C-N 3.29Å; M581-Q585 HydrophobicContact CB-CB 4.35Å; M581-Q585 HydrophobicContact CE-CB 4.06Å; M581-L586 HydrophobicContact SD-CD1 4.12Å; M581-T589 VanDerWaalsContact CE-OG1 3.25Å; M581-T589 WeakPolarHBondContact CE-OG1 3.49Å |
| 582 | N | 87.3 | Confident | 83.3 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | trans | -75.4 | 170.1 | 170.1 | 76.5 | 40.4 | 0 | 0 | 0 | 110.9 | E584 Q585 L586 | N582-E584 VanDerWaalsContact C-N 3.33Å; N582-E584 PolarHBondContact O-N 3.35Å; N582-E584 PolarHBondContact OD1-N 2.95Å; N582-Q585 PolarHBondContact ND2-OE1 2.87Å; N582-Q585 PolarHBondContact O-N 3.4Å; N582-Q585 WeakPolarHBondContact OD1-CG 3.42Å; N582-Q585 PolarHBondContact OD1-N 2.91Å; N582-L586 PolarHBondContact O-N 3Å; N582-L586 VanDerWaalsContact O-N 3.07Å | ||
| 583 | A | 88.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -38.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q438 G439 W587 | Q438-A583 HydrophobicContact CB-CB 3.68Å; G439-A583 WeakPolarHBondContact CA-O 3.03Å; A583-W587 PolarHBondContact O-N 3.15Å; A583-W587 VanDerWaalsContact O-N 3.11Å |
| 584 | E | 86.9 | Confident | 83.5 | Confident | 141 Ų | 141 | 42.4 Ų | 42.4 | 66% | 0.659 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -69.1 | -44.3 | 179.9 | -67 | 176.6 | 171.6 | 0 | 0 | 110.8 | N582 L586 W587 E588 | N582-E584 VanDerWaalsContact C-N 3.33Å; N582-E584 PolarHBondContact O-N 3.35Å; N582-E584 PolarHBondContact OD1-N 2.95Å; E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.49Å; E584-W587 WeakPolarHBondContact O-CB 3.46Å; E584-W587 PolarHBondContact O-N 2.78Å; E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.36Å |
| 585 | Q | 88 | Confident | 83.7 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 179.2 | -61.7 | -176.2 | -70.3 | 0 | 0 | 112.1 | Y552 Y575 M581 N582 W587 T589 | Y552-Q585 WeakPolarHBondContact OH-CG 3.33Å; Y552-Q585 PolarHBondContact OH-NE2 3.48Å; Y575-Q585 PolarHBondContact OH-NE2 3.11Å; M581-Q585 HydrophobicContact CB-CB 4.35Å; M581-Q585 HydrophobicContact CE-CB 4.06Å; N582-Q585 PolarHBondContact ND2-OE1 2.87Å; N582-Q585 PolarHBondContact O-N 3.4Å; N582-Q585 WeakPolarHBondContact OD1-CG 3.42Å; N582-Q585 PolarHBondContact OD1-N 2.91Å; Q585-W587 VanDerWaalsContact C-N 3.34Å; Q585-T589 WeakPolarHBondContact O-CB 3.5Å; Q585-T589 WeakPolarHBondContact O-CG2 3.46Å; Q585-T589 PolarHBondContact O-N 2.76Å; Q585-T589 PolarHBondContact O-OG1 3.17Å |
| 586 | L | 88.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 178.7 | -164.5 | 70.2 | 0 | 0 | 0 | 110.8 | A436 M499 L578 M581 N582 E584 T590 M591 | A436-L586 HydrophobicContact CB-CD2 3.72Å; M499-L586 HydrophobicContact CE-CD2 4.14Å; M499-L586 HydrophobicContact SD-CD1 4.35Å; L578-L586 HydrophobicContact CD2-CD1 3.92Å; M581-L586 HydrophobicContact SD-CD1 4.12Å; N582-L586 PolarHBondContact O-N 3Å; N582-L586 VanDerWaalsContact O-N 3.07Å; E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.49Å; L586-T590 VanDerWaalsContact CD1-OG1 3.26Å; L586-T590 WeakPolarHBondContact CD1-OG1 3.33Å; L586-T590 PolarHBondContact O-N 3.11Å; L586-T590 PolarHBondContact O-OG1 3.26Å; L586-M591 HydrophobicContact CD2-SD 3.91Å; L586-M591 HydrophobicContact CG-CG 4.24Å; L586-M591 HydrophobicContact CG-SD 3.92Å; L586-M591 PolarHBondContact O-N 3.04Å |
| 587 | W | 91.1 | Very high | 85 | Confident | 61 Ų | 61 | 40.8 Ų | 40.8 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -57.5 | -60.2 | 172.3 | 176.2 | -99.6 | 0 | 0 | 0 | 111.7 | D441 A583 E584 Q585 T589 M591 D592 | D441-W587 HydrophobicContact CB-CH2 3.68Å; D441-W587 HydrophobicContact CB-CZ3 3.9Å; A583-W587 PolarHBondContact O-N 3.15Å; A583-W587 VanDerWaalsContact O-N 3.11Å; E584-W587 WeakPolarHBondContact O-CB 3.46Å; E584-W587 PolarHBondContact O-N 2.78Å; Q585-W587 VanDerWaalsContact C-N 3.34Å; W587-T589 PolarHBondContact O-N 3.05Å; W587-T589 VanDerWaalsContact O-N 3.12Å; W587-M591 HydrophobicContact CE3-CB 3.84Å; W587-M591 HydrophobicContact CZ3-CB 4.27Å; W587-M591 PolarHBondContact O-N 3.48Å; W587-D592 HydrophobicContact CD2-CB 4.06Å; W587-D592 HydrophobicContact CG-CB 4.46Å; W587-D592 HydrophobicContact CH2-CB 4.33Å; W587-D592 HydrophobicContact CZ2-CB 3.78Å; W587-D592 VanDerWaalsContact CZ2-CG 3.47Å; W587-D592 PolarHBondContact NE1-OD2 3.23Å; W587-D592 VanDerWaalsContact O-CB 3.28Å; W587-D592 WeakPolarHBondContact O-CB 3.48Å; W587-D592 PolarHBondContact O-N 2.91Å |
| 588 | E | 85.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -58.5 | -29.1 | -173.6 | -71.9 | 174.1 | 174.2 | 0 | 0 | 113.8 | E584 Y595 | E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.36Å; E588-Y595 WeakPolarHBondContact O-CB 3.5Å |
| 589 | T | 85.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -108.1 | -31.4 | -169.9 | 60 | 0 | 0 | 0 | 0 | 114.4 | P536 Y552 M581 Q585 W587 | P536-T589 HydrophobicContact CG-CG2 3.99Å; Y552-T589 HydrophobicContact CD1-CG2 4.02Å; Y552-T589 HydrophobicContact CD2-CG2 3.57Å; Y552-T589 HydrophobicContact CE1-CG2 4Å; Y552-T589 HydrophobicContact CE2-CG2 3.55Å; Y552-T589 HydrophobicContact CG-CG2 3.81Å; M581-T589 VanDerWaalsContact CE-OG1 3.25Å; M581-T589 WeakPolarHBondContact CE-OG1 3.49Å; Q585-T589 WeakPolarHBondContact O-CB 3.5Å; Q585-T589 WeakPolarHBondContact O-CG2 3.46Å; Q585-T589 PolarHBondContact O-N 2.76Å; Q585-T589 PolarHBondContact O-OG1 3.17Å; W587-T589 PolarHBondContact O-N 3.05Å; W587-T589 VanDerWaalsContact O-N 3.12Å |
| 590 | T | 87.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -128.4 | -24.4 | -170.7 | 48.3 | 0 | 0 | 0 | 0 | 115.4 | P535 L586 R596 | P535-T590 HydrophobicContact CB-CG2 3.71Å; L586-T590 VanDerWaalsContact CD1-OG1 3.26Å; L586-T590 WeakPolarHBondContact CD1-OG1 3.33Å; L586-T590 PolarHBondContact O-N 3.11Å; L586-T590 PolarHBondContact O-OG1 3.26Å; T590-R596 WeakPolarHBondContact O-CB 3.13Å; T590-R596 WeakPolarHBondContact O-CD 3.38Å |
| 591 | M | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -108.7 | -32.5 | -171.5 | -52.8 | -177.3 | 70.3 | 0 | 0 | 113.2 | F425 A436 R440 Q445 I447 M499 L586 W587 P593 R596 | F425-M591 HydrophobicContact CD2-CE 4.32Å; F425-M591 HydrophobicContact CE1-CG 4.23Å; F425-M591 HydrophobicContact CE2-CE 4.33Å; F425-M591 HydrophobicContact CG-CE 4.45Å; F425-M591 HydrophobicContact CZ-CB 4.25Å; F425-M591 HydrophobicContact CZ-CE 4.45Å; F425-M591 HydrophobicContact CZ-CG 4.38Å; A436-M591 HydrophobicContact CB-CE 4.18Å; A436-M591 HydrophobicContact CB-SD 4.11Å; R440-M591 HydrophobicContact CB-CE 3.47Å; R440-M591 VanDerWaalsContact CB-CE 3.47Å; Q445-M591 PolarHBondContact NE2-O 3.41Å; I447-M591 HydrophobicContact CD1-CE 3.61Å; M499-M591 HydrophobicContact SD-CG 4.31Å; L586-M591 HydrophobicContact CD2-SD 3.91Å; L586-M591 HydrophobicContact CG-CG 4.24Å; L586-M591 HydrophobicContact CG-SD 3.92Å; L586-M591 PolarHBondContact O-N 3.04Å; W587-M591 HydrophobicContact CE3-CB 3.84Å; W587-M591 HydrophobicContact CZ3-CB 4.27Å; W587-M591 PolarHBondContact O-N 3.48Å; M591-P593 WeakPolarHBondContact O-CD 3.44Å; M591-R596 PolarHBondContact O-NH1 3.04Å; M591-R596 VanDerWaalsContact O-NH1 3.1Å |
| 592 | D | 89.5 | Confident | 87.9 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | trans | -65.5 | 118.1 | 178.8 | -165.7 | -25 | 0 | 0 | 0 | 110.4 | W587 E594 Y595 R596 | W587-D592 HydrophobicContact CD2-CB 4.06Å; W587-D592 HydrophobicContact CG-CB 4.46Å; W587-D592 HydrophobicContact CH2-CB 4.33Å; W587-D592 HydrophobicContact CZ2-CB 3.78Å; W587-D592 VanDerWaalsContact CZ2-CG 3.47Å; W587-D592 PolarHBondContact NE1-OD2 3.23Å; W587-D592 VanDerWaalsContact O-CB 3.28Å; W587-D592 WeakPolarHBondContact O-CB 3.48Å; W587-D592 PolarHBondContact O-N 2.91Å; D592-E594 PolarHBondContact O-N 2.91Å; D592-E594 VanDerWaalsContact O-N 3.15Å; D592-E594 PolarHBondContact OD1-N 3.48Å; D592-Y595 HydrophobicContact CB-CD2 4.28Å; D592-Y595 PolarHBondContact O-N 3.39Å; D592-R596 VanDerWaalsContact O-CB 3.23Å; D592-R596 WeakPolarHBondContact O-CB 3.36Å; D592-R596 WeakPolarHBondContact O-CD 3.36Å; D592-R596 WeakPolarHBondContact O-CG 3.44Å; D592-R596 PolarHBondContact O-N 2.96Å | ||
| 593 | P | 87.5 | Confident | 87.8 | Confident | 35 Ų | 35 | 38.3 Ų | 38.3 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -33.9 | 174.8 | -26.1 | 35.5 | 0 | 0 | 0 | 113.9 | F444 M591 Y595 H671 | F444-P593 HydrophobicContact CE2-CG 4.08Å; F444-P593 HydrophobicContact CZ-CG 3.76Å; M591-P593 WeakPolarHBondContact O-CD 3.44Å; P593-Y595 PolarHBondContact O-N 2.96Å; P593-H671 PolarHBondContact O-CD2 3.06Å |
| 594 | E | 81.4 | Confident | 87.4 | Confident | 118 Ų | 118 | 41.3 Ų | 41.3 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.2 | -174.9 | -68.3 | -177.6 | -177.7 | 0 | 0 | 114 | D592 | D592-E594 PolarHBondContact O-N 2.91Å; D592-E594 VanDerWaalsContact O-N 3.15Å; D592-E594 PolarHBondContact OD1-N 3.48Å |
| 595 | Y | 82 | Confident | 87 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 34% | 0.337 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -15.7 | -169.9 | -58.5 | -77.6 | 0 | 0 | 0 | 114.7 | E588 D592 P593 M667 | E588-Y595 WeakPolarHBondContact O-CB 3.5Å; D592-Y595 HydrophobicContact CB-CD2 4.28Å; D592-Y595 PolarHBondContact O-N 3.39Å; P593-Y595 PolarHBondContact O-N 2.96Å; Y595-M667 HydrophobicContact CE1-SD 4.08Å |
| 596 | R | 87.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | trans | -74.9 | 152.5 | -176 | 72.9 | -170.6 | 176.8 | -172.5 | -2.2 | 112.6 | E423 T590 M591 D592 L598 | E423-R596 IonicContact OE1-CZ 2.82Å; E423-R596 IonicContact OE1-NH1 2.88Å; E423-R596 IonicContact OE1-NH2 2.94Å; E423-R596 PolarHBondContact OE1-NH2 3.26Å; E423-R596 IonicContact OE2-CZ 2.9Å; E423-R596 IonicContact OE2-NH1 3.2Å; E423-R596 PolarHBondContact OE2-NH1 3.29Å; E423-R596 IonicContact OE2-NH2 3.53Å; E423-R596 PolarHBondContact OE2-NH2 3.35Å; T590-R596 WeakPolarHBondContact O-CB 3.13Å; T590-R596 WeakPolarHBondContact O-CD 3.38Å; M591-R596 PolarHBondContact O-NH1 3.04Å; M591-R596 VanDerWaalsContact O-NH1 3.1Å; D592-R596 VanDerWaalsContact O-CB 3.23Å; D592-R596 WeakPolarHBondContact O-CB 3.36Å; D592-R596 WeakPolarHBondContact O-CD 3.36Å; D592-R596 WeakPolarHBondContact O-CG 3.44Å; D592-R596 PolarHBondContact O-N 2.96Å; R596-L598 HydrophobicContact CG-CG 4.26Å | ||
| 597 | T | 83.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.5 | 168 | -59.9 | 0 | 0 | 0 | 0 | 109.9 | L534 | L534-T597 HydrophobicContact CD1-CG2 4.16Å; L534-T597 PolarHBondContact N-O 2.73Å |
| 598 | L | 89.8 | Confident | 85 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.8 | 176.8 | -62.7 | -178.4 | 0 | 0 | 0 | 110.8 | I497 Y531 I532 A533 R596 S672 I673 Q674 | I497-L598 HydrophobicContact CD1-CD1 4.23Å; I497-L598 HydrophobicContact CG2-CD2 3.94Å; Y531-L598 HydrophobicContact CD1-CB 4.09Å; Y531-L598 HydrophobicContact CD1-CD1 4.06Å; Y531-L598 HydrophobicContact CG-CD1 4.34Å; I532-L598 WeakPolarHBondContact O-CA 3.28Å; A533-L598 HydrophobicContact CB-CD2 4Å; R596-L598 HydrophobicContact CG-CG 4.26Å; L598-S672 PolarHBondContact N-O 3.01Å; L598-I673 CarbonylContact O-C 3.33Å; L598-I673 WeakPolarHBondContact O-CA 3.43Å; L598-Q674 PolarHBondContact O-N 3.1Å |
| 599 | V | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.1 | 169.1 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | Y531 I532 L534 L642 Q674 L676 V681 | Y531-V599 CarbonylContact C-O 3.59Å; Y531-V599 WeakPolarHBondContact CA-O 3.23Å; I532-V599 HydrophobicContact CB-CB 4.26Å; I532-V599 PolarHBondContact N-O 3.41Å; I532-V599 PolarHBondContact O-N 2.97Å; L534-V599 HydrophobicContact CD1-CG2 3.73Å; L534-V599 HydrophobicContact CD2-CG2 4.36Å; L534-V599 HydrophobicContact CG-CG2 4.06Å; V599-L642 HydrophobicContact CB-CD2 4.35Å; V599-L642 HydrophobicContact CG1-CD2 4.18Å; V599-L642 HydrophobicContact CG2-CD2 3.47Å; V599-L642 VanDerWaalsContact CG2-CD2 3.47Å; V599-Q674 CarbonylContact C-O 3.46Å; V599-Q674 WeakPolarHBondContact CA-O 3.26Å; V599-Q674 HydrophobicContact CG2-CB 4.49Å; V599-L676 HydrophobicContact CG1-CB 3.99Å; V599-L676 HydrophobicContact CG1-CD1 3.74Å; V599-L676 HydrophobicContact CG1-CG 4.06Å; V599-V681 HydrophobicContact CG1-CG2 4.32Å |
| 600 | R | 93.7 | Very high | 84.7 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.2 | 171.8 | -177.5 | 164.8 | 70 | -178.8 | 1.9 | 109.3 | G528 Y531 I673 Q674 E675 L676 | G528-R600 WeakPolarHBondContact O-CD 3.39Å; Y531-R600 HydrophobicContact CD1-CB 3.84Å; Y531-R600 HydrophobicContact CD1-CG 4.29Å; Y531-R600 HydrophobicContact CE1-CB 3.65Å; Y531-R600 HydrophobicContact CE1-CG 3.83Å; R600-I673 HydrophobicContact CB-CG2 3.83Å; R600-Q674 PolarHBondContact N-O 3.22Å; R600-E675 IonicContact CZ-OE1 3.61Å; R600-E675 VanDerWaalsContact CZ-OE1 3.24Å; R600-E675 IonicContact NE-OE1 3.24Å; R600-E675 PolarHBondContact NE-OE1 2.95Å; R600-E675 VanDerWaalsContact NE-OE1 3.13Å; R600-E675 IonicContact NH2-OE1 3.61Å; R600-E675 PolarHBondContact NH2-OE1 2.91Å; R600-L676 PolarHBondContact O-N 2.92Å; R600-L676 VanDerWaalsContact O-N 3.12Å |
| 601 | V | 93.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.2 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | L514 I525 V530 I532 L676 L678 V681 | L514-V601 HydrophobicContact CD2-CB 4.41Å; L514-V601 HydrophobicContact CD2-CG1 4.17Å; L514-V601 HydrophobicContact CD2-CG2 4.01Å; I525-V601 HydrophobicContact CG2-CG1 4.2Å; I525-V601 WeakPolarHBondContact CG2-O 3.47Å; V530-V601 PolarHBondContact O-N 2.96Å; I532-V601 HydrophobicContact CD1-CG2 4.03Å; I532-V601 HydrophobicContact CG1-CG2 4.26Å; V601-L676 WeakPolarHBondContact CA-O 3.48Å; V601-L678 HydrophobicContact CG1-CB 3.91Å; V601-L678 HydrophobicContact CG1-CD1 3.88Å; V601-V681 HydrophobicContact CG2-CG2 4.48Å |
| 602 | R | 89 | Confident | 84.1 | Confident | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 167.9 | 177.1 | -55.7 | -162.4 | -43.5 | -139.8 | -2.2 | 112.9 | D604 E675 L676 T677 L678 | R602-D604 IonicContact CZ-OD1 2.7Å; R602-D604 IonicContact CZ-OD2 3.91Å; R602-D604 IonicContact NE-OD1 2.81Å; R602-D604 PolarHBondContact NE-OD1 2.73Å; R602-D604 IonicContact NH2-OD1 2.8Å; R602-D604 PolarHBondContact NH2-OD1 2.86Å; R602-D604 VanDerWaalsContact NH2-OD1 3.16Å; R602-D604 IonicContact NH2-OD2 3.66Å; R602-D604 PolarHBondContact NH2-OD2 2.74Å; R602-E675 WeakPolarHBondContact CD-OE1 3.5Å; R602-E675 IonicContact CZ-OE1 3.92Å; R602-E675 IonicContact CZ-OE2 2.65Å; R602-E675 IonicContact NH1-OE1 3.91Å; R602-E675 PolarHBondContact NH1-OE1 2.86Å; R602-E675 IonicContact NH1-OE2 2.66Å; R602-E675 PolarHBondContact NH1-OE2 3.27Å; R602-L676 PolarHBondContact N-O 2.85Å; R602-T677 CarbonylContact O-C 3.57Å; R602-L678 WeakPolarHBondContact O-CB 3.06Å; R602-L678 PolarHBondContact O-N 2.93Å |
| 603 | I | 85.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 44 Ų | 44 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -119.7 | 106.2 | 169.4 | -62.1 | 164.2 | 0 | 0 | 0 | 106.6 | Y518 K522 I525 E526 A606 A609 L678 | Y518-I603 HydrophobicContact CD2-CD1 3.81Å; Y518-I603 HydrophobicContact CE2-CD1 3.99Å; K522-I603 HydrophobicContact CG-CD1 3.86Å; I525-I603 HydrophobicContact CB-CD1 3.96Å; I525-I603 HydrophobicContact CB-CG1 4.41Å; I525-I603 HydrophobicContact CD1-CD1 4.44Å; I525-I603 HydrophobicContact CG2-CD1 3.85Å; I525-I603 HydrophobicContact CG2-CG1 3.74Å; E526-I603 HydrophobicContact CG-CD1 4.23Å; I603-A606 HydrophobicContact CG2-CB 4.27Å; I603-A609 HydrophobicContact CG2-CB 4.23Å; I603-L678 HydrophobicContact CD1-CD2 4.41Å; I603-L678 HydrophobicContact CG1-CB 4.29Å; I603-L678 HydrophobicContact CG1-CD2 4.14Å | ||
| 604 | D | 79.3 | Confident | 84 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -90.4 | -37.8 | 177.7 | -68.7 | 5.7 | 0 | 0 | 0 | 109.9 | R602 T677 | R602-D604 IonicContact CZ-OD1 2.7Å; R602-D604 IonicContact CZ-OD2 3.91Å; R602-D604 IonicContact NE-OD1 2.81Å; R602-D604 PolarHBondContact NE-OD1 2.73Å; R602-D604 IonicContact NH2-OD1 2.8Å; R602-D604 PolarHBondContact NH2-OD1 2.86Å; R602-D604 VanDerWaalsContact NH2-OD1 3.16Å; R602-D604 IonicContact NH2-OD2 3.66Å; R602-D604 PolarHBondContact NH2-OD2 2.74Å; D604-T677 HydrophobicContact CB-CG2 4.12Å |
| 605 | D | 77.1 | Confident | 84.2 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | trans | -125.4 | 116.7 | 168.4 | -162.3 | -34.3 | 0 | 0 | 0 | 111.9 | A607 Q608 A609 E679 | D605-A607 VanDerWaalsContact C-N 3.3Å; D605-A607 PolarHBondContact O-N 2.79Å; D605-A607 WeakPolarHBondContact OD1-CB 3.42Å; D605-A607 PolarHBondContact OD1-N 3.34Å; D605-Q608 HydrophobicContact CB-CB 4.12Å; D605-Q608 HydrophobicContact CB-CG 4.06Å; D605-A609 VanDerWaalsContact O-CB 3.25Å; D605-A609 WeakPolarHBondContact O-CB 3.38Å; D605-A609 PolarHBondContact O-N 2.85Å; D605-A609 VanDerWaalsContact O-N 3.09Å; D605-E679 VanDerWaalsContact O-OE1 3.06Å | ||
| 606 | A | 77.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 35.7 Ų | 35.7 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.2 | -29.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y518 I603 E610 | Y518-A606 PolarHBondContact OH-O 2.9Å; I603-A606 HydrophobicContact CG2-CB 4.27Å; A606-E610 VanDerWaalsContact O-CB 3.25Å; A606-E610 WeakPolarHBondContact O-CB 3.48Å; A606-E610 PolarHBondContact O-N 2.98Å |
| 607 | A | 73 | Confident | 84.6 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 24% | 0.24 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.4 | -42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D605 E610 R611 | D605-A607 VanDerWaalsContact C-N 3.3Å; D605-A607 PolarHBondContact O-N 2.79Å; D605-A607 WeakPolarHBondContact OD1-CB 3.42Å; D605-A607 PolarHBondContact OD1-N 3.34Å; A607-E610 WeakPolarHBondContact O-CB 3.35Å; A607-E610 PolarHBondContact O-N 3.26Å; A607-R611 WeakPolarHBondContact O-CB 3.27Å; A607-R611 PolarHBondContact O-N 3.08Å |
| 608 | Q | 74.5 | Confident | 84.7 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.5 | -40.8 | 175 | -61.1 | -172.7 | 6.6 | 0 | 0 | 111.1 | E188 D605 E610 R611 R612 E679 | E188-Q608 PolarHBondContact OE2-NE2 2.99Å; D605-Q608 HydrophobicContact CB-CB 4.12Å; D605-Q608 HydrophobicContact CB-CG 4.06Å; Q608-E610 VanDerWaalsContact C-N 3.35Å; Q608-E610 PolarHBondContact O-N 3.1Å; Q608-R611 PolarHBondContact O-N 3.39Å; Q608-R612 WeakPolarHBondContact O-CB 3.32Å; Q608-R612 PolarHBondContact O-N 3.02Å; Q608-E679 HydrophobicContact CB-CG 4.42Å; Q608-E679 VanDerWaalsContact CB-OE1 3.28Å; Q608-E679 WeakPolarHBondContact CB-OE1 3.39Å; Q608-E679 WeakPolarHBondContact CB-OE2 3.26Å; Q608-E679 PolarHBondContact OE1-OE2 3.17Å; Q608-E679 VanDerWaalsContact OE1-OE2 3.06Å |
| 609 | A | 82 | Confident | 84.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y518 I603 D605 R612 V613 L678 E679 | Y518-A609 HydrophobicContact CE2-CB 3.91Å; I603-A609 HydrophobicContact CG2-CB 4.23Å; D605-A609 VanDerWaalsContact O-CB 3.25Å; D605-A609 WeakPolarHBondContact O-CB 3.38Å; D605-A609 PolarHBondContact O-N 2.85Å; D605-A609 VanDerWaalsContact O-N 3.09Å; A609-R612 PolarHBondContact O-N 3.39Å; A609-V613 WeakPolarHBondContact O-CB 3.46Å; A609-V613 VanDerWaalsContact O-CG2 3.27Å; A609-V613 WeakPolarHBondContact O-CG2 3.17Å; A609-V613 PolarHBondContact O-N 2.93Å; A609-L678 HydrophobicContact CB-CD2 4.21Å; A609-E679 VanDerWaalsContact CA-CG 3.45Å; A609-E679 WeakPolarHBondContact CA-OE1 3.38Å; A609-E679 HydrophobicContact CB-CG 4.09Å; A609-E679 PolarHBondContact N-OE1 2.99Å |
| 610 | E | 83.4 | Confident | 83.7 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -51.8 | 174.8 | -175.8 | 65.7 | -164.6 | 0 | 0 | 111.2 | S263 Y518 R519 A606 A607 Q608 R612 V613 T614 | S263-E610 PolarHBondContact OG-OE1 3.31Å; Y518-E610 WeakPolarHBondContact CE1-OE2 3.33Å; Y518-E610 WeakPolarHBondContact OH-CA 3.34Å; Y518-E610 WeakPolarHBondContact OH-CB 3.5Å; Y518-E610 PolarHBondContact OH-N 2.96Å; Y518-E610 PolarHBondContact OH-OE2 2.89Å; R519-E610 IonicContact CZ-OE1 3.69Å; R519-E610 IonicContact CZ-OE2 2.93Å; R519-E610 IonicContact NH1-OE1 3.21Å; R519-E610 PolarHBondContact NH1-OE1 3.32Å; R519-E610 IonicContact NH1-OE2 3.73Å; R519-E610 PolarHBondContact NH1-OE2 3.48Å; R519-E610 IonicContact NH2-OE1 3.69Å; R519-E610 PolarHBondContact NH2-OE1 3.36Å; R519-E610 VanDerWaalsContact NH2-OE1 3.07Å; R519-E610 IonicContact NH2-OE2 2.73Å; A606-E610 VanDerWaalsContact O-CB 3.25Å; A606-E610 WeakPolarHBondContact O-CB 3.48Å; A606-E610 PolarHBondContact O-N 2.98Å; A607-E610 WeakPolarHBondContact O-CB 3.35Å; A607-E610 PolarHBondContact O-N 3.26Å; Q608-E610 VanDerWaalsContact C-N 3.35Å; Q608-E610 PolarHBondContact O-N 3.1Å; E610-R612 VanDerWaalsContact C-N 3.33Å; E610-R612 PolarHBondContact O-N 3.1Å; E610-V613 PolarHBondContact O-N 3.01Å; E610-T614 WeakPolarHBondContact O-CB 3.43Å; E610-T614 PolarHBondContact O-N 3.1Å; E610-T614 PolarHBondContact O-OG1 3.34Å |
| 611 | R | 79.9 | Confident | 83.1 | Confident | 140 Ų | 140 | 42.8 Ų | 42.8 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -43.3 | -179.1 | -172.3 | 179.9 | -174.9 | 178.8 | 6.3 | 111.3 | A607 Q608 T615 | A607-R611 WeakPolarHBondContact O-CB 3.27Å; A607-R611 PolarHBondContact O-N 3.08Å; Q608-R611 PolarHBondContact O-N 3.39Å; R611-T615 VanDerWaalsContact O-CB 3.25Å; R611-T615 WeakPolarHBondContact O-CB 3.49Å; R611-T615 PolarHBondContact O-N 3.21Å; R611-T615 PolarHBondContact O-OG1 2.73Å |
| 612 | R | 86.6 | Confident | 82.5 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 179.4 | -168.1 | 71.4 | 61.3 | -163.2 | -0 | 111.1 | Q608 A609 E610 T614 T615 L616 W627 E679 M682 | Q608-R612 WeakPolarHBondContact O-CB 3.32Å; Q608-R612 PolarHBondContact O-N 3.02Å; A609-R612 PolarHBondContact O-N 3.39Å; E610-R612 VanDerWaalsContact C-N 3.33Å; E610-R612 PolarHBondContact O-N 3.1Å; R612-T614 PolarHBondContact O-N 3.07Å; R612-T615 PolarHBondContact O-N 2.6Å; R612-L616 HydrophobicContact CG-CD1 3.91Å; R612-L616 HydrophobicContact CG-CG 4.44Å; R612-L616 WeakPolarHBondContact O-CB 3.38Å; R612-L616 VanDerWaalsContact O-CG 3.32Å; R612-L616 WeakPolarHBondContact O-CG 3.43Å; R612-L616 PolarHBondContact O-N 3.03Å; R612-W627 VanDerWaalsContact NH1-CD1 3.26Å; R612-E679 HydrophobicContact CB-CB 4.37Å; R612-E679 HydrophobicContact CB-CG 3.99Å; R612-E679 HydrophobicContact CG-CB 4.26Å; R612-E679 HydrophobicContact CG-CG 4.42Å; R612-M682 HydrophobicContact CG-CB 4.3Å |
| 613 | V | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | T515 Y518 A609 E610 T615 M617 L678 M682 | T515-V613 HydrophobicContact CG2-CG1 4.04Å; Y518-V613 HydrophobicContact CD1-CB 4.14Å; Y518-V613 HydrophobicContact CD1-CG1 4.08Å; Y518-V613 HydrophobicContact CD1-CG2 3.73Å; Y518-V613 HydrophobicContact CE1-CB 4.25Å; Y518-V613 HydrophobicContact CE1-CG1 4.47Å; Y518-V613 HydrophobicContact CE1-CG2 4.11Å; Y518-V613 HydrophobicContact CG-CG2 4.21Å; A609-V613 WeakPolarHBondContact O-CB 3.46Å; A609-V613 VanDerWaalsContact O-CG2 3.27Å; A609-V613 WeakPolarHBondContact O-CG2 3.17Å; A609-V613 PolarHBondContact O-N 2.93Å; E610-V613 PolarHBondContact O-N 3.01Å; V613-T615 PolarHBondContact O-N 2.88Å; V613-M617 WeakPolarHBondContact O-CA 3.32Å; V613-M617 VanDerWaalsContact O-CB 3.24Å; V613-M617 WeakPolarHBondContact O-CB 3.34Å; V613-M617 PolarHBondContact O-N 3.43Å; V613-L678 HydrophobicContact CG2-CD2 4.5Å; V613-M682 HydrophobicContact CB-CE 4.36Å; V613-M682 HydrophobicContact CG2-CE 3.82Å |
| 614 | T | 84.8 | Confident | 82.3 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.7 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | E458 R519 E610 R612 G618 | E458-T614 PolarHBondContact OE1-OG1 2.92Å; R519-T614 PolarHBondContact NH2-OG1 3.49Å; E610-T614 WeakPolarHBondContact O-CB 3.43Å; E610-T614 PolarHBondContact O-N 3.1Å; E610-T614 PolarHBondContact O-OG1 3.34Å; R612-T614 PolarHBondContact O-N 3.07Å; T614-G618 WeakPolarHBondContact O-CA 3.19Å; T614-G618 PolarHBondContact O-N 3.3Å |
| 615 | T | 86.3 | Confident | 82.5 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | R611 R612 V613 P623 R624 W627 | R611-T615 VanDerWaalsContact O-CB 3.25Å; R611-T615 WeakPolarHBondContact O-CB 3.49Å; R611-T615 PolarHBondContact O-N 3.21Å; R611-T615 PolarHBondContact O-OG1 2.73Å; R612-T615 PolarHBondContact O-N 2.6Å; V613-T615 PolarHBondContact O-N 2.88Å; T615-P623 HydrophobicContact CG2-CB 4.1Å; T615-R624 WeakPolarHBondContact O-CB 3.33Å; T615-W627 HydrophobicContact CG2-CB 4.05Å; T615-W627 HydrophobicContact CG2-CG 4.48Å |
| 616 | L | 89.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -80.5 | -37.1 | -174.1 | -57.4 | -177.3 | 0 | 0 | 0 | 112 | R612 R624 W627 M682 F686 | R612-L616 HydrophobicContact CG-CD1 3.91Å; R612-L616 HydrophobicContact CG-CG 4.44Å; R612-L616 WeakPolarHBondContact O-CB 3.38Å; R612-L616 VanDerWaalsContact O-CG 3.32Å; R612-L616 WeakPolarHBondContact O-CG 3.43Å; R612-L616 PolarHBondContact O-N 3.03Å; L616-R624 PolarHBondContact O-NE 2.82Å; L616-R624 PolarHBondContact O-NH2 2.84Å; L616-W627 HydrophobicContact CD2-CB 4.43Å; L616-W627 HydrophobicContact CD2-CD2 3.44Å; L616-W627 VanDerWaalsContact CD2-CD2 3.44Å; L616-W627 HydrophobicContact CD2-CE3 3.41Å; L616-W627 VanDerWaalsContact CD2-CE3 3.41Å; L616-W627 HydrophobicContact CD2-CG 3.88Å; L616-W627 HydrophobicContact CD2-CH2 4.48Å; L616-W627 HydrophobicContact CD2-CZ2 4.49Å; L616-W627 HydrophobicContact CD2-CZ3 3.97Å; L616-M682 HydrophobicContact CD1-CB 4.35Å; L616-F686 HydrophobicContact CB-CD1 4.2Å; L616-F686 HydrophobicContact CB-CD2 4.16Å; L616-F686 HydrophobicContact CB-CE1 4.34Å; L616-F686 HydrophobicContact CB-CE2 4.29Å; L616-F686 HydrophobicContact CB-CG 4.11Å; L616-F686 HydrophobicContact CB-CZ 4.38Å; L616-F686 HydrophobicContact CD1-CB 3.9Å; L616-F686 HydrophobicContact CD1-CD1 4.26Å; L616-F686 HydrophobicContact CD1-CG 4.09Å; L616-F686 HydrophobicContact CD2-CD1 3.68Å; L616-F686 HydrophobicContact CD2-CE1 3.92Å; L616-F686 HydrophobicContact CD2-CG 4.3Å; L616-F686 HydrophobicContact CG-CD1 4.24Å; L616-F686 HydrophobicContact CG-CG 4.38Å; L616-F686 WeakPolarHBondContact O-CE2 3.23Å; L616-F686 WeakPolarHBondContact O-CZ 3.28Å |
| 617 | M | 88.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -109.6 | -13.3 | -169.4 | -55.4 | -57.7 | -75.8 | 0 | 0 | 114.2 | N456 E458 K459 V511 L512 T515 V613 M682 F686 | N456-M617 HydrophobicContact CB-CE 4.5Å; N456-M617 PolarHBondContact ND2-O 2.94Å; E458-M617 HydrophobicContact CB-CB 3.83Å; E458-M617 HydrophobicContact CG-CB 4.06Å; K459-M617 VanDerWaalsContact CE-O 3.23Å; K459-M617 WeakPolarHBondContact CE-O 3.32Å; K459-M617 VanDerWaalsContact CG-O 3.28Å; K459-M617 WeakPolarHBondContact CG-O 3.48Å; V511-M617 HydrophobicContact CG1-CE 3.78Å; V511-M617 HydrophobicContact CG1-CG 4.11Å; V511-M617 HydrophobicContact CG1-SD 3.38Å; V511-M617 WeakPolarHBondContact CG1-SD 3.41Å; L512-M617 HydrophobicContact CD2-CE 3.56Å; L512-M617 HydrophobicContact CG-CE 4.21Å; T515-M617 HydrophobicContact CG2-CB 4.25Å; T515-M617 HydrophobicContact CG2-CG 4.36Å; T515-M617 WeakPolarHBondContact OG1-CG 3.38Å; V613-M617 WeakPolarHBondContact O-CA 3.32Å; V613-M617 VanDerWaalsContact O-CB 3.24Å; V613-M617 WeakPolarHBondContact O-CB 3.34Å; V613-M617 PolarHBondContact O-N 3.43Å; M617-M682 HydrophobicContact CG-CE 3.78Å; M617-F686 HydrophobicContact SD-CD2 4.06Å; M617-F686 HydrophobicContact SD-CE2 3.97Å |
| 618 | G | 84.7 | Confident | 83.7 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -76.2 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K459 T614 R624 | K459-G618 WeakPolarHBondContact CE-O 3.43Å; K459-G618 PolarHBondContact NZ-O 3.44Å; T614-G618 WeakPolarHBondContact O-CA 3.19Å; T614-G618 PolarHBondContact O-N 3.3Å; G618-R624 PolarHBondContact O-NH2 3.43Å |
| 619 | D | 80.6 | Confident | 84.1 | Confident | 111 Ų | 111 | 49.1 Ų | 49.1 | 59% | 0.594 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -74.3 | -25.8 | -172.5 | -77 | -39.3 | 0 | 0 | 0 | 115 | K459 V621 | K459-D619 WeakPolarHBondContact CD-OD1 3.34Å; K459-D619 WeakPolarHBondContact CE-OD1 3.23Å; K459-D619 VanDerWaalsContact CG-OD1 3.23Å; K459-D619 WeakPolarHBondContact CG-OD1 3.34Å; K459-D619 IonicContact NZ-OD1 2.72Å; K459-D619 PolarHBondContact NZ-OD1 2.78Å; D619-V621 PolarHBondContact O-N 3.09Å |
| 620 | K | 78.6 | Confident | 83.8 | Confident | 71 Ų | 71 | 53 Ų | 53 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | trans | -72.4 | 127.9 | -179.2 | -60.4 | -167.6 | -179.7 | -172.4 | 0 | 111.3 | D233 D235 P623 | D233-K620 WeakPolarHBondContact O-CD 3.41Å; D233-K620 WeakPolarHBondContact O-CE 3.18Å; D233-K620 PolarHBondContact O-NZ 3.47Å; D235-K620 WeakPolarHBondContact OD1-CE 3.35Å; D235-K620 IonicContact OD1-NZ 2.73Å; D235-K620 PolarHBondContact OD1-NZ 3.24Å; K620-P623 HydrophobicContact CB-CG 4.1Å | ||
| 621 | V | 81.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -88.3 | -34.8 | -175.1 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | D619 R624 R625 G842 | D619-V621 PolarHBondContact O-N 3.09Å; V621-R624 WeakPolarHBondContact O-CB 3.26Å; V621-R624 PolarHBondContact O-N 3.45Å; V621-R625 WeakPolarHBondContact O-CB 3.18Å; V621-R625 PolarHBondContact O-N 2.97Å; V621-G842 WeakPolarHBondContact CG1-O 3.32Å |
| 622 | E | 81.5 | Confident | 83.4 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.4 | -49.1 | -174.2 | -75 | 71.8 | -171.6 | 0 | 0 | 113.6 | R624 R625 K626 | E622-R624 VanDerWaalsContact C-N 3.3Å; E622-R624 PolarHBondContact O-N 3.5Å; E622-R625 PolarHBondContact O-N 3.2Å; E622-K626 PolarHBondContact O-N 3.31Å |
| 623 | P | 83.2 | Confident | 82.8 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.3 | -23.6 | 35.3 | 0 | 0 | 0 | 112 | D233 T615 K620 R625 K626 W627 | D233-P623 HydrophobicContact CB-CG 4.38Å; T615-P623 HydrophobicContact CG2-CB 4.1Å; K620-P623 HydrophobicContact CB-CG 4.1Å; P623-R625 PolarHBondContact O-N 3.41Å; P623-K626 PolarHBondContact O-N 3.2Å; P623-W627 WeakPolarHBondContact O-CB 3.29Å; P623-W627 PolarHBondContact O-N 2.82Å |
| 624 | R | 87.6 | Confident | 82.1 | Confident | 27 Ų | 27 | 57 Ų | 57 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.8 | -174.5 | -170.5 | -63.9 | -165.3 | -7.7 | 111.9 | T615 L616 G618 V621 E622 W627 I628 F686 | T615-R624 WeakPolarHBondContact O-CB 3.33Å; L616-R624 PolarHBondContact O-NE 2.82Å; L616-R624 PolarHBondContact O-NH2 2.84Å; G618-R624 PolarHBondContact O-NH2 3.43Å; V621-R624 WeakPolarHBondContact O-CB 3.26Å; V621-R624 PolarHBondContact O-N 3.45Å; E622-R624 VanDerWaalsContact C-N 3.3Å; E622-R624 PolarHBondContact O-N 3.5Å; R624-W627 WeakPolarHBondContact O-CB 3.17Å; R624-W627 PolarHBondContact O-N 2.99Å; R624-I628 HydrophobicContact CG-CD1 4.21Å; R624-I628 WeakPolarHBondContact O-CG1 3.26Å; R624-I628 PolarHBondContact O-N 2.76Å; R624-F686 HydrophobicContact CG-CE1 4.01Å; R624-F686 HydrophobicContact CG-CZ 4.02Å |
| 625 | R | 83.4 | Confident | 81.3 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 177.8 | 178.8 | 179 | 167.4 | 149.6 | 3.5 | 111.1 | V621 E622 P623 W627 I628 E629 Y843 | V621-R625 WeakPolarHBondContact O-CB 3.18Å; V621-R625 PolarHBondContact O-N 2.97Å; E622-R625 PolarHBondContact O-N 3.2Å; P623-R625 PolarHBondContact O-N 3.41Å; R625-W627 VanDerWaalsContact C-N 3.25Å; R625-W627 PolarHBondContact O-N 3.18Å; R625-I628 PolarHBondContact O-N 3.19Å; R625-I628 VanDerWaalsContact O-N 3.15Å; R625-E629 HydrophobicContact CG-CG 4.41Å; R625-E629 IonicContact CZ-OE1 2.72Å; R625-E629 IonicContact NE-OE1 3.17Å; R625-E629 PolarHBondContact NE-OE1 2.71Å; R625-E629 IonicContact NH2-OE1 3.68Å; R625-E629 PolarHBondContact NH2-OE1 2.67Å; R625-E629 VanDerWaalsContact NH2-OE1 3.07Å; R625-E629 WeakPolarHBondContact O-CG 3.25Å; R625-E629 PolarHBondContact O-N 3.15Å; R625-Y843 HydrophobicContact CG-CE1 4.03Å; R625-Y843 HydrophobicContact CG-CE2 4.27Å |
| 626 | K | 82.8 | Confident | 80 | Confident | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.4 | -39.6 | 175.9 | -72.7 | -178.6 | 179.1 | -180 | 0 | 111.8 | E622 P623 E629 S630 | E622-K626 PolarHBondContact O-N 3.31Å; P623-K626 PolarHBondContact O-N 3.2Å; K626-E629 PolarHBondContact O-N 3.48Å; K626-S630 WeakPolarHBondContact O-CB 3.36Å; K626-S630 PolarHBondContact O-N 3.32Å; K626-S630 PolarHBondContact O-OG 2.85Å |
| 627 | W | 86.5 | Confident | 78.4 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.6 | -174.7 | 83.4 | 0 | 0 | 0 | 111.5 | R612 T615 L616 P623 R624 R625 E629 S630 H631 V632 G683 F686 | R612-W627 VanDerWaalsContact NH1-CD1 3.26Å; T615-W627 HydrophobicContact CG2-CB 4.05Å; T615-W627 HydrophobicContact CG2-CG 4.48Å; L616-W627 HydrophobicContact CD2-CB 4.43Å; L616-W627 HydrophobicContact CD2-CD2 3.44Å; L616-W627 VanDerWaalsContact CD2-CD2 3.44Å; L616-W627 HydrophobicContact CD2-CE3 3.41Å; L616-W627 VanDerWaalsContact CD2-CE3 3.41Å; L616-W627 HydrophobicContact CD2-CG 3.88Å; L616-W627 HydrophobicContact CD2-CH2 4.48Å; L616-W627 HydrophobicContact CD2-CZ2 4.49Å; L616-W627 HydrophobicContact CD2-CZ3 3.97Å; P623-W627 WeakPolarHBondContact O-CB 3.29Å; P623-W627 PolarHBondContact O-N 2.82Å; R624-W627 WeakPolarHBondContact O-CB 3.17Å; R624-W627 PolarHBondContact O-N 2.99Å; R625-W627 VanDerWaalsContact C-N 3.25Å; R625-W627 PolarHBondContact O-N 3.18Å; W627-E629 PolarHBondContact O-N 2.94Å; W627-S630 WeakPolarHBondContact CA-OG 3.49Å; W627-S630 PolarHBondContact O-N 3.22Å; W627-S630 PolarHBondContact O-OG 3.2Å; W627-H631 AromaticContact CD1-CE1 3.39Å; W627-H631 AromaticContact CD1-ND1 3.44Å; W627-H631 AromaticContact CD1-NE2 3.88Å; W627-H631 HydrophobicContact CD2-CB 4.32Å; W627-H631 AromaticContact CE2-CD2 3.92Å; W627-H631 AromaticContact CE2-CG 3.62Å; W627-H631 AromaticContact CE2-ND1 3.8Å; W627-H631 AromaticContact CG-ND1 3.88Å; W627-H631 HydrophobicContact CH2-CB 4.06Å; W627-H631 HydrophobicContact CZ2-CB 3.78Å; W627-H631 AromaticContact CZ2-CG 3.88Å; W627-H631 HydrophobicContact CZ3-CB 4.46Å; W627-H631 AromaticContact NE1-CD2 3.48Å; W627-H631 PolarHBondContact NE1-CD2 3.12Å; W627-H631 AromaticContact NE1-CE1 3.31Å; W627-H631 PolarHBondContact NE1-CE1 3.22Å; W627-H631 VanDerWaalsContact NE1-CE1 3.31Å; W627-H631 AromaticContact NE1-CG 3.45Å; W627-H631 AromaticContact NE1-ND1 3.32Å; W627-H631 PolarHBondContact NE1-ND1 3.23Å; W627-H631 AromaticContact NE1-NE2 3.34Å; W627-H631 PolarHBondContact NE1-NE2 3.01Å; W627-H631 WeakPolarHBondContact O-CB 3.47Å; W627-H631 PolarHBondContact O-N 3.17Å; W627-H631 PolarHBondContact O-ND1 3.27Å; W627-V632 HydrophobicContact CZ3-CG2 4.09Å; W627-G683 WeakPolarHBondContact CH2-O 3.14Å; W627-F686 HydrophobicContact CE3-CD1 4.27Å; W627-F686 AromaticContact CZ3-CD1 3.89Å; W627-F686 HydrophobicContact CZ3-CD1 3.89Å |
| 628 | I | 83.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.9 | -66.2 | 166.4 | 0 | 0 | 0 | 110.5 | R624 R625 S630 H631 V632 F634 F686 I694 A841 Y843 | R624-I628 HydrophobicContact CG-CD1 4.21Å; R624-I628 WeakPolarHBondContact O-CG1 3.26Å; R624-I628 PolarHBondContact O-N 2.76Å; R625-I628 PolarHBondContact O-N 3.19Å; R625-I628 VanDerWaalsContact O-N 3.15Å; I628-S630 PolarHBondContact O-N 3.11Å; I628-H631 PolarHBondContact O-N 3.21Å; I628-V632 HydrophobicContact CB-CG2 4.46Å; I628-V632 HydrophobicContact CG2-CB 3.99Å; I628-V632 HydrophobicContact CG2-CG2 4.04Å; I628-V632 VanDerWaalsContact O-CB 3.29Å; I628-V632 WeakPolarHBondContact O-CB 3.11Å; I628-V632 PolarHBondContact O-N 3.29Å; I628-F634 HydrophobicContact CG2-CE2 4.34Å; I628-F634 HydrophobicContact CG2-CZ 3.77Å; I628-F686 HydrophobicContact CD1-CE1 4.22Å; I628-F686 HydrophobicContact CG1-CE1 4.34Å; I628-I694 HydrophobicContact CD1-CD1 4.47Å; I628-I694 HydrophobicContact CG2-CD1 4.05Å; I628-A841 HydrophobicContact CD1-CB 4.27Å; I628-A841 WeakPolarHBondContact CD1-O 3.25Å; I628-Y843 HydrophobicContact CG2-CE2 4.31Å |
| 629 | E | 82 | Confident | 75.3 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -28.7 | 179.2 | -71.8 | 171.3 | 170.5 | 0 | 0 | 113 | R625 K626 W627 Y843 | R625-E629 HydrophobicContact CG-CG 4.41Å; R625-E629 IonicContact CZ-OE1 2.72Å; R625-E629 IonicContact NE-OE1 3.17Å; R625-E629 PolarHBondContact NE-OE1 2.71Å; R625-E629 IonicContact NH2-OE1 3.68Å; R625-E629 PolarHBondContact NH2-OE1 2.67Å; R625-E629 VanDerWaalsContact NH2-OE1 3.07Å; R625-E629 WeakPolarHBondContact O-CG 3.25Å; R625-E629 PolarHBondContact O-N 3.15Å; K626-E629 PolarHBondContact O-N 3.48Å; W627-E629 PolarHBondContact O-N 2.94Å; E629-Y843 WeakPolarHBondContact CG-OH 3.43Å; E629-Y843 PolarHBondContact OE1-OH 3.19Å |
| 630 | S | 76.2 | Confident | 74 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 57% | 0.573 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -93.4 | -21.6 | -179.3 | 46 | 0 | 0 | 0 | 0 | 114.7 | K626 W627 I628 | K626-S630 WeakPolarHBondContact O-CB 3.36Å; K626-S630 PolarHBondContact O-N 3.32Å; K626-S630 PolarHBondContact O-OG 2.85Å; W627-S630 WeakPolarHBondContact CA-OG 3.49Å; W627-S630 PolarHBondContact O-N 3.22Å; W627-S630 PolarHBondContact O-OG 3.2Å; I628-S630 PolarHBondContact O-N 3.11Å |
| 631 | H | 76.7 | Confident | 72.9 | Confident | 112 Ų | 112 | 71 Ų | 71 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -121.5 | -13.4 | -171.8 | -60.7 | 71.2 | 0 | 0 | 0 | 114.2 | W627 I628 | W627-H631 AromaticContact CD1-CE1 3.39Å; W627-H631 AromaticContact CD1-ND1 3.44Å; W627-H631 AromaticContact CD1-NE2 3.88Å; W627-H631 HydrophobicContact CD2-CB 4.32Å; W627-H631 AromaticContact CE2-CD2 3.92Å; W627-H631 AromaticContact CE2-CG 3.62Å; W627-H631 AromaticContact CE2-ND1 3.8Å; W627-H631 AromaticContact CG-ND1 3.88Å; W627-H631 HydrophobicContact CH2-CB 4.06Å; W627-H631 HydrophobicContact CZ2-CB 3.78Å; W627-H631 AromaticContact CZ2-CG 3.88Å; W627-H631 HydrophobicContact CZ3-CB 4.46Å; W627-H631 AromaticContact NE1-CD2 3.48Å; W627-H631 PolarHBondContact NE1-CD2 3.12Å; W627-H631 AromaticContact NE1-CE1 3.31Å; W627-H631 PolarHBondContact NE1-CE1 3.22Å; W627-H631 VanDerWaalsContact NE1-CE1 3.31Å; W627-H631 AromaticContact NE1-CG 3.45Å; W627-H631 AromaticContact NE1-ND1 3.32Å; W627-H631 PolarHBondContact NE1-ND1 3.23Å; W627-H631 AromaticContact NE1-NE2 3.34Å; W627-H631 PolarHBondContact NE1-NE2 3.01Å; W627-H631 WeakPolarHBondContact O-CB 3.47Å; W627-H631 PolarHBondContact O-N 3.17Å; W627-H631 PolarHBondContact O-ND1 3.27Å; I628-H631 PolarHBondContact O-N 3.21Å |
| 632 | V | 78.2 | Confident | 71.7 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | trans | -113.6 | 115.9 | -176.1 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | W627 I628 F634 K691 | W627-V632 HydrophobicContact CZ3-CG2 4.09Å; I628-V632 HydrophobicContact CB-CG2 4.46Å; I628-V632 HydrophobicContact CG2-CB 3.99Å; I628-V632 HydrophobicContact CG2-CG2 4.04Å; I628-V632 VanDerWaalsContact O-CB 3.29Å; I628-V632 WeakPolarHBondContact O-CB 3.11Å; I628-V632 PolarHBondContact O-N 3.29Å; V632-F634 HydrophobicContact CG1-CE1 4.38Å; V632-F634 HydrophobicContact CG1-CZ 4.4Å; V632-K691 HydrophobicContact CG1-CB 3.72Å; V632-K691 HydrophobicContact CG1-CD 4.42Å; V632-K691 HydrophobicContact CG1-CG 4.28Å | ||
| 633 | Q | 74.3 | Confident | 70.5 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 73% | 0.729 | 32% | 0.316 | S | S | * | . | trans | -90.1 | 118.8 | 174.4 | -158.5 | 178 | -1.4 | 0 | 0 | 110.8 | T635 | Q633-T635 HydrophobicContact CG-CG2 4.05Å; Q633-T635 PolarHBondContact O-N 3.18Å | ||
| 634 | F | 73.1 | Confident | 69.2 | Low | 28 Ų | 28 | 65.1 Ų | 65.1 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | trans | -82 | 81 | -178.2 | -67.4 | -76.5 | 0 | 0 | 0 | 111.8 | I628 V632 K691 I694 Q695 M1004 T1005 P1006 | I628-F634 HydrophobicContact CG2-CE2 4.34Å; I628-F634 HydrophobicContact CG2-CZ 3.77Å; V632-F634 HydrophobicContact CG1-CE1 4.38Å; V632-F634 HydrophobicContact CG1-CZ 4.4Å; F634-K691 HydrophobicContact CD1-CG 4.5Å; F634-I694 HydrophobicContact CD1-CG2 4.49Å; F634-I694 HydrophobicContact CE1-CB 4.09Å; F634-I694 HydrophobicContact CE1-CD1 3.82Å; F634-I694 HydrophobicContact CE1-CG2 3.74Å; F634-I694 HydrophobicContact CZ-CD1 3.82Å; F634-I694 HydrophobicContact CZ-CG2 4.34Å; F634-Q695 HydrophobicContact CD1-CG 4.04Å; F634-M1004 WeakPolarHBondContact CB-O 3.35Å; F634-T1005 HydrophobicContact CB-CG2 4Å; F634-T1005 HydrophobicContact CD2-CG2 4.13Å; F634-T1005 HydrophobicContact CG-CG2 4.38Å; F634-P1006 HydrophobicContact CE1-CG 4.35Å; F634-P1006 HydrophobicContact CE2-CG 4.09Å; F634-P1006 HydrophobicContact CZ-CG 3.84Å | ||
| 635 | T | 68.4 | Low | 67.5 | Low | 44 Ų | 44 | 69.4 Ų | 69.4 | 27% | 0.27 | 35% | 0.349 | S | S | . | . | trans | -110.8 | 165.8 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | Q633 E637 K691 | Q633-T635 HydrophobicContact CG-CG2 4.05Å; Q633-T635 PolarHBondContact O-N 3.18Å; T635-E637 VanDerWaalsContact C-N 3.3Å; T635-K691 VanDerWaalsContact O-CE 3.23Å; T635-K691 WeakPolarHBondContact O-CE 3.25Å; T635-K691 PolarHBondContact OG1-NZ 3.33Å; T635-K691 VanDerWaalsContact OG1-NZ 3.15Å | ||
| 636 | L | 59.7 | Low | 65.4 | Low | 127 Ų | 127 | 74.7 Ų | 74.7 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -75 | -16.6 | 173.5 | -79.6 | 166.7 | 0 | 0 | 0 | 113.4 | M1004 | L636-M1004 HydrophobicContact CD2-CE 3.45Å; L636-M1004 VanDerWaalsContact CD2-CE 3.45Å; L636-M1004 HydrophobicContact CD2-SD 4.35Å; L636-M1004 HydrophobicContact CG-CE 3.65Å; L636-M1004 HydrophobicContact CG-SD 4.42Å |
| 637 | E | 56.2 | Low | 63.1 | Low | 154 Ų | 154 | 76.5 Ų | 76.5 | 72% | 0.72 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -72.8 | 133.8 | -179.5 | -66.4 | 173.5 | 175.4 | 0 | 0 | 109.8 | T635 K691 | T635-E637 VanDerWaalsContact C-N 3.3Å; E637-K691 PolarHBondContact O-NZ 2.97Å |
| 638 | E | 53.4 | Low | 60.5 | Low | 118 Ų | 118 | 84.6 Ų | 84.6 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 130 | 171.1 | -72 | -180 | 152.7 | 0 | 0 | 108.7 | R574 G640 | R574-E638 IonicContact CZ-OE2 2.74Å; R574-E638 IonicContact NH1-OE1 3.56Å; R574-E638 IonicContact NH1-OE2 3.34Å; R574-E638 PolarHBondContact NH1-OE2 2.83Å; R574-E638 IonicContact NH2-OE2 3.62Å; R574-E638 PolarHBondContact NH2-OE2 3.19Å; E638-G640 PolarHBondContact O-N 3.47Å |
| 639 | D | 54 | Low | 58.1 | Low | 79 Ų | 79 | 86.9 Ų | 86.9 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 122.8 | 174.6 | -52.2 | -28.7 | 0 | 0 | 0 | 107.6 | R688 K691 | D639-R688 HydrophobicContact CB-CG 4.08Å; D639-K691 IonicContact OD1-NZ 3.51Å; D639-K691 PolarHBondContact OD1-NZ 3.25Å; D639-K691 IonicContact OD2-NZ 3.78Å |
| 640 | G | 54.2 | Low | 55.7 | Low | 15 Ų | 15 | 86.6 Ų | 86.6 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | trans | -74.7 | -146.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E638 D644 R688 | E638-G640 PolarHBondContact O-N 3.47Å; G640-D644 WeakPolarHBondContact CA-OD2 3.32Å; G640-R688 PolarHBondContact O-NH1 3.02Å; G640-R688 PolarHBondContact O-NH2 3Å; G640-R688 VanDerWaalsContact O-NH2 3.07Å | ||
| 641 | S | 53.6 | Low | 53.4 | Low | 11 Ų | 11 | 87.9 Ų | 87.9 | 8% | 0.077 | 45% | 0.451 | C | S | . | . | trans | -66.4 | 164.3 | -170.9 | -158.5 | 0 | 0 | 0 | 0 | 114.2 | W554 L643 D644 R688 | W554-S641 WeakPolarHBondContact O-CB 3.32Å; W554-S641 PolarHBondContact O-OG 3.47Å; S641-L643 PolarHBondContact O-N 3.22Å; S641-L643 VanDerWaalsContact O-N 3.17Å; S641-D644 VanDerWaalsContact CB-OD1 3.32Å; S641-D644 WeakPolarHBondContact CB-OD1 3.4Å; S641-D644 PolarHBondContact N-OD1 2.71Å; S641-D644 PolarHBondContact N-OD2 2.72Å; S641-D644 WeakPolarHBondContact O-CB 3.42Å; S641-D644 PolarHBondContact O-N 2.65Å; S641-D644 VanDerWaalsContact O-N 3.1Å; S641-R688 VanDerWaalsContact C-NH2 3.25Å; S641-R688 PolarHBondContact O-NH2 3.25Å | ||
| 642 | L | 57.2 | Low | 51.1 | Low | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.063 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -56.7 | -27.2 | 163.6 | -165.4 | 78.5 | 0 | 0 | 0 | 110.9 | L534 V599 D644 L676 D684 R685 | L534-L642 HydrophobicContact CD2-CB 4.33Å; L534-L642 HydrophobicContact CD2-CD2 4.35Å; V599-L642 HydrophobicContact CB-CD2 4.35Å; V599-L642 HydrophobicContact CG1-CD2 4.18Å; V599-L642 HydrophobicContact CG2-CD2 3.47Å; V599-L642 VanDerWaalsContact CG2-CD2 3.47Å; L642-D644 PolarHBondContact O-N 2.92Å; L642-L676 HydrophobicContact CD1-CD1 4.32Å; L642-L676 HydrophobicContact CD2-CD1 3.48Å; L642-L676 VanDerWaalsContact CD2-CD1 3.48Å; L642-L676 HydrophobicContact CG-CD1 3.99Å; L642-D684 HydrophobicContact CD1-CB 4.3Å; L642-D684 VanDerWaalsContact CD1-OD2 3.26Å; L642-D684 WeakPolarHBondContact CD1-OD2 3.3Å; L642-R685 VanDerWaalsContact CD1-NH1 3.28Å |
| 643 | L | 55.4 | Low | 48.7 | Very low | 14 Ų | 14 | 91.9 Ų | 91.9 | 7% | 0.073 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -74.4 | -6.5 | 179.7 | -57 | 177.2 | 0 | 0 | 0 | 113.8 | L534 W554 T555 S641 K646 Q674 | L534-L643 HydrophobicContact CD1-CD1 4.32Å; L534-L643 HydrophobicContact CD1-CD2 3.81Å; L534-L643 HydrophobicContact CD1-CG 3.96Å; W554-L643 HydrophobicContact CB-CD1 3.78Å; W554-L643 HydrophobicContact CG-CD1 4.38Å; T555-L643 HydrophobicContact CG2-CB 3.72Å; T555-L643 HydrophobicContact CG2-CD1 4.32Å; S641-L643 PolarHBondContact O-N 3.22Å; S641-L643 VanDerWaalsContact O-N 3.17Å; L643-K646 WeakPolarHBondContact O-CG 3.49Å; L643-Q674 VanDerWaalsContact CD2-CD 3.47Å |
| 644 | D | 57.8 | Low | 46.5 | Very low | 59 Ų | 59 | 89.3 Ų | 89.3 | 32% | 0.316 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -78.9 | -25.8 | -177.6 | -66.1 | 5.2 | 0 | 0 | 0 | 111.7 | T555 G640 S641 L642 K646 | T555-D644 WeakPolarHBondContact CB-OD1 3.45Å; T555-D644 WeakPolarHBondContact CG2-OD1 3.46Å; G640-D644 WeakPolarHBondContact CA-OD2 3.32Å; S641-D644 VanDerWaalsContact CB-OD1 3.32Å; S641-D644 WeakPolarHBondContact CB-OD1 3.4Å; S641-D644 PolarHBondContact N-OD1 2.71Å; S641-D644 PolarHBondContact N-OD2 2.72Å; S641-D644 WeakPolarHBondContact O-CB 3.42Å; S641-D644 PolarHBondContact O-N 2.65Å; S641-D644 VanDerWaalsContact O-N 3.1Å; L642-D644 PolarHBondContact O-N 2.92Å; D644-K646 PolarHBondContact O-N 2.88Å |
| 645 | N | 51.3 | Low | 44.2 | Very low | 117 Ų | 117 | 92.9 Ų | 92.9 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | trans | -79.1 | 58.6 | 174.5 | -63.5 | -22.2 | 0 | 0 | 0 | 110.7 | E647 | N645-E647 VanDerWaalsContact C-N 3.34Å; N645-E647 PolarHBondContact O-N 3.3Å; N645-E647 VanDerWaalsContact O-N 3.08Å | ||
| 646 | K | 39.1 | Very low | 42.3 | Very low | 163 Ų | 163 | 99.3 Ų | 99.3 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | trans | -78.7 | 79.5 | 172.4 | -76.7 | -179.9 | -174.7 | 172.3 | 0 | 110.7 | L643 D644 | L643-K646 WeakPolarHBondContact O-CG 3.49Å; D644-K646 PolarHBondContact O-N 2.88Å | ||
| 647 | E | 35 | Very low | 40.6 | Very low | 184 Ų | 184 | 102 Ų | 102 | 86% | 0.86 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -97.8 | 106 | 142.5 | -72.5 | -169.1 | 170 | 0 | 0 | 106.6 | N645 A649 | N645-E647 VanDerWaalsContact C-N 3.34Å; N645-E647 PolarHBondContact O-N 3.3Å; N645-E647 VanDerWaalsContact O-N 3.08Å; E647-A649 PolarHBondContact O-N 3.45Å |
| 648 | E | 30.9 | Very low | 39.3 | Very low | 188 Ų | 188 | 101.9 Ų | 101.9 | 88% | 0.879 | 56% | 0.556 | S | S | * | * | trans | 7.1 | 69.2 | 175.5 | -63.5 | -177.7 | 165 | 0 | 0 | 117.6 | T650 | E648-T650 PolarHBondContact O-N 3.3Š| ||
| 649 | A | 33.3 | Very low | 38 | Very low | 49 Ų | 49 | 105.8 Ų | 105.8 | 41% | 0.405 | 57% | 0.574 | S | S | . | * | trans | -66.4 | 119.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E647 T651 | E647-A649 PolarHBondContact O-N 3.45Å; A649-T651 PolarHBondContact O-N 2.66Å; A649-T651 VanDerWaalsContact O-N 3.11Å | ||
| 650 | T | 32.2 | Very low | 36.7 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | trans | -54.9 | 111.3 | -179.5 | 34.4 | 0 | 0 | 0 | 0 | 112 | E648 | E648-T650 PolarHBondContact O-N 3.3Š| ||
| 651 | T | 28 | Very low | 35.4 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | trans | -79.9 | 113.8 | 166.1 | 42.2 | 0 | 0 | 0 | 0 | 109 | A649 P653 | A649-T651 PolarHBondContact O-N 2.66Å; A649-T651 VanDerWaalsContact O-N 3.11Å; T651-P653 WeakPolarHBondContact O-CD 3.38Å | ||
| 652 | V | 27.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 117.8 | 173.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | V654 | V652-V654 PolarHBondContact O-N 2.59Š|
| 653 | P | 27.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 119.2 | 167.4 | -13.8 | 27.9 | 0 | 0 | 0 | 108.9 | T651 A655 | T651-P653 WeakPolarHBondContact O-CD 3.38Å; P653-A655 PolarHBondContact O-N 2.85Å |
| 654 | V | 28.2 | Very low | 31.2 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 62% | 0.624 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.2 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | V652 E656 | V652-V654 PolarHBondContact O-N 2.59Å; V654-E656 PolarHBondContact O-N 2.94Å |
| 655 | A | 25 | Very low | 29.9 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -66.9 | 92.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P653 Q657 | P653-A655 PolarHBondContact O-N 2.85Å; A655-Q657 PolarHBondContact O-N 3.31Å | ||
| 656 | E | 29.6 | Very low | 28.8 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -85.5 | 107.2 | 171.4 | -73.7 | -167.4 | 157.1 | 0 | 0 | 110.7 | V654 N658 | V654-E656 PolarHBondContact O-N 2.94Å; E656-N658 PolarHBondContact O-N 3.04Å | ||
| 657 | Q | 24.6 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 101 | 153.6 | -70.1 | 178.1 | -8.9 | 0 | 0 | 107.8 | A655 | A655-Q657 PolarHBondContact O-N 3.31Š| ||
| 658 | N | 27.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 176.4 | 120.1 | 138 | -87.5 | -29.1 | 0 | 0 | 0 | 109.9 | E656 M660 | E656-N658 PolarHBondContact O-N 3.04Å; N658-M660 PolarHBondContact O-N 2.94Å | ||
| 659 | E | 26.1 | Very low | 28.2 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -59.3 | 114.8 | 166 | -63.8 | 172.4 | 156.8 | 0 | 0 | 109.3 | ||||
| 660 | M | 26.3 | Very low | 28.8 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -138.3 | 142.2 | 160.1 | -75.7 | -161.7 | 104.1 | 0 | 0 | 111.3 | N658 | N658-M660 PolarHBondContact O-N 2.94Š| ||
| 661 | E | 27.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 148 | -161.4 | -64 | 167.9 | 141.9 | 0 | 0 | 115.3 | T663 | E661-T663 PolarHBondContact O-N 2.85Š| ||
| 662 | E | 25.7 | Very low | 31.6 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 95% | 0.949 | 76% | 0.756 | S | S | * | * | trans | -50.8 | 115.6 | 171.9 | -70.3 | 175.5 | 147.9 | 0 | 0 | 111.7 | ||||
| 663 | T | 26.5 | Very low | 34.1 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | -114.5 | 130.2 | 158.3 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | E661 D665 | E661-T663 PolarHBondContact O-N 2.85Å; T663-D665 PolarHBondContact O-N 2.84Å | ||
| 664 | T | 25.9 | Very low | 36.7 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | trans | -76.7 | 104.5 | 176.5 | 42.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 665 | D | 30.6 | Very low | 39.3 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -167.3 | 126 | 139.2 | -112.4 | -20.9 | 0 | 0 | 0 | 109 | T663 M667 | T663-D665 PolarHBondContact O-N 2.84Å; D665-M667 PolarHBondContact O-N 3.29Å | ||
| 666 | G | 28.3 | Very low | 42.1 | Very low | 88 Ų | 88 | 125 Ų | 125 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | trans | -81.1 | 69 | -164 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 667 | M | 26.7 | Very low | 44.9 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 72% | 0.719 | 62% | 0.62 | S | S | * | * | trans | -101.8 | 102.3 | 150.6 | -86.3 | -179.6 | 167.9 | 0 | 0 | 107.5 | Y595 D665 S669 | Y595-M667 HydrophobicContact CE1-SD 4.08Å; D665-M667 PolarHBondContact O-N 3.29Å; M667-S669 PolarHBondContact O-N 3.44Å | ||
| 668 | E | 33.5 | Very low | 48 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | trans | -56.5 | 122.7 | 165.7 | -74.3 | 177.4 | 161.4 | 0 | 0 | 108 | K670 | E668-K670 PolarHBondContact O-N 2.96Š| ||
| 669 | S | 30.8 | Very low | 50.6 | Low | 95 Ų | 95 | 102 Ų | 102 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | trans | -63 | 108.4 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 109 | M667 H671 | M667-S669 PolarHBondContact O-N 3.44Å; S669-H671 PolarHBondContact O-N 3.25Å | ||
| 670 | K | 47.3 | Very low | 53.4 | Low | 154 Ų | 154 | 97.6 Ų | 97.6 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | trans | -81.8 | 42.7 | 173.7 | -74.7 | -171 | 173.4 | -171.5 | 0 | 111.2 | E668 S672 | E668-K670 PolarHBondContact O-N 2.96Å; K670-S672 PolarHBondContact O-N 2.8Å; K670-S672 VanDerWaalsContact O-N 3.17Å | ||
| 671 | H | 45.8 | Very low | 56.3 | Low | 81 Ų | 81 | 89 Ų | 89 | 38% | 0.375 | 48% | 0.48 | S | S | . | . | trans | -74 | 105 | 172.4 | 179.8 | -66 | 0 | 0 | 0 | 109 | P593 S669 | P593-H671 PolarHBondContact O-CD2 3.06Å; S669-H671 PolarHBondContact O-N 3.25Å | ||
| 672 | S | 73 | Confident | 59.2 | Low | 34 Ų | 34 | 80.5 Ų | 80.5 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.1 | 176 | -177.2 | 0 | 0 | 0 | 0 | 111 | L598 K670 | L598-S672 PolarHBondContact N-O 3.01Å; K670-S672 PolarHBondContact O-N 2.8Å; K670-S672 VanDerWaalsContact O-N 3.17Å |
| 673 | I | 80.3 | Confident | 62.1 | Low | 38 Ų | 38 | 71.2 Ų | 71.2 | 20% | 0.195 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.7 | 164.3 | -64.4 | 173.3 | 0 | 0 | 0 | 106.8 | Y531 L598 R600 | Y531-I673 HydrophobicContact CE1-CD1 4.48Å; Y531-I673 HydrophobicContact CE1-CG2 4.24Å; L598-I673 CarbonylContact O-C 3.33Å; L598-I673 WeakPolarHBondContact O-CA 3.43Å; R600-I673 HydrophobicContact CB-CG2 3.83Å |
| 674 | Q | 81 | Confident | 64.8 | Low | 39 Ų | 39 | 66.1 Ų | 66.1 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 145.4 | 172.4 | -65.8 | -174.2 | -13.7 | 0 | 0 | 109.8 | L598 V599 R600 L643 | L598-Q674 PolarHBondContact O-N 3.1Å; V599-Q674 CarbonylContact C-O 3.46Å; V599-Q674 WeakPolarHBondContact CA-O 3.26Å; V599-Q674 HydrophobicContact CG2-CB 4.49Å; R600-Q674 PolarHBondContact N-O 3.22Å; L643-Q674 VanDerWaalsContact CD2-CD 3.47Å |
| 675 | E | 81.8 | Confident | 67.7 | Low | 28 Ų | 28 | 60.1 Ų | 60.1 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 174.2 | -55.4 | -160 | 99.4 | 0 | 0 | 108.7 | R600 R602 | R600-E675 IonicContact CZ-OE1 3.61Å; R600-E675 VanDerWaalsContact CZ-OE1 3.24Å; R600-E675 IonicContact NE-OE1 3.24Å; R600-E675 PolarHBondContact NE-OE1 2.95Å; R600-E675 VanDerWaalsContact NE-OE1 3.13Å; R600-E675 IonicContact NH2-OE1 3.61Å; R600-E675 PolarHBondContact NH2-OE1 2.91Å; R602-E675 WeakPolarHBondContact CD-OE1 3.5Å; R602-E675 IonicContact CZ-OE1 3.92Å; R602-E675 IonicContact CZ-OE2 2.65Å; R602-E675 IonicContact NH1-OE1 3.91Å; R602-E675 PolarHBondContact NH1-OE1 2.86Å; R602-E675 IonicContact NH1-OE2 2.66Å; R602-E675 PolarHBondContact NH1-OE2 3.27Å |
| 676 | L | 85.4 | Confident | 70.3 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.8 | 172.2 | -69.4 | 175.1 | 0 | 0 | 0 | 109.2 | V599 R600 V601 R602 L642 V681 | V599-L676 HydrophobicContact CG1-CB 3.99Å; V599-L676 HydrophobicContact CG1-CD1 3.74Å; V599-L676 HydrophobicContact CG1-CG 4.06Å; R600-L676 PolarHBondContact O-N 2.92Å; R600-L676 VanDerWaalsContact O-N 3.12Å; V601-L676 WeakPolarHBondContact CA-O 3.48Å; R602-L676 PolarHBondContact N-O 2.85Å; L642-L676 HydrophobicContact CD1-CD1 4.32Å; L642-L676 HydrophobicContact CD2-CD1 3.48Å; L642-L676 VanDerWaalsContact CD2-CD1 3.48Å; L642-L676 HydrophobicContact CG-CD1 3.99Å; L676-V681 HydrophobicContact CB-CG2 3.48Å; L676-V681 VanDerWaalsContact CB-CG2 3.48Å; L676-V681 HydrophobicContact CD1-CG2 3.95Å; L676-V681 HydrophobicContact CG-CG2 4.38Å |
| 677 | T | 87 | Confident | 73 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 151.6 | 173.2 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | R602 D604 E679 E680 V681 | R602-T677 CarbonylContact O-C 3.57Å; D604-T677 HydrophobicContact CB-CG2 4.12Å; T677-E679 PolarHBondContact O-N 3.25Å; T677-E679 VanDerWaalsContact O-N 3.16Å; T677-E680 WeakPolarHBondContact CB-OE2 3.43Å; T677-E680 WeakPolarHBondContact CG2-OE2 3.29Å; T677-E680 PolarHBondContact N-OE2 3.08Å; T677-E680 PolarHBondContact O-N 2.86Å; T677-E680 WeakPolarHBondContact OG1-CB 3.44Å; T677-E680 WeakPolarHBondContact OG1-CG 3.24Å; T677-E680 PolarHBondContact OG1-N 2.78Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; T677-V681 WeakPolarHBondContact O-CG2 3.33Å; T677-V681 PolarHBondContact O-N 2.87Å; T677-V681 VanDerWaalsContact O-N 3.13Å |
| 678 | L | 89.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.8 | -35.1 | 175.1 | 176.5 | 63.1 | 0 | 0 | 0 | 111.2 | L514 Y518 I525 V601 R602 I603 A609 V613 M682 | L514-L678 HydrophobicContact CB-CD1 3.86Å; L514-L678 HydrophobicContact CD1-CD1 4.18Å; L514-L678 HydrophobicContact CD2-CD1 4.18Å; L514-L678 HydrophobicContact CG-CD1 4.3Å; Y518-L678 HydrophobicContact CD2-CD2 3.33Å; Y518-L678 HydrophobicContact CE2-CD2 4.07Å; Y518-L678 HydrophobicContact CG-CD2 3.71Å; I525-L678 HydrophobicContact CD1-CD2 4.35Å; V601-L678 HydrophobicContact CG1-CB 3.91Å; V601-L678 HydrophobicContact CG1-CD1 3.88Å; R602-L678 WeakPolarHBondContact O-CB 3.06Å; R602-L678 PolarHBondContact O-N 2.93Å; I603-L678 HydrophobicContact CD1-CD2 4.41Å; I603-L678 HydrophobicContact CG1-CB 4.29Å; I603-L678 HydrophobicContact CG1-CD2 4.14Å; A609-L678 HydrophobicContact CB-CD2 4.21Å; V613-L678 HydrophobicContact CG2-CD2 4.5Å; L678-M682 HydrophobicContact CD1-CG 3.87Å; L678-M682 HydrophobicContact CG-CG 4.17Å; L678-M682 WeakPolarHBondContact O-CB 3.11Å; L678-M682 WeakPolarHBondContact O-CG 3.18Å; L678-M682 PolarHBondContact O-N 3.4Å |
| 679 | E | 84.5 | Confident | 77.9 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -44 | -176.7 | -64.5 | 154.7 | -138.6 | 0 | 0 | 113 | D605 Q608 A609 R612 T677 M682 G683 | D605-E679 VanDerWaalsContact O-OE1 3.06Å; Q608-E679 HydrophobicContact CB-CG 4.42Å; Q608-E679 VanDerWaalsContact CB-OE1 3.28Å; Q608-E679 WeakPolarHBondContact CB-OE1 3.39Å; Q608-E679 WeakPolarHBondContact CB-OE2 3.26Å; Q608-E679 PolarHBondContact OE1-OE2 3.17Å; Q608-E679 VanDerWaalsContact OE1-OE2 3.06Å; A609-E679 VanDerWaalsContact CA-CG 3.45Å; A609-E679 WeakPolarHBondContact CA-OE1 3.38Å; A609-E679 HydrophobicContact CB-CG 4.09Å; A609-E679 PolarHBondContact N-OE1 2.99Å; R612-E679 HydrophobicContact CB-CB 4.37Å; R612-E679 HydrophobicContact CB-CG 3.99Å; R612-E679 HydrophobicContact CG-CB 4.26Å; R612-E679 HydrophobicContact CG-CG 4.42Å; T677-E679 PolarHBondContact O-N 3.25Å; T677-E679 VanDerWaalsContact O-N 3.16Å; E679-M682 PolarHBondContact O-N 3.41Å; E679-G683 PolarHBondContact O-N 2.79Å |
| 680 | E | 83.1 | Confident | 80.4 | Confident | 106 Ų | 106 | 32.2 Ų | 32.2 | 50% | 0.495 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.9 | -71.7 | 160.1 | 151.8 | 0 | 0 | 110.3 | T677 G683 D684 | T677-E680 WeakPolarHBondContact CB-OE2 3.43Å; T677-E680 WeakPolarHBondContact CG2-OE2 3.29Å; T677-E680 PolarHBondContact N-OE2 3.08Å; T677-E680 PolarHBondContact O-N 2.86Å; T677-E680 WeakPolarHBondContact OG1-CB 3.44Å; T677-E680 WeakPolarHBondContact OG1-CG 3.24Å; T677-E680 PolarHBondContact OG1-N 2.78Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; E680-G683 PolarHBondContact O-N 2.82Å; E680-D684 PolarHBondContact O-N 3.44Å |
| 681 | V | 88.1 | Confident | 82 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L514 I532 V599 V601 L676 T677 G683 R685 | L514-V681 HydrophobicContact CD1-CB 4.35Å; L514-V681 HydrophobicContact CD1-CG1 3.6Å; I532-V681 HydrophobicContact CD1-CG1 3.54Å; V599-V681 HydrophobicContact CG1-CG2 4.32Å; V601-V681 HydrophobicContact CG2-CG2 4.48Å; L676-V681 HydrophobicContact CB-CG2 3.48Å; L676-V681 VanDerWaalsContact CB-CG2 3.48Å; L676-V681 HydrophobicContact CD1-CG2 3.95Å; L676-V681 HydrophobicContact CG-CG2 4.38Å; T677-V681 WeakPolarHBondContact O-CG2 3.33Å; T677-V681 PolarHBondContact O-N 2.87Å; T677-V681 VanDerWaalsContact O-N 3.13Å; V681-G683 VanDerWaalsContact C-N 3.33Å; V681-G683 PolarHBondContact O-N 2.92Å; V681-R685 HydrophobicContact CG1-CG 4.14Å; V681-R685 VanDerWaalsContact O-CB 3.26Å; V681-R685 WeakPolarHBondContact O-CB 3.22Å; V681-R685 WeakPolarHBondContact O-CG 3.32Å; V681-R685 PolarHBondContact O-N 3.5Å |
| 682 | M | 88.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.1 | -75.8 | -89.8 | -56.3 | 0 | 0 | 111.5 | V511 L514 R612 V613 L616 M617 L678 E679 F686 | V511-M682 HydrophobicContact CB-SD 4.33Å; V511-M682 HydrophobicContact CG1-CE 3.86Å; V511-M682 HydrophobicContact CG1-SD 3.7Å; L514-M682 HydrophobicContact CB-SD 4.02Å; L514-M682 HydrophobicContact CD1-CG 4.46Å; R612-M682 HydrophobicContact CG-CB 4.3Å; V613-M682 HydrophobicContact CB-CE 4.36Å; V613-M682 HydrophobicContact CG2-CE 3.82Å; L616-M682 HydrophobicContact CD1-CB 4.35Å; M617-M682 HydrophobicContact CG-CE 3.78Å; L678-M682 HydrophobicContact CD1-CG 3.87Å; L678-M682 HydrophobicContact CG-CG 4.17Å; L678-M682 WeakPolarHBondContact O-CB 3.11Å; L678-M682 WeakPolarHBondContact O-CG 3.18Å; L678-M682 PolarHBondContact O-N 3.4Å; E679-M682 PolarHBondContact O-N 3.41Å; M682-F686 WeakPolarHBondContact O-CB 3.39Å; M682-F686 PolarHBondContact O-N 3.19Å |
| 683 | G | 85.7 | Confident | 83.9 | Confident | 8 Ų | 8 | 22.8 Ų | 22.8 | 8% | 0.082 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -58.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W627 E679 E680 V681 R685 F686 G687 | W627-G683 WeakPolarHBondContact CH2-O 3.14Å; E679-G683 PolarHBondContact O-N 2.79Å; E680-G683 PolarHBondContact O-N 2.82Å; V681-G683 VanDerWaalsContact C-N 3.33Å; V681-G683 PolarHBondContact O-N 2.92Å; G683-R685 PolarHBondContact O-N 2.65Å; G683-F686 PolarHBondContact O-N 3.36Å; G683-G687 PolarHBondContact O-N 2.98Å |
| 684 | D | 84 | Confident | 83.9 | Confident | 31 Ų | 31 | 21 Ų | 21 | 17% | 0.166 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.8 | -52.9 | 178.7 | 171.1 | 79.2 | 0 | 0 | 0 | 111.4 | L642 E680 F686 G687 R688 | L642-D684 HydrophobicContact CD1-CB 4.3Å; L642-D684 VanDerWaalsContact CD1-OD2 3.26Å; L642-D684 WeakPolarHBondContact CD1-OD2 3.3Å; E680-D684 PolarHBondContact O-N 3.44Å; D684-F686 PolarHBondContact O-N 3.33Å; D684-G687 PolarHBondContact O-N 3.04Å; D684-R688 VanDerWaalsContact CG-NE 3.32Å; D684-R688 WeakPolarHBondContact O-CG 3.44Å; D684-R688 PolarHBondContact O-N 3.13Å; D684-R688 VanDerWaalsContact O-N 3.08Å; D684-R688 IonicContact OD1-CZ 3.65Å; D684-R688 IonicContact OD1-NE 2.88Å; D684-R688 PolarHBondContact OD1-NE 3.32Å; D684-R688 IonicContact OD1-NH2 3.76Å; D684-R688 PolarHBondContact OD1-NH2 3.31Å; D684-R688 VanDerWaalsContact OD1-NH2 3.1Å; D684-R688 IonicContact OD2-CZ 2.77Å; D684-R688 IonicContact OD2-NE 3.39Å; D684-R688 PolarHBondContact OD2-NE 3.31Å; D684-R688 IonicContact OD2-NH2 3.48Å |
| 685 | R | 86.2 | Confident | 83.8 | Confident | 14 Ų | 14 | 20 Ų | 20 | 5% | 0.053 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | -175.4 | -63.8 | -50.5 | -170.7 | -150.3 | 15.8 | 112.9 | A507 V511 L642 V681 G683 Y689 | A507-R685 HydrophobicContact CB-CB 4.21Å; V511-R685 HydrophobicContact CG2-CB 3.52Å; L642-R685 VanDerWaalsContact CD1-NH1 3.28Å; V681-R685 HydrophobicContact CG1-CG 4.14Å; V681-R685 VanDerWaalsContact O-CB 3.26Å; V681-R685 WeakPolarHBondContact O-CB 3.22Å; V681-R685 WeakPolarHBondContact O-CG 3.32Å; V681-R685 PolarHBondContact O-N 3.5Å; G683-R685 PolarHBondContact O-N 2.65Å; R685-Y689 WeakPolarHBondContact O-CB 3.29Å; R685-Y689 PolarHBondContact O-N 2.73Å |
| 686 | F | 86.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.022 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.5 | -35.9 | 176.6 | -171.1 | -92.4 | 0 | 0 | 0 | 112.2 | V511 L616 M617 R624 W627 I628 M682 G683 D684 S690 A841 | V511-F686 HydrophobicContact CG1-CD2 4.22Å; V511-F686 HydrophobicContact CG2-CB 4.19Å; L616-F686 HydrophobicContact CB-CD1 4.2Å; L616-F686 HydrophobicContact CB-CD2 4.16Å; L616-F686 HydrophobicContact CB-CE1 4.34Å; L616-F686 HydrophobicContact CB-CE2 4.29Å; L616-F686 HydrophobicContact CB-CG 4.11Å; L616-F686 HydrophobicContact CB-CZ 4.38Å; L616-F686 HydrophobicContact CD1-CB 3.9Å; L616-F686 HydrophobicContact CD1-CD1 4.26Å; L616-F686 HydrophobicContact CD1-CG 4.09Å; L616-F686 HydrophobicContact CD2-CD1 3.68Å; L616-F686 HydrophobicContact CD2-CE1 3.92Å; L616-F686 HydrophobicContact CD2-CG 4.3Å; L616-F686 HydrophobicContact CG-CD1 4.24Å; L616-F686 HydrophobicContact CG-CG 4.38Å; L616-F686 WeakPolarHBondContact O-CE2 3.23Å; L616-F686 WeakPolarHBondContact O-CZ 3.28Å; M617-F686 HydrophobicContact SD-CD2 4.06Å; M617-F686 HydrophobicContact SD-CE2 3.97Å; R624-F686 HydrophobicContact CG-CE1 4.01Å; R624-F686 HydrophobicContact CG-CZ 4.02Å; W627-F686 HydrophobicContact CE3-CD1 4.27Å; W627-F686 AromaticContact CZ3-CD1 3.89Å; W627-F686 HydrophobicContact CZ3-CD1 3.89Å; I628-F686 HydrophobicContact CD1-CE1 4.22Å; I628-F686 HydrophobicContact CG1-CE1 4.34Å; M682-F686 WeakPolarHBondContact O-CB 3.39Å; M682-F686 PolarHBondContact O-N 3.19Å; G683-F686 PolarHBondContact O-N 3.36Å; D684-F686 PolarHBondContact O-N 3.33Å; F686-S690 VanDerWaalsContact CD1-OG 3.32Å; F686-S690 WeakPolarHBondContact CD1-OG 2.97Å; F686-S690 WeakPolarHBondContact CE1-OG 3.18Å; F686-S690 VanDerWaalsContact O-CB 3.23Å; F686-S690 WeakPolarHBondContact O-CB 3.39Å; F686-S690 PolarHBondContact O-N 2.7Å; F686-S690 PolarHBondContact O-OG 3.47Å; F686-A841 HydrophobicContact CZ-CB 4.12Å |
| 687 | G | 84.5 | Confident | 83 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 8% | 0.082 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -51.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G683 D684 Y689 S690 K691 | G683-G687 PolarHBondContact O-N 2.98Å; D684-G687 PolarHBondContact O-N 3.04Å; G687-Y689 PolarHBondContact O-N 3.33Å; G687-S690 PolarHBondContact O-N 2.79Å; G687-S690 VanDerWaalsContact O-N 3.15Å; G687-K691 PolarHBondContact O-N 3.35Å |
| 688 | R | 79.8 | Confident | 82.9 | Confident | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 176.7 | -66.2 | 173.3 | -172.6 | -142.7 | -7.7 | 112.5 | D639 G640 S641 D684 S690 K691 Y692 | D639-R688 HydrophobicContact CB-CG 4.08Å; G640-R688 PolarHBondContact O-NH1 3.02Å; G640-R688 PolarHBondContact O-NH2 3Å; G640-R688 VanDerWaalsContact O-NH2 3.07Å; S641-R688 VanDerWaalsContact C-NH2 3.25Å; S641-R688 PolarHBondContact O-NH2 3.25Å; D684-R688 VanDerWaalsContact CG-NE 3.32Å; D684-R688 WeakPolarHBondContact O-CG 3.44Å; D684-R688 PolarHBondContact O-N 3.13Å; D684-R688 VanDerWaalsContact O-N 3.08Å; D684-R688 IonicContact OD1-CZ 3.65Å; D684-R688 IonicContact OD1-NE 2.88Å; D684-R688 PolarHBondContact OD1-NE 3.32Å; D684-R688 IonicContact OD1-NH2 3.76Å; D684-R688 PolarHBondContact OD1-NH2 3.31Å; D684-R688 VanDerWaalsContact OD1-NH2 3.1Å; D684-R688 IonicContact OD2-CZ 2.77Å; D684-R688 IonicContact OD2-NE 3.39Å; D684-R688 PolarHBondContact OD2-NE 3.31Å; D684-R688 IonicContact OD2-NH2 3.48Å; R688-S690 VanDerWaalsContact C-N 3.32Å; R688-S690 PolarHBondContact O-N 3.47Å; R688-K691 PolarHBondContact O-N 3.28Å; R688-Y692 WeakPolarHBondContact O-CB 3.42Å; R688-Y692 PolarHBondContact O-N 3.07Å; R688-Y692 VanDerWaalsContact O-N 3.11Å |
| 689 | Y | 82.5 | Confident | 83 | Confident | 30 Ų | 30 | 24 Ų | 24 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 175.6 | 169.1 | -111.1 | 0 | 0 | 0 | 111.5 | H508 R685 G687 Y692 I693 A841 | H508-Y689 HydrophobicContact CB-CD1 4.19Å; H508-Y689 HydrophobicContact CB-CD2 3.49Å; H508-Y689 VanDerWaalsContact CB-CD2 3.49Å; H508-Y689 HydrophobicContact CB-CE1 4.43Å; H508-Y689 HydrophobicContact CB-CE2 3.76Å; H508-Y689 HydrophobicContact CB-CG 3.71Å; H508-Y689 AromaticContact CD2-CD1 3.68Å; H508-Y689 AromaticContact CD2-CE1 3.5Å; H508-Y689 VanDerWaalsContact CD2-CE1 3.5Å; H508-Y689 WeakPolarHBondContact CD2-CE1 3.3Å; H508-Y689 AromaticContact CD2-CZ 3.81Å; H508-Y689 AromaticContact CE1-CE1 4Å; H508-Y689 AromaticContact CE1-CZ 3.69Å; H508-Y689 AromaticContact CG-CD1 3.94Å; H508-Y689 AromaticContact CG-CD2 3.83Å; H508-Y689 AromaticContact CG-CE1 3.78Å; H508-Y689 AromaticContact CG-CE2 3.64Å; H508-Y689 AromaticContact CG-CG 3.95Å; H508-Y689 AromaticContact CG-CZ 3.63Å; H508-Y689 AromaticContact ND1-CE2 3.7Å; H508-Y689 AromaticContact ND1-CZ 3.57Å; H508-Y689 AromaticContact NE2-CE1 3.67Å; H508-Y689 AromaticContact NE2-CZ 3.86Å; R685-Y689 WeakPolarHBondContact O-CB 3.29Å; R685-Y689 PolarHBondContact O-N 2.73Å; G687-Y689 PolarHBondContact O-N 3.33Å; Y689-Y692 PolarHBondContact O-N 3.49Å; Y689-I693 HydrophobicContact CD2-CD1 4.29Å; Y689-I693 HydrophobicContact CD2-CG1 3.66Å; Y689-I693 HydrophobicContact CE1-CG1 4.26Å; Y689-I693 HydrophobicContact CE2-CD1 3.59Å; Y689-I693 HydrophobicContact CE2-CG1 3.21Å; Y689-I693 HydrophobicContact CG-CG1 4.36Å; Y689-I693 WeakPolarHBondContact O-CB 3.22Å; Y689-I693 VanDerWaalsContact O-CG1 3.25Å; Y689-I693 WeakPolarHBondContact O-CG1 3.23Å; Y689-I693 PolarHBondContact O-N 2.88Å; Y689-A841 HydrophobicContact CE1-CB 4.48Å |
| 690 | S | 83.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.4 | -48 | -178.7 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | F686 G687 R688 Y692 I693 I694 A841 | F686-S690 VanDerWaalsContact CD1-OG 3.32Å; F686-S690 WeakPolarHBondContact CD1-OG 2.97Å; F686-S690 WeakPolarHBondContact CE1-OG 3.18Å; F686-S690 VanDerWaalsContact O-CB 3.23Å; F686-S690 WeakPolarHBondContact O-CB 3.39Å; F686-S690 PolarHBondContact O-N 2.7Å; F686-S690 PolarHBondContact O-OG 3.47Å; G687-S690 PolarHBondContact O-N 2.79Å; G687-S690 VanDerWaalsContact O-N 3.15Å; R688-S690 VanDerWaalsContact C-N 3.32Å; R688-S690 PolarHBondContact O-N 3.47Å; S690-Y692 VanDerWaalsContact C-N 3.32Å; S690-Y692 PolarHBondContact O-N 2.83Å; S690-I693 PolarHBondContact O-N 2.81Å; S690-I694 VanDerWaalsContact O-CB 3.27Å; S690-I694 WeakPolarHBondContact O-CB 3.41Å; S690-I694 WeakPolarHBondContact O-CD1 3.47Å; S690-I694 WeakPolarHBondContact O-CG1 3.34Å; S690-I694 PolarHBondContact O-N 3.38Å; S690-A841 WeakPolarHBondContact OG-CB 3.43Å |
| 691 | K | 81.5 | Confident | 84.1 | Confident | 13 Ų | 13 | 18.7 Ų | 18.7 | 6% | 0.057 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -52 | -52.8 | 175.6 | -178.3 | 174.8 | 165.2 | -178.3 | 0 | 110.6 | V632 F634 T635 E637 D639 G687 R688 I694 Q695 | V632-K691 HydrophobicContact CG1-CB 3.72Å; V632-K691 HydrophobicContact CG1-CD 4.42Å; V632-K691 HydrophobicContact CG1-CG 4.28Å; F634-K691 HydrophobicContact CD1-CG 4.5Å; T635-K691 VanDerWaalsContact O-CE 3.23Å; T635-K691 WeakPolarHBondContact O-CE 3.25Å; T635-K691 PolarHBondContact OG1-NZ 3.33Å; T635-K691 VanDerWaalsContact OG1-NZ 3.15Å; E637-K691 PolarHBondContact O-NZ 2.97Å; D639-K691 IonicContact OD1-NZ 3.51Å; D639-K691 PolarHBondContact OD1-NZ 3.25Å; D639-K691 IonicContact OD2-NZ 3.78Å; G687-K691 PolarHBondContact O-N 3.35Å; R688-K691 PolarHBondContact O-N 3.28Å; K691-I694 PolarHBondContact O-N 2.94Å; K691-Q695 WeakPolarHBondContact O-CB 3.49Å; K691-Q695 PolarHBondContact O-N 2.83Å |
| 692 | Y | 79.3 | Confident | 84.5 | Confident | 49 Ų | 49 | 18.8 Ų | 18.8 | 19% | 0.192 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 179.6 | -177.1 | -103.7 | 0 | 0 | 0 | 113.2 | T504 R688 Y689 S690 I694 Q695 E696 H745 | T504-Y692 VanDerWaalsContact CG2-CB 3.46Å; T504-Y692 HydrophobicContact CG2-CD1 4.12Å; T504-Y692 HydrophobicContact CG2-CD2 4.04Å; T504-Y692 HydrophobicContact CG2-CG 3.6Å; T504-Y692 WeakPolarHBondContact OG1-CD1 3.32Å; T504-Y692 WeakPolarHBondContact OG1-CE1 3.21Å; R688-Y692 WeakPolarHBondContact O-CB 3.42Å; R688-Y692 PolarHBondContact O-N 3.07Å; R688-Y692 VanDerWaalsContact O-N 3.11Å; Y689-Y692 PolarHBondContact O-N 3.49Å; S690-Y692 VanDerWaalsContact C-N 3.32Å; S690-Y692 PolarHBondContact O-N 2.83Å; Y692-I694 VanDerWaalsContact C-N 3.3Å; Y692-I694 PolarHBondContact O-N 3.14Å; Y692-Q695 PolarHBondContact O-N 3.14Å; Y692-E696 HydrophobicContact CD2-CB 3.84Å; Y692-E696 HydrophobicContact CD2-CG 3.91Å; Y692-E696 HydrophobicContact CE2-CB 3.55Å; Y692-E696 HydrophobicContact CE2-CG 3.77Å; Y692-E696 HydrophobicContact CG-CB 4.43Å; Y692-E696 WeakPolarHBondContact O-CA 3.33Å; Y692-E696 VanDerWaalsContact O-CB 3.32Å; Y692-E696 WeakPolarHBondContact O-CB 3.45Å; Y692-E696 PolarHBondContact O-N 2.79Å; Y692-H745 AromaticContact CZ-NE2 3.88Å; Y692-H745 PolarHBondContact OH-CE1 3.15Å; Y692-H745 PolarHBondContact OH-NE2 3.5Å |
| 693 | I | 78.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.046 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | -178.1 | -65.3 | -68.6 | 0 | 0 | 0 | 111.8 | Y689 S690 R697 A698 S840 | Y689-I693 HydrophobicContact CD2-CD1 4.29Å; Y689-I693 HydrophobicContact CD2-CG1 3.66Å; Y689-I693 HydrophobicContact CE1-CG1 4.26Å; Y689-I693 HydrophobicContact CE2-CD1 3.59Å; Y689-I693 HydrophobicContact CE2-CG1 3.21Å; Y689-I693 HydrophobicContact CG-CG1 4.36Å; Y689-I693 WeakPolarHBondContact O-CB 3.22Å; Y689-I693 VanDerWaalsContact O-CG1 3.25Å; Y689-I693 WeakPolarHBondContact O-CG1 3.23Å; Y689-I693 PolarHBondContact O-N 2.88Å; S690-I693 PolarHBondContact O-N 2.81Å; I693-R697 HydrophobicContact CD1-CB 4.32Å; I693-R697 VanDerWaalsContact CD1-CD 3.49Å; I693-R697 PolarHBondContact O-N 3.47Å; I693-A698 HydrophobicContact CG2-CB 4.02Å; I693-A698 WeakPolarHBondContact O-CB 3.36Å; I693-A698 PolarHBondContact O-N 3.24Å; I693-S840 WeakPolarHBondContact CG2-OG 3.22Å |
| 694 | I | 81.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -64.3 | -52.4 | 177.6 | -70.1 | 167.2 | 0 | 0 | 0 | 110.2 | I628 F634 S690 K691 Y692 L699 S840 Y843 P1006 | I628-I694 HydrophobicContact CD1-CD1 4.47Å; I628-I694 HydrophobicContact CG2-CD1 4.05Å; F634-I694 HydrophobicContact CD1-CG2 4.49Å; F634-I694 HydrophobicContact CE1-CB 4.09Å; F634-I694 HydrophobicContact CE1-CD1 3.82Å; F634-I694 HydrophobicContact CE1-CG2 3.74Å; F634-I694 HydrophobicContact CZ-CD1 3.82Å; F634-I694 HydrophobicContact CZ-CG2 4.34Å; S690-I694 VanDerWaalsContact O-CB 3.27Å; S690-I694 WeakPolarHBondContact O-CB 3.41Å; S690-I694 WeakPolarHBondContact O-CD1 3.47Å; S690-I694 WeakPolarHBondContact O-CG1 3.34Å; S690-I694 PolarHBondContact O-N 3.38Å; K691-I694 PolarHBondContact O-N 2.94Å; Y692-I694 VanDerWaalsContact C-N 3.3Å; Y692-I694 PolarHBondContact O-N 3.14Å; I694-L699 HydrophobicContact CG2-CD1 3.88Å; I694-S840 WeakPolarHBondContact CG1-OG 3.44Å; I694-Y843 HydrophobicContact CD1-CD2 3.64Å; I694-Y843 HydrophobicContact CD1-CE2 3.74Å; I694-Y843 HydrophobicContact CG1-CD2 4.1Å; I694-P1006 HydrophobicContact CG2-CB 4Å; I694-P1006 HydrophobicContact CG2-CG 3.87Å |
| 695 | Q | 78.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 20.3 Ų | 20.3 | 9% | 0.089 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -81.4 | -42 | -172.8 | -68.9 | -179.5 | -41.4 | 0 | 0 | 113.6 | F634 K691 Y692 P708 M1004 | F634-Q695 HydrophobicContact CD1-CG 4.04Å; K691-Q695 WeakPolarHBondContact O-CB 3.49Å; K691-Q695 PolarHBondContact O-N 2.83Å; Y692-Q695 PolarHBondContact O-N 3.14Å; Q695-P708 WeakPolarHBondContact O-CG 3.28Å; Q695-M1004 PolarHBondContact NE2-O 3.49Å |
| 696 | E | 73.8 | Confident | 86.4 | Confident | 61 Ų | 61 | 19.8 Ų | 19.8 | 29% | 0.285 | 9% | 0.085 | S | C | . | . | I | π-helix | trans | -104.4 | -1.7 | -166.6 | -69.1 | -63.7 | 139.9 | 0 | 0 | 114.2 | Y692 P708 R712 | Y692-E696 HydrophobicContact CD2-CB 3.84Å; Y692-E696 HydrophobicContact CD2-CG 3.91Å; Y692-E696 HydrophobicContact CE2-CB 3.55Å; Y692-E696 HydrophobicContact CE2-CG 3.77Å; Y692-E696 HydrophobicContact CG-CB 4.43Å; Y692-E696 WeakPolarHBondContact O-CA 3.33Å; Y692-E696 VanDerWaalsContact O-CB 3.32Å; Y692-E696 WeakPolarHBondContact O-CB 3.45Å; Y692-E696 PolarHBondContact O-N 2.79Å; E696-P708 VanDerWaalsContact C-CG 3.49Å; E696-P708 WeakPolarHBondContact O-CB 3.33Å; E696-P708 WeakPolarHBondContact O-CG 3.47Å; E696-R712 IonicContact OE2-CZ 2.89Å; E696-R712 IonicContact OE2-NH2 3.88Å; E696-R712 PolarHBondContact OE2-NH2 3.18Å |
| 697 | R | 77.1 | Confident | 86.8 | Confident | 92 Ų | 92 | 21.2 Ų | 21.2 | 35% | 0.347 | 9% | 0.092 | S | C | . | . | I | π-helix | trans | -138.7 | -56.3 | -173.8 | -158.1 | 176.1 | -174.8 | 153.4 | 2.6 | 116.1 | D505 I693 | D505-R697 IonicContact OD1-NH1 3.53Å; I693-R697 HydrophobicContact CD1-CB 4.32Å; I693-R697 VanDerWaalsContact CD1-CD 3.49Å; I693-R697 PolarHBondContact O-N 3.47Å |
| 698 | A | 83.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 21 Ų | 21 | 6% | 0.058 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -94.2 | -39 | -157.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I693 K707 I839 | I693-A698 HydrophobicContact CG2-CB 4.02Å; I693-A698 WeakPolarHBondContact O-CB 3.36Å; I693-A698 PolarHBondContact O-N 3.24Å; A698-K707 WeakPolarHBondContact O-CE 3.41Å; A698-K707 PolarHBondContact O-NZ 3.18Å; A698-K707 VanDerWaalsContact O-NZ 3.09Å; A698-I839 WeakPolarHBondContact CB-O 3.03Å |
| 699 | L | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -100 | 149.8 | -172.7 | -59.2 | -176.6 | 0 | 0 | 0 | 112 | I694 T845 V999 I1001 P1006 | I694-L699 HydrophobicContact CG2-CD1 3.88Å; L699-T845 HydrophobicContact CD2-CG2 3.72Å; L699-V999 HydrophobicContact CD1-CG1 4.05Å; L699-I1001 HydrophobicContact CB-CD1 4.19Å; L699-I1001 HydrophobicContact CB-CG1 3.97Å; L699-I1001 HydrophobicContact CD1-CG1 4.5Å; L699-P1006 HydrophobicContact CD1-CB 3.72Å |
| 700 | P | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 152 | 170.9 | 34.2 | -36.7 | 0 | 0 | 0 | 111.2 | L706 L831 I847 A1000 I1001 | P700-L706 WeakPolarHBondContact CA-O 3.49Å; P700-L831 HydrophobicContact CB-CD1 3.94Å; P700-L831 HydrophobicContact CG-CD1 3.77Å; P700-I847 HydrophobicContact CG-CD1 4.42Å; P700-A1000 HydrophobicContact CG-CB 4.3Å; P700-I1001 PolarHBondContact O-N 3.45Å |
| 701 | D | 95.3 | Very high | 89 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 136.7 | 164.9 | -167.9 | -65.9 | 0 | 0 | 0 | 109.8 | R703 G705 L706 V823 | D701-R703 PolarHBondContact O-N 2.95Å; D701-R703 VanDerWaalsContact OD1-CB 3.22Å; D701-R703 WeakPolarHBondContact OD1-CB 3.46Å; D701-R703 VanDerWaalsContact OD1-CG 3.3Å; D701-R703 WeakPolarHBondContact OD1-CG 3.38Å; D701-R703 IonicContact OD1-CZ 2.76Å; D701-R703 PolarHBondContact OD1-N 3.4Å; D701-R703 IonicContact OD1-NE 3.73Å; D701-R703 PolarHBondContact OD1-NE 3.2Å; D701-R703 IonicContact OD1-NH2 2.66Å; D701-R703 IonicContact OD2-CZ 3.2Å; D701-R703 IonicContact OD2-NE 2.72Å; D701-R703 PolarHBondContact OD2-NE 3.02Å; D701-R703 IonicContact OD2-NH2 3.86Å; D701-R703 PolarHBondContact OD2-NH2 3.48Å; D701-G705 WeakPolarHBondContact O-CA 3.41Å; D701-G705 PolarHBondContact O-N 2.89Å; D701-L706 PolarHBondContact N-O 2.96Å; D701-L706 VanDerWaalsContact N-O 3.09Å; D701-V823 HydrophobicContact CB-CG1 4.03Å; D701-V823 VanDerWaalsContact CG-CG1 3.47Å; D701-V823 WeakPolarHBondContact OD2-CG1 3.37Å |
| 702 | I | 96.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25 | -176.3 | -159 | 165.8 | 0 | 0 | 0 | 113.2 | L831 A1000 I1001 D1002 V1009 I1014 | I702-L831 HydrophobicContact CG1-CD2 3.99Å; I702-A1000 HydrophobicContact CB-CB 4.01Å; I702-A1000 HydrophobicContact CG1-CB 4.25Å; I702-I1001 WeakPolarHBondContact CB-O 3.19Å; I702-I1001 WeakPolarHBondContact CG2-O 3.44Å; I702-I1001 PolarHBondContact N-O 3.19Å; I702-D1002 HydrophobicContact CB-CB 4.45Å; I702-D1002 HydrophobicContact CD1-CB 4.28Å; I702-D1002 HydrophobicContact CG2-CB 3.9Å; I702-V1009 HydrophobicContact CD1-CB 4.29Å; I702-V1009 HydrophobicContact CD1-CG1 3.96Å; I702-V1009 HydrophobicContact CD1-CG2 4.14Å; I702-I1014 HydrophobicContact CD1-CG1 4.12Å; I702-I1014 HydrophobicContact CG1-CG1 4.32Å; I702-I1014 HydrophobicContact CG1-CG2 4.48Å |
| 703 | R | 96.5 | Very high | 90.4 | Very high | 68 Ų | 68 | 19 Ų | 19 | 26% | 0.257 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -45.2 | -172.5 | -63.7 | 174.5 | -75.4 | 178 | -2.7 | 113 | D701 V823 H1021 | D701-R703 PolarHBondContact O-N 2.95Å; D701-R703 VanDerWaalsContact OD1-CB 3.22Å; D701-R703 WeakPolarHBondContact OD1-CB 3.46Å; D701-R703 VanDerWaalsContact OD1-CG 3.3Å; D701-R703 WeakPolarHBondContact OD1-CG 3.38Å; D701-R703 IonicContact OD1-CZ 2.76Å; D701-R703 PolarHBondContact OD1-N 3.4Å; D701-R703 IonicContact OD1-NE 3.73Å; D701-R703 PolarHBondContact OD1-NE 3.2Å; D701-R703 IonicContact OD1-NH2 2.66Å; D701-R703 IonicContact OD2-CZ 3.2Å; D701-R703 IonicContact OD2-NE 2.72Å; D701-R703 PolarHBondContact OD2-NE 3.02Å; D701-R703 IonicContact OD2-NH2 3.86Å; D701-R703 PolarHBondContact OD2-NH2 3.48Å; R703-V823 HydrophobicContact CB-CG1 4.33Å; R703-V823 VanDerWaalsContact CZ-CG1 3.46Å; R703-V823 VanDerWaalsContact NH2-CG1 3.3Å; R703-H1021 HydrophobicContact CB-CB 4Å; R703-H1021 HydrophobicContact CG-CB 3.93Å |
| 704 | D | 96.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -10.8 | 179.2 | 68 | 9.1 | 0 | 0 | 0 | 113.9 | L706 R711 M799 V823 L824 A826 N830 | D704-L706 PolarHBondContact O-N 3.49Å; D704-L706 PolarHBondContact OD1-N 3.03Å; D704-R711 IonicContact OD1-CZ 3.05Å; D704-R711 IonicContact OD1-NE 2.69Å; D704-R711 IonicContact OD1-NH2 2.91Å; D704-R711 PolarHBondContact OD1-NH2 3.25Å; D704-R711 IonicContact OD2-CZ 2.67Å; D704-R711 IonicContact OD2-NE 2.88Å; D704-R711 PolarHBondContact OD2-NE 3.1Å; D704-R711 IonicContact OD2-NH2 3.51Å; D704-R711 PolarHBondContact OD2-NH2 3.43Å; D704-M799 WeakPolarHBondContact O-CE 3.13Å; D704-V823 WeakPolarHBondContact OD2-CA 3.31Å; D704-L824 HydrophobicContact CB-CB 4.12Å; D704-L824 PolarHBondContact OD2-N 2.89Å; D704-A826 HydrophobicContact CB-CB 3.94Å; D704-N830 WeakPolarHBondContact O-CB 3.22Å; D704-N830 PolarHBondContact O-ND2 2.86Å; D704-N830 VanDerWaalsContact O-ND2 3.08Å |
| 705 | G | 96 | Very high | 92 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | trans | 70.6 | 12.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D701 | D701-G705 WeakPolarHBondContact O-CA 3.41Å; D701-G705 PolarHBondContact O-N 2.89Å | ||
| 706 | L | 96.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | trans | -105 | 147.2 | -175.7 | -63.2 | 173.8 | 0 | 0 | 0 | 111.2 | P700 D701 D704 Q710 R711 L714 L767 M799 L824 N830 | P700-L706 WeakPolarHBondContact CA-O 3.49Å; D701-L706 PolarHBondContact N-O 2.96Å; D701-L706 VanDerWaalsContact N-O 3.09Å; D704-L706 PolarHBondContact O-N 3.49Å; D704-L706 PolarHBondContact OD1-N 3.03Å; L706-Q710 HydrophobicContact CB-CB 4.27Å; L706-Q710 HydrophobicContact CD2-CB 4.11Å; L706-R711 HydrophobicContact CB-CB 4.28Å; L706-R711 HydrophobicContact CD1-CB 4.36Å; L706-R711 PolarHBondContact O-NH2 2.88Å; L706-L714 HydrophobicContact CD1-CD1 3.7Å; L706-L714 HydrophobicContact CD2-CD1 4.35Å; L706-L767 HydrophobicContact CD2-CD1 3.99Å; L706-M799 HydrophobicContact CD1-CE 3.7Å; L706-M799 HydrophobicContact CD2-CE 4.27Å; L706-M799 HydrophobicContact CG-CE 3.95Å; L706-L824 HydrophobicContact CD1-CD1 3.47Å; L706-L824 VanDerWaalsContact CD1-CD1 3.47Å; L706-L824 HydrophobicContact CD1-CG 4.09Å; L706-N830 WeakPolarHBondContact CD2-ND2 3.46Å | ||
| 707 | K | 94.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 16.2 Ų | 16.2 | 15% | 0.152 | 7% | 0.07 | C | C | . | . | trans | -73 | 154.9 | 161.9 | -60.8 | -172.7 | -177.9 | -163.1 | 0 | 110.1 | A698 V709 Q710 R711 T837 | A698-K707 WeakPolarHBondContact O-CE 3.41Å; A698-K707 PolarHBondContact O-NZ 3.18Å; A698-K707 VanDerWaalsContact O-NZ 3.09Å; K707-V709 VanDerWaalsContact C-N 3.33Å; K707-V709 HydrophobicContact CB-CG1 4.49Å; K707-V709 PolarHBondContact O-N 2.7Å; K707-Q710 HydrophobicContact CB-CG 4.23Å; K707-Q710 WeakPolarHBondContact O-CA 3.36Å; K707-Q710 WeakPolarHBondContact O-CB 3.31Å; K707-Q710 PolarHBondContact O-N 2.8Å; K707-R711 PolarHBondContact O-N 3.05Å; K707-T837 WeakPolarHBondContact CE-O 3.35Å; K707-T837 PolarHBondContact NZ-O 2.84Å | ||
| 708 | P | 90.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -53.2 | -44.3 | -179.8 | -31.7 | 40 | 0 | 0 | 0 | 114.2 | Q695 E696 Q710 R711 R712 | Q695-P708 WeakPolarHBondContact O-CG 3.28Å; E696-P708 VanDerWaalsContact C-CG 3.49Å; E696-P708 WeakPolarHBondContact O-CB 3.33Å; E696-P708 WeakPolarHBondContact O-CG 3.47Å; P708-Q710 VanDerWaalsContact C-N 3.32Å; P708-Q710 PolarHBondContact O-N 3.21Å; P708-R711 WeakPolarHBondContact O-CB 3.4Å; P708-R711 PolarHBondContact O-N 2.97Å; P708-R712 WeakPolarHBondContact O-CB 3.07Å; P708-R712 VanDerWaalsContact O-CG 3.31Å; P708-R712 WeakPolarHBondContact O-CG 3.29Å; P708-R712 PolarHBondContact O-N 2.62Å |
| 709 | V | 92.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 12% | 0.115 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 176 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | K707 I713 I750 A753 | K707-V709 VanDerWaalsContact C-N 3.33Å; K707-V709 HydrophobicContact CB-CG1 4.49Å; K707-V709 PolarHBondContact O-N 2.7Å; V709-I713 HydrophobicContact CG2-CD1 4.04Å; V709-I713 WeakPolarHBondContact O-CB 3.43Å; V709-I713 VanDerWaalsContact O-CD1 3.28Å; V709-I713 WeakPolarHBondContact O-CD1 3.35Å; V709-I713 WeakPolarHBondContact O-CG1 3.44Å; V709-I713 PolarHBondContact O-N 2.76Å; V709-I750 HydrophobicContact CG2-CG1 4.37Å; V709-A753 HydrophobicContact CG1-CB 4.02Å; V709-A753 HydrophobicContact CG2-CB 4.31Å |
| 710 | Q | 95.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 21 Ų | 21 | 13% | 0.131 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68 | -44 | 179.1 | -64.5 | 169.4 | -25.9 | 0 | 0 | 110.7 | L706 K707 P708 I713 L714 M757 | L706-Q710 HydrophobicContact CB-CB 4.27Å; L706-Q710 HydrophobicContact CD2-CB 4.11Å; K707-Q710 HydrophobicContact CB-CG 4.23Å; K707-Q710 WeakPolarHBondContact O-CA 3.36Å; K707-Q710 WeakPolarHBondContact O-CB 3.31Å; K707-Q710 PolarHBondContact O-N 2.8Å; P708-Q710 VanDerWaalsContact C-N 3.32Å; P708-Q710 PolarHBondContact O-N 3.21Å; Q710-I713 WeakPolarHBondContact O-CB 3.35Å; Q710-I713 PolarHBondContact O-N 3.27Å; Q710-L714 WeakPolarHBondContact O-CG 3.46Å; Q710-L714 PolarHBondContact O-N 3.3Å; Q710-M757 HydrophobicContact CB-CE 4.17Å; Q710-M757 HydrophobicContact CB-SD 3.82Å; Q710-M757 HydrophobicContact CG-CE 4.19Å; Q710-M757 HydrophobicContact CG-SD 3.91Å |
| 711 | R | 95.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.4 | -50.3 | 174.5 | -179.8 | 179.8 | -51.4 | 114.2 | 7.2 | 111.9 | D704 L706 K707 P708 I713 L714 Y715 P821 T822 L824 | D704-R711 IonicContact OD1-CZ 3.05Å; D704-R711 IonicContact OD1-NE 2.69Å; D704-R711 IonicContact OD1-NH2 2.91Å; D704-R711 PolarHBondContact OD1-NH2 3.25Å; D704-R711 IonicContact OD2-CZ 2.67Å; D704-R711 IonicContact OD2-NE 2.88Å; D704-R711 PolarHBondContact OD2-NE 3.1Å; D704-R711 IonicContact OD2-NH2 3.51Å; D704-R711 PolarHBondContact OD2-NH2 3.43Å; L706-R711 HydrophobicContact CB-CB 4.28Å; L706-R711 HydrophobicContact CD1-CB 4.36Å; L706-R711 PolarHBondContact O-NH2 2.88Å; K707-R711 PolarHBondContact O-N 3.05Å; P708-R711 WeakPolarHBondContact O-CB 3.4Å; P708-R711 PolarHBondContact O-N 2.97Å; R711-I713 VanDerWaalsContact C-N 3.32Å; R711-I713 PolarHBondContact O-N 3.02Å; R711-L714 PolarHBondContact O-N 3.35Å; R711-Y715 WeakPolarHBondContact O-CB 3.42Å; R711-Y715 PolarHBondContact O-N 3.47Å; R711-P821 WeakPolarHBondContact CD-O 3.45Å; R711-P821 HydrophobicContact CG-CG 4.46Å; R711-T822 VanDerWaalsContact CD-O 3.26Å; R711-T822 WeakPolarHBondContact CD-O 3.46Å; R711-T822 PolarHBondContact NE-O 3.2Å; R711-T822 VanDerWaalsContact NE-O 3.11Å; R711-T822 PolarHBondContact NH1-O 3.33Å; R711-T822 VanDerWaalsContact NH1-O 3.13Å; R711-L824 HydrophobicContact CG-CD2 3.83Å; R711-L824 HydrophobicContact CG-CG 3.97Å |
| 712 | R | 94.5 | Very high | 95.2 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 177.3 | -72.2 | 174.3 | 178 | 148.4 | 23.9 | 111.8 | E696 P708 A716 Y742 H743 E820 | E696-R712 IonicContact OE2-CZ 2.89Å; E696-R712 IonicContact OE2-NH2 3.88Å; E696-R712 PolarHBondContact OE2-NH2 3.18Å; P708-R712 WeakPolarHBondContact O-CB 3.07Å; P708-R712 VanDerWaalsContact O-CG 3.31Å; P708-R712 WeakPolarHBondContact O-CG 3.29Å; P708-R712 PolarHBondContact O-N 2.62Å; R712-A716 WeakPolarHBondContact O-CB 3.41Å; R712-A716 PolarHBondContact O-N 2.9Å; R712-Y742 VanDerWaalsContact CD-O 3.27Å; R712-Y742 WeakPolarHBondContact CD-O 3.33Å; R712-Y742 PolarHBondContact NE-O 3.31Å; R712-Y742 PolarHBondContact NH1-O 3.36Å; R712-H743 PolarHBondContact NH1-ND1 2.95Å; R712-E820 WeakPolarHBondContact CD-OE2 3.23Å; R712-E820 WeakPolarHBondContact CG-OE2 3.5Å; R712-E820 IonicContact CZ-OE1 3.52Å; R712-E820 IonicContact CZ-OE2 3.07Å; R712-E820 VanDerWaalsContact NE-CD 3.31Å; R712-E820 IonicContact NE-OE1 3.16Å; R712-E820 PolarHBondContact NE-OE1 2.81Å; R712-E820 IonicContact NE-OE2 3.82Å; R712-E820 PolarHBondContact NE-OE2 3.08Å; R712-E820 IonicContact NH2-OE1 2.84Å; R712-E820 PolarHBondContact NH2-OE1 3.01Å |
| 713 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -53.4 | 174.6 | -71.9 | 158.4 | 0 | 0 | 0 | 110.9 | V709 Q710 R711 Y715 A716 M717 I738 I750 A753 M754 M757 I768 | V709-I713 HydrophobicContact CG2-CD1 4.04Å; V709-I713 WeakPolarHBondContact O-CB 3.43Å; V709-I713 VanDerWaalsContact O-CD1 3.28Å; V709-I713 WeakPolarHBondContact O-CD1 3.35Å; V709-I713 WeakPolarHBondContact O-CG1 3.44Å; V709-I713 PolarHBondContact O-N 2.76Å; Q710-I713 WeakPolarHBondContact O-CB 3.35Å; Q710-I713 PolarHBondContact O-N 3.27Å; R711-I713 VanDerWaalsContact C-N 3.32Å; R711-I713 PolarHBondContact O-N 3.02Å; I713-Y715 PolarHBondContact O-N 2.82Å; I713-A716 PolarHBondContact O-N 2.92Å; I713-M717 HydrophobicContact CG2-CG 4.45Å; I713-M717 HydrophobicContact CG2-SD 3.69Å; I713-M717 WeakPolarHBondContact O-CB 3.44Å; I713-M717 VanDerWaalsContact O-CG 3.24Å; I713-M717 WeakPolarHBondContact O-CG 3.35Å; I713-M717 PolarHBondContact O-N 3Å; I713-I738 HydrophobicContact CB-CD1 4.21Å; I713-I738 HydrophobicContact CG1-CD1 3.9Å; I713-I738 HydrophobicContact CG2-CD1 4.29Å; I713-I750 HydrophobicContact CD1-CG2 4.13Å; I713-I750 WeakPolarHBondContact CD1-O 3.45Å; I713-I750 HydrophobicContact CG1-CG2 3.87Å; I713-A753 HydrophobicContact CD1-CB 3.58Å; I713-M754 HydrophobicContact CD1-CG 3.8Å; I713-M754 HydrophobicContact CG1-CG 4.03Å; I713-M754 HydrophobicContact CG2-CG 3.63Å; I713-M754 HydrophobicContact CG2-SD 4.44Å; I713-M757 HydrophobicContact CB-CE 3.9Å; I713-M757 HydrophobicContact CD1-CE 3.6Å; I713-M757 HydrophobicContact CG1-CE 4.35Å; I713-M757 HydrophobicContact CG2-CE 3.63Å; I713-I768 HydrophobicContact CG2-CD1 3.66Å |
| 714 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | -176.5 | -61.6 | -175.8 | 0 | 0 | 0 | 111.3 | L706 Q710 R711 N718 M757 L767 I768 L792 M799 L800 L824 | L706-L714 HydrophobicContact CD1-CD1 3.7Å; L706-L714 HydrophobicContact CD2-CD1 4.35Å; Q710-L714 WeakPolarHBondContact O-CG 3.46Å; Q710-L714 PolarHBondContact O-N 3.3Å; R711-L714 PolarHBondContact O-N 3.35Å; L714-N718 WeakPolarHBondContact O-CB 3.47Å; L714-N718 PolarHBondContact O-N 3.09Å; L714-M757 HydrophobicContact CD2-SD 4.22Å; L714-M757 HydrophobicContact CG-SD 4.46Å; L714-L767 HydrophobicContact CD1-CD1 4.28Å; L714-L767 HydrophobicContact CD2-CB 4.24Å; L714-I768 HydrophobicContact CD2-CD1 4.47Å; L714-I768 HydrophobicContact CD2-CG1 4.17Å; L714-L792 HydrophobicContact CB-CD2 4.34Å; L714-L792 HydrophobicContact CD2-CD2 3.46Å; L714-L792 VanDerWaalsContact CD2-CD2 3.46Å; L714-L792 HydrophobicContact CG-CD2 4.48Å; L714-M799 HydrophobicContact CD1-SD 4.41Å; L714-L800 HydrophobicContact CB-CD1 4.17Å; L714-L824 HydrophobicContact CB-CD1 4.23Å; L714-L824 HydrophobicContact CD1-CD1 4.1Å |
| 715 | Y | 96.7 | Very high | 95 | Very high | 28 Ų | 28 | 28.1 Ų | 28.1 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 177.2 | 174.4 | -112.4 | 0 | 0 | 0 | 112.6 | R711 I713 M717 N718 K719 Y742 I803 K819 E820 P821 | R711-Y715 WeakPolarHBondContact O-CB 3.42Å; R711-Y715 PolarHBondContact O-N 3.47Å; I713-Y715 PolarHBondContact O-N 2.82Å; Y715-M717 PolarHBondContact O-N 2.93Å; Y715-N718 WeakPolarHBondContact O-CB 3.41Å; Y715-N718 PolarHBondContact O-N 3.06Å; Y715-N718 VanDerWaalsContact O-N 3.16Å; Y715-K719 PolarHBondContact O-N 2.93Å; Y715-Y742 HydrophobicContact CD1-CE1 4.24Å; Y715-Y742 HydrophobicContact CD1-CE2 4.43Å; Y715-Y742 AromaticContact CE1-CE1 3.85Å; Y715-Y742 HydrophobicContact CE1-CE1 3.85Å; Y715-Y742 AromaticContact CE1-CZ 3.75Å; Y715-I803 HydrophobicContact CD2-CD1 3.63Å; Y715-I803 HydrophobicContact CE2-CD1 4.03Å; Y715-K819 PolarHBondContact OH-O 2.89Å; Y715-K819 VanDerWaalsContact OH-O 3.08Å; Y715-E820 HydrophobicContact CE1-CB 4.41Å; Y715-P821 VanDerWaalsContact CD1-CD 3.47Å; Y715-P821 HydrophobicContact CD1-CG 4.18Å; Y715-P821 HydrophobicContact CD2-CG 3.83Å; Y715-P821 HydrophobicContact CE2-CG 4.3Å; Y715-P821 HydrophobicContact CG-CG 3.75Å |
| 716 | A | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | R712 I713 N718 K719 D720 I738 Y742 | R712-A716 WeakPolarHBondContact O-CB 3.41Å; R712-A716 PolarHBondContact O-N 2.9Å; I713-A716 PolarHBondContact O-N 2.92Å; A716-N718 VanDerWaalsContact C-N 3.29Å; A716-N718 PolarHBondContact O-N 3.33Å; A716-K719 PolarHBondContact O-N 2.82Å; A716-D720 WeakPolarHBondContact O-CB 3.31Å; A716-D720 PolarHBondContact O-N 3.14Å; A716-I738 HydrophobicContact CB-CD1 4.37Å; A716-I738 HydrophobicContact CB-CG1 3.49Å; A716-I738 VanDerWaalsContact CB-CG1 3.49Å; A716-Y742 HydrophobicContact CB-CD2 3.63Å; A716-Y742 HydrophobicContact CB-CE2 3.54Å |
| 717 | M | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 175.5 | -72.4 | 178.2 | 73.1 | 0 | 0 | 111.6 | I713 Y715 G721 N722 M754 I768 A790 R791 L792 | I713-M717 HydrophobicContact CG2-CG 4.45Å; I713-M717 HydrophobicContact CG2-SD 3.69Å; I713-M717 WeakPolarHBondContact O-CB 3.44Å; I713-M717 VanDerWaalsContact O-CG 3.24Å; I713-M717 WeakPolarHBondContact O-CG 3.35Å; I713-M717 PolarHBondContact O-N 3Å; Y715-M717 PolarHBondContact O-N 2.93Å; M717-G721 PolarHBondContact O-N 2.9Å; M717-N722 HydrophobicContact CB-CB 4.26Å; M717-N722 VanDerWaalsContact CE-ND2 3.34Å; M717-N722 WeakPolarHBondContact CE-ND2 3.38Å; M717-N722 WeakPolarHBondContact O-CA 3.5Å; M717-N722 WeakPolarHBondContact O-CB 3.39Å; M717-N722 PolarHBondContact O-N 2.65Å; M717-M754 HydrophobicContact CE-CE 4.38Å; M717-M754 HydrophobicContact SD-CE 3.99Å; M717-I768 HydrophobicContact CE-CD1 4.49Å; M717-I768 HydrophobicContact CE-CG2 4.46Å; M717-I768 HydrophobicContact SD-CD1 3.86Å; M717-I768 HydrophobicContact SD-CG1 4.36Å; M717-A790 HydrophobicContact CE-CB 4.38Å; M717-R791 VanDerWaalsContact CE-C 3.48Å; M717-L792 HydrophobicContact CB-CD1 4.1Å; M717-L792 HydrophobicContact CB-CD2 3.94Å; M717-L792 HydrophobicContact CB-CG 3.86Å; M717-L792 HydrophobicContact CE-CD2 4.3Å; M717-L792 HydrophobicContact CE-CG 4.33Å; M717-L792 HydrophobicContact SD-CD2 4.16Å |
| 718 | N | 96 | Very high | 94.8 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -48 | 175.3 | -169.8 | 60.3 | 0 | 0 | 0 | 112 | L714 Y715 A716 D720 G721 L792 L800 | L714-N718 WeakPolarHBondContact O-CB 3.47Å; L714-N718 PolarHBondContact O-N 3.09Å; Y715-N718 WeakPolarHBondContact O-CB 3.41Å; Y715-N718 PolarHBondContact O-N 3.06Å; Y715-N718 VanDerWaalsContact O-N 3.16Å; A716-N718 VanDerWaalsContact C-N 3.29Å; A716-N718 PolarHBondContact O-N 3.33Å; N718-D720 VanDerWaalsContact C-N 3.28Å; N718-D720 PolarHBondContact O-N 3.3Å; N718-G721 WeakPolarHBondContact O-CA 3.42Å; N718-G721 PolarHBondContact O-N 3.28Å; N718-L792 HydrophobicContact CB-CD1 3.89Å; N718-L800 HydrophobicContact CB-CD1 3.72Å; N718-L800 HydrophobicContact CB-CD2 4.08Å; N718-L800 HydrophobicContact CB-CG 4.36Å |
| 719 | K | 93.5 | Very high | 94.9 | Very high | 102 Ų | 102 | 38.4 Ų | 38.4 | 44% | 0.443 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 178 | -171.9 | -178.9 | 175 | -173.5 | 0 | 112 | Y715 A716 G721 Y742 E818 | Y715-K719 PolarHBondContact O-N 2.93Å; A716-K719 PolarHBondContact O-N 2.82Å; K719-G721 PolarHBondContact O-N 2.85Å; K719-Y742 VanDerWaalsContact CD-OH 3.28Å; K719-Y742 WeakPolarHBondContact CD-OH 3.4Å; K719-Y742 PolarHBondContact NZ-OH 3.39Å; K719-E818 IonicContact NZ-OE1 2.8Å; K719-E818 PolarHBondContact NZ-OE1 2.83Å; K719-E818 IonicContact NZ-OE2 3.7Å; K719-E818 PolarHBondContact NZ-OE2 3.42Å |
| 720 | D | 93 | Very high | 95.1 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.8 | 173.5 | -84.1 | -0.5 | 0 | 0 | 0 | 113.8 | A716 N718 N722 R729 N737 | A716-D720 WeakPolarHBondContact O-CB 3.31Å; A716-D720 PolarHBondContact O-N 3.14Å; N718-D720 VanDerWaalsContact C-N 3.28Å; N718-D720 PolarHBondContact O-N 3.3Å; D720-N722 VanDerWaalsContact C-N 3.33Å; D720-R729 VanDerWaalsContact O-CZ 3.24Å; D720-R729 PolarHBondContact O-NH1 2.85Å; D720-R729 PolarHBondContact O-NH2 2.84Å; D720-N737 PolarHBondContact OD1-ND2 2.88Å; D720-N737 PolarHBondContact OD2-ND2 2.82Å |
| 721 | G | 93 | Very high | 95.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 37.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M717 N718 K719 T723 K726 R729 | M717-G721 PolarHBondContact O-N 2.9Å; N718-G721 WeakPolarHBondContact O-CA 3.42Å; N718-G721 PolarHBondContact O-N 3.28Å; K719-G721 PolarHBondContact O-N 2.85Å; G721-T723 PolarHBondContact O-N 2.76Å; G721-K726 VanDerWaalsContact O-CD 3.25Å; G721-K726 WeakPolarHBondContact O-CD 3.32Å; G721-K726 PolarHBondContact O-NZ 2.71Å; G721-K726 VanDerWaalsContact O-NZ 3.07Å; G721-R729 PolarHBondContact O-NH2 3.34Å; G721-R729 VanDerWaalsContact O-NH2 3.09Å |
| 722 | N | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -89 | 58.1 | 172.4 | -166.8 | 20.9 | 0 | 0 | 0 | 111 | M717 D720 R729 S734 A790 L792 | M717-N722 HydrophobicContact CB-CB 4.26Å; M717-N722 VanDerWaalsContact CE-ND2 3.34Å; M717-N722 WeakPolarHBondContact CE-ND2 3.38Å; M717-N722 WeakPolarHBondContact O-CA 3.5Å; M717-N722 WeakPolarHBondContact O-CB 3.39Å; M717-N722 PolarHBondContact O-N 2.65Å; D720-N722 VanDerWaalsContact C-N 3.33Å; N722-R729 WeakPolarHBondContact OD1-CG 3.29Å; N722-S734 PolarHBondContact ND2-OG 2.99Å; N722-A790 PolarHBondContact ND2-O 2.85Å; N722-A790 PolarHBondContact OD1-O 2.93Å; N722-L792 PolarHBondContact O-N 3.26Å | ||
| 723 | T | 95.4 | Very high | 95 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -99.5 | 164.9 | -169.9 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | G721 D725 K726 L792 | G721-T723 PolarHBondContact O-N 2.76Å; T723-D725 WeakPolarHBondContact CB-OD1 3.36Å; T723-D725 PolarHBondContact O-N 2.91Å; T723-D725 VanDerWaalsContact O-N 3.16Å; T723-D725 PolarHBondContact OG1-OD1 2.95Å; T723-K726 PolarHBondContact O-N 3.42Å; T723-L792 HydrophobicContact CG2-CD1 4.3Å | ||
| 724 | Y | 94.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 47.7 Ų | 47.7 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.3 | -174.5 | 81.4 | -85.2 | 0 | 0 | 0 | 114.4 | K726 R791 L792 Q794 | Y724-K726 VanDerWaalsContact C-N 3.25Å; Y724-K726 PolarHBondContact O-N 2.98Å; Y724-R791 PolarHBondContact O-NH1 3.41Å; Y724-L792 VanDerWaalsContact CA-O 3.23Å; Y724-L792 WeakPolarHBondContact CA-O 3.32Å; Y724-L792 VanDerWaalsContact CB-O 3.26Å; Y724-L792 WeakPolarHBondContact CB-O 3.45Å; Y724-L792 PolarHBondContact N-O 3.22Å; Y724-Q794 HydrophobicContact CD1-CB 4.22Å; Y724-Q794 HydrophobicContact CD1-CG 3.93Å; Y724-Q794 HydrophobicContact CD2-CB 3.92Å; Y724-Q794 HydrophobicContact CD2-CG 3.72Å; Y724-Q794 HydrophobicContact CE1-CG 3.89Å; Y724-Q794 HydrophobicContact CE2-CB 4.4Å; Y724-Q794 HydrophobicContact CE2-CG 3.69Å; Y724-Q794 HydrophobicContact CG-CB 3.83Å; Y724-Q794 HydrophobicContact CG-CG 3.85Å |
| 725 | D | 94.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.5 | 178.9 | 62.6 | -54.6 | 0 | 0 | 0 | 112.8 | T723 | T723-D725 WeakPolarHBondContact CB-OD1 3.36Å; T723-D725 PolarHBondContact O-N 2.91Å; T723-D725 VanDerWaalsContact O-N 3.16Å; T723-D725 PolarHBondContact OG1-OD1 2.95Å |
| 726 | K | 93.8 | Very high | 94.5 | Very high | 89 Ų | 89 | 48 Ų | 48 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -113.7 | 164.7 | -179.8 | -54.4 | -165.5 | -154.2 | 155.3 | 0 | 112.2 | G721 T723 Y724 R791 | G721-K726 VanDerWaalsContact O-CD 3.25Å; G721-K726 WeakPolarHBondContact O-CD 3.32Å; G721-K726 PolarHBondContact O-NZ 2.71Å; G721-K726 VanDerWaalsContact O-NZ 3.07Å; T723-K726 PolarHBondContact O-N 3.42Å; Y724-K726 VanDerWaalsContact C-N 3.25Å; Y724-K726 PolarHBondContact O-N 2.98Å; K726-R791 WeakPolarHBondContact O-CD 3.22Å; K726-R791 PolarHBondContact O-NH1 2.9Å |
| 727 | G | 92.8 | Very high | 94.4 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | trans | -63.9 | 152.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 728 | F | 95.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | trans | -59.6 | 146.1 | 176.3 | -71 | -100.9 | 0 | 0 | 0 | 111.5 | E769 H771 E789 R791 | F728-E769 HydrophobicContact CE1-CB 3.81Å; F728-E769 WeakPolarHBondContact CE1-O 3.46Å; F728-E769 HydrophobicContact CZ-CB 4.01Å; F728-H771 HydrophobicContact CD1-CB 4.28Å; F728-H771 AromaticContact CD1-CG 3.84Å; F728-H771 AromaticContact CD1-ND1 3.97Å; F728-H771 AromaticContact CD2-CE1 3.38Å; F728-H771 WeakPolarHBondContact CD2-CE1 3.34Å; F728-H771 AromaticContact CD2-ND1 3.6Å; F728-H771 AromaticContact CD2-NE2 3.91Å; F728-H771 AromaticContact CE1-CD2 3.61Å; F728-H771 AromaticContact CE1-CG 3.86Å; F728-H771 AromaticContact CE1-NE2 3.85Å; F728-H771 AromaticContact CE2-CD2 3.98Å; F728-H771 AromaticContact CE2-CE1 3.25Å; F728-H771 WeakPolarHBondContact CE2-CE1 3.4Å; F728-H771 AromaticContact CE2-ND1 3.86Å; F728-H771 AromaticContact CE2-NE2 3.34Å; F728-H771 VanDerWaalsContact CE2-NE2 3.34Å; F728-H771 WeakPolarHBondContact CE2-NE2 3.26Å; F728-H771 AromaticContact CG-CE1 3.93Å; F728-H771 AromaticContact CG-ND1 3.68Å; F728-H771 AromaticContact CZ-CD2 3.57Å; F728-H771 AromaticContact CZ-CE1 3.68Å; F728-H771 AromaticContact CZ-NE2 3.3Å; F728-H771 VanDerWaalsContact CZ-NE2 3.3Å; F728-H771 WeakPolarHBondContact CZ-NE2 3.29Å; F728-E789 HydrophobicContact CB-CB 3.8Å; F728-R791 HydrophobicContact CD1-CG 4.04Å; F728-R791 HydrophobicContact CE1-CG 3.9Å; F728-R791 HydrophobicContact CG-CG 4.45Å; F728-R791 HydrophobicContact CZ-CG 4.18Å | ||
| 729 | R | 94.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 26% | 0.26 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.2 | 177.3 | -64.3 | -174.3 | -175.5 | 177.9 | 5.8 | 110.7 | D720 G721 N722 S731 E789 A790 | D720-R729 VanDerWaalsContact O-CZ 3.24Å; D720-R729 PolarHBondContact O-NH1 2.85Å; D720-R729 PolarHBondContact O-NH2 2.84Å; G721-R729 PolarHBondContact O-NH2 3.34Å; G721-R729 VanDerWaalsContact O-NH2 3.09Å; N722-R729 WeakPolarHBondContact OD1-CG 3.29Å; R729-S731 PolarHBondContact O-N 2.96Å; R729-E789 CarbonylContact O-C 3.5Å; R729-E789 WeakPolarHBondContact O-CA 3.49Å; R729-E789 WeakPolarHBondContact O-CB 3.48Å; R729-A790 PolarHBondContact N-O 3.1Å; R729-A790 PolarHBondContact O-N 3.25Å |
| 730 | K | 95.3 | Very high | 93.5 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 124.5 | 176.3 | -68.3 | -70 | 177.1 | -157.6 | 0 | 111.1 | A732 K733 S734 E789 | K730-A732 PolarHBondContact O-N 2.88Å; K730-K733 WeakPolarHBondContact O-CB 3.18Å; K730-K733 PolarHBondContact O-N 2.87Å; K730-S734 PolarHBondContact O-N 2.87Å; K730-E789 HydrophobicContact CD-CG 3.79Å; K730-E789 WeakPolarHBondContact CE-OE1 3.33Å; K730-E789 HydrophobicContact CG-CG 4.4Å; K730-E789 IonicContact NZ-OE1 3.86Å; K730-E789 PolarHBondContact NZ-OE1 2.86Å |
| 731 | S | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -38.4 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | R729 K733 S734 V735 T788 | R729-S731 PolarHBondContact O-N 2.96Å; S731-K733 PolarHBondContact O-N 3.19Å; S731-S734 PolarHBondContact O-N 3.41Å; S731-S734 VanDerWaalsContact O-N 3.12Å; S731-V735 WeakPolarHBondContact O-CB 3.25Å; S731-V735 VanDerWaalsContact O-CG2 3.31Å; S731-V735 WeakPolarHBondContact O-CG2 3.45Å; S731-V735 PolarHBondContact O-N 3.22Å; S731-T788 VanDerWaalsContact CB-OG1 3.28Å; S731-T788 WeakPolarHBondContact CB-OG1 3.4Å; S731-T788 PolarHBondContact N-O 2.82Å; S731-T788 VanDerWaalsContact OG-C 3.31Å; S731-T788 PolarHBondContact OG-O 3.47Å; S731-T788 PolarHBondContact OG-OG1 3.47Å |
| 732 | A | 94.3 | Very high | 93 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54.5 | -34.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K730 G736 M785 | K730-A732 PolarHBondContact O-N 2.88Å; A732-G736 PolarHBondContact O-N 2.7Å; A732-M785 HydrophobicContact CB-CB 4.48Å; A732-M785 HydrophobicContact CB-CG 4.02Å; A732-M785 HydrophobicContact CB-SD 4.17Å; A732-M785 PolarHBondContact N-O 3.05Å |
| 733 | K | 94.3 | Very high | 92.5 | Very high | 139 Ų | 139 | 47.4 Ų | 47.4 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -71.2 | -45.8 | 177.2 | -174.5 | 176.6 | 179.8 | 178.9 | 0 | 111 | K730 S731 G736 N737 | K730-K733 WeakPolarHBondContact O-CB 3.18Å; K730-K733 PolarHBondContact O-N 2.87Å; S731-K733 PolarHBondContact O-N 3.19Å; K733-G736 PolarHBondContact O-N 3.33Å; K733-N737 PolarHBondContact O-N 3.11Å |
| 734 | S | 94.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 177.4 | -51 | 0 | 0 | 0 | 0 | 110.9 | N722 K730 S731 G736 N737 I738 | N722-S734 PolarHBondContact ND2-OG 2.99Å; K730-S734 PolarHBondContact O-N 2.87Å; S731-S734 PolarHBondContact O-N 3.41Å; S731-S734 VanDerWaalsContact O-N 3.12Å; S734-G736 PolarHBondContact O-N 3.26Å; S734-N737 PolarHBondContact O-N 2.99Å; S734-I738 VanDerWaalsContact O-CD1 3.28Å; S734-I738 WeakPolarHBondContact O-CD1 3.39Å; S734-I738 VanDerWaalsContact O-CG1 3.23Å; S734-I738 WeakPolarHBondContact O-CG1 3.34Å; S734-I738 PolarHBondContact O-N 2.9Å |
| 735 | V | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 177 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | S731 N737 I738 M739 D747 I750 Y751 M754 M785 | S731-V735 WeakPolarHBondContact O-CB 3.25Å; S731-V735 VanDerWaalsContact O-CG2 3.31Å; S731-V735 WeakPolarHBondContact O-CG2 3.45Å; S731-V735 PolarHBondContact O-N 3.22Å; V735-N737 VanDerWaalsContact C-N 3.33Å; V735-N737 PolarHBondContact O-N 2.99Å; V735-I738 PolarHBondContact O-N 3.22Å; V735-M739 VanDerWaalsContact O-CB 3.23Å; V735-M739 WeakPolarHBondContact O-CB 3.16Å; V735-M739 PolarHBondContact O-N 3.33Å; V735-D747 HydrophobicContact CG1-CB 3.73Å; V735-I750 HydrophobicContact CB-CG2 4.44Å; V735-I750 HydrophobicContact CG1-CB 4.25Å; V735-I750 HydrophobicContact CG1-CD1 4.43Å; V735-I750 HydrophobicContact CG1-CG2 4.29Å; V735-I750 HydrophobicContact CG2-CG2 4.13Å; V735-Y751 HydrophobicContact CG2-CD2 4.08Å; V735-M754 HydrophobicContact CG2-SD 3.63Å; V735-M785 HydrophobicContact CB-SD 3.92Å; V735-M785 HydrophobicContact CG1-SD 3.82Å; V735-M785 HydrophobicContact CG2-SD 4.13Å |
| 736 | G | 92.2 | Very high | 89.2 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A732 K733 S734 G740 | A732-G736 PolarHBondContact O-N 2.7Å; K733-G736 PolarHBondContact O-N 3.33Å; S734-G736 PolarHBondContact O-N 3.26Å; G736-G740 PolarHBondContact O-N 2.85Å |
| 737 | N | 92.6 | Very high | 88.7 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 176.2 | -173 | 36.1 | 0 | 0 | 0 | 112.2 | D720 K733 S734 V735 G740 N741 | D720-N737 PolarHBondContact OD1-ND2 2.88Å; D720-N737 PolarHBondContact OD2-ND2 2.82Å; K733-N737 PolarHBondContact O-N 3.11Å; S734-N737 PolarHBondContact O-N 2.99Å; V735-N737 VanDerWaalsContact C-N 3.33Å; V735-N737 PolarHBondContact O-N 2.99Å; N737-G740 PolarHBondContact O-N 3.3Å; N737-N741 WeakPolarHBondContact O-CB 3.2Å; N737-N741 PolarHBondContact O-N 3.4Å; N737-N741 PolarHBondContact O-ND2 3.22Å; N737-N741 PolarHBondContact OD1-ND2 3.11Å |
| 738 | I | 93.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 178.5 | -64.6 | 155 | 0 | 0 | 0 | 110.6 | I713 A716 S734 V735 G740 N741 Y742 H743 I750 M754 | I713-I738 HydrophobicContact CB-CD1 4.21Å; I713-I738 HydrophobicContact CG1-CD1 3.9Å; I713-I738 HydrophobicContact CG2-CD1 4.29Å; A716-I738 HydrophobicContact CB-CD1 4.37Å; A716-I738 HydrophobicContact CB-CG1 3.49Å; A716-I738 VanDerWaalsContact CB-CG1 3.49Å; S734-I738 VanDerWaalsContact O-CD1 3.28Å; S734-I738 WeakPolarHBondContact O-CD1 3.39Å; S734-I738 VanDerWaalsContact O-CG1 3.23Å; S734-I738 WeakPolarHBondContact O-CG1 3.34Å; S734-I738 PolarHBondContact O-N 2.9Å; V735-I738 PolarHBondContact O-N 3.22Å; I738-G740 VanDerWaalsContact C-N 3.35Å; I738-N741 PolarHBondContact O-N 3.48Å; I738-Y742 CarbonylContact O-C 3.56Å; I738-Y742 WeakPolarHBondContact O-CA 3.46Å; I738-Y742 PolarHBondContact O-N 2.94Å; I738-H743 HydrophobicContact CG2-CB 4.02Å; I738-H743 PolarHBondContact O-N 2.84Å; I738-I750 HydrophobicContact CB-CD1 4.26Å; I738-I750 HydrophobicContact CB-CG2 4.08Å; I738-I750 HydrophobicContact CD1-CG2 3.92Å; I738-I750 HydrophobicContact CG2-CD1 3.88Å; I738-I750 HydrophobicContact CG2-CG1 4.15Å; I738-I750 HydrophobicContact CG2-CG2 3.85Å; I738-M754 HydrophobicContact CD1-SD 4.37Å |
| 739 | M | 88.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 37% | 0.365 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.2 | -173.1 | -179.6 | 70 | 0 | 0 | 111.8 | V735 H743 D747 I750 | V735-M739 VanDerWaalsContact O-CB 3.23Å; V735-M739 WeakPolarHBondContact O-CB 3.16Å; V735-M739 PolarHBondContact O-N 3.33Å; M739-H743 WeakPolarHBondContact CA-O 3.46Å; M739-D747 HydrophobicContact SD-CB 4.01Å; M739-I750 HydrophobicContact CB-CD1 3.67Å; M739-I750 HydrophobicContact CG-CD1 4.34Å |
| 740 | G | 85.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.5 | -35.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G736 N737 I738 F814 | G736-G740 PolarHBondContact O-N 2.85Å; N737-G740 PolarHBondContact O-N 3.3Å; I738-G740 VanDerWaalsContact C-N 3.35Å; G740-F814 WeakPolarHBondContact O-CZ 3.23Å |
| 741 | N | 88 | Confident | 87.8 | Confident | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -112.3 | -26.1 | -169.8 | -64.5 | -35.7 | 0 | 0 | 0 | 115.1 | N737 I738 N813 | N737-N741 WeakPolarHBondContact O-CB 3.2Å; N737-N741 PolarHBondContact O-N 3.4Å; N737-N741 PolarHBondContact O-ND2 3.22Å; N737-N741 PolarHBondContact OD1-ND2 3.11Å; I738-N741 PolarHBondContact O-N 3.48Å; N741-N813 WeakPolarHBondContact O-CB 3.12Å; N741-N813 PolarHBondContact O-ND2 2.88Å |
| 742 | Y | 88 | Confident | 87.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -32.4 | -169.2 | -55.5 | -63 | 0 | 0 | 0 | 114.8 | R712 Y715 A716 K719 I738 N813 E818 E820 | R712-Y742 VanDerWaalsContact CD-O 3.27Å; R712-Y742 WeakPolarHBondContact CD-O 3.33Å; R712-Y742 PolarHBondContact NE-O 3.31Å; R712-Y742 PolarHBondContact NH1-O 3.36Å; Y715-Y742 HydrophobicContact CD1-CE1 4.24Å; Y715-Y742 HydrophobicContact CD1-CE2 4.43Å; Y715-Y742 AromaticContact CE1-CE1 3.85Å; Y715-Y742 HydrophobicContact CE1-CE1 3.85Å; Y715-Y742 AromaticContact CE1-CZ 3.75Å; A716-Y742 HydrophobicContact CB-CD2 3.63Å; A716-Y742 HydrophobicContact CB-CE2 3.54Å; K719-Y742 VanDerWaalsContact CD-OH 3.28Å; K719-Y742 WeakPolarHBondContact CD-OH 3.4Å; K719-Y742 PolarHBondContact NZ-OH 3.39Å; I738-Y742 CarbonylContact O-C 3.56Å; I738-Y742 WeakPolarHBondContact O-CA 3.46Å; I738-Y742 PolarHBondContact O-N 2.94Å; Y742-N813 HydrophobicContact CD1-CB 4.5Å; Y742-E818 HydrophobicContact CE1-CB 4.33Å; Y742-E818 PolarHBondContact OH-OE2 2.86Å; Y742-E820 HydrophobicContact CD1-CB 3.83Å; Y742-E820 WeakPolarHBondContact CD1-OE2 3.37Å; Y742-E820 HydrophobicContact CE1-CB 4.06Å |
| 743 | H | 85.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | trans | -138.5 | 87.1 | -171.3 | -159.8 | 83.1 | 0 | 0 | 0 | 112.9 | R712 I738 M739 H745 I750 | R712-H743 PolarHBondContact NH1-ND1 2.95Å; I738-H743 HydrophobicContact CG2-CB 4.02Å; I738-H743 PolarHBondContact O-N 2.84Å; M739-H743 WeakPolarHBondContact CA-O 3.46Å; H743-H745 VanDerWaalsContact C-N 3.29Å; H743-H745 AromaticContact CE1-CD2 3.77Å; H743-H745 AromaticContact NE2-CD2 3.81Å; H743-H745 PolarHBondContact O-N 2.78Å; H743-I750 HydrophobicContact CB-CD1 4.12Å; H743-I750 HydrophobicContact CB-CG1 4.16Å | ||
| 744 | P | 75 | Confident | 87.8 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | trans | -78.3 | -5.3 | -170.6 | 31.7 | -35.6 | 0 | 0 | 0 | 114.5 | G746 F814 | P744-G746 PolarHBondContact O-N 3.17Å; P744-F814 HydrophobicContact CB-CD1 4.46Å; P744-F814 HydrophobicContact CB-CD2 4.25Å; P744-F814 HydrophobicContact CB-CE1 4.15Å; P744-F814 HydrophobicContact CB-CE2 3.96Å; P744-F814 HydrophobicContact CB-CG 4.5Å; P744-F814 HydrophobicContact CB-CZ 3.91Å; P744-F814 HydrophobicContact CG-CB 4.41Å; P744-F814 HydrophobicContact CG-CD1 3.88Å; P744-F814 HydrophobicContact CG-CD2 3.89Å; P744-F814 HydrophobicContact CG-CE1 4.07Å; P744-F814 HydrophobicContact CG-CE2 4.11Å; P744-F814 HydrophobicContact CG-CG 3.78Å; P744-F814 HydrophobicContact CG-CZ 4.19Å | ||
| 745 | H | 70.7 | Confident | 87.9 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 25% | 0.25 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -74.4 | 19.3 | -171 | -56.8 | -71.2 | 0 | 0 | 0 | 115.9 | D505 Y692 H743 | D505-H745 IonicContact OD2-ND1 2.78Å; Y692-H745 AromaticContact CZ-NE2 3.88Å; Y692-H745 PolarHBondContact OH-CE1 3.15Å; Y692-H745 PolarHBondContact OH-NE2 3.5Å; H743-H745 VanDerWaalsContact C-N 3.29Å; H743-H745 AromaticContact CE1-CD2 3.77Å; H743-H745 AromaticContact NE2-CD2 3.81Å; H743-H745 PolarHBondContact O-N 2.78Å |
| 746 | G | 69.7 | Low | 87.9 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 22% | 0.216 | 22% | 0.216 | C | C | . | . | trans | 104.6 | 145.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P744 S748 S749 | P744-G746 PolarHBondContact O-N 3.17Å; G746-S748 VanDerWaalsContact C-N 3.31Å; G746-S748 PolarHBondContact O-N 3.06Å; G746-S749 PolarHBondContact O-N 2.72Å; G746-S749 PolarHBondContact O-OG 3.24Å | ||
| 747 | D | 81.9 | Confident | 88.1 | Confident | 75 Ų | 75 | 35 Ų | 35 | 40% | 0.401 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.7 | -32.6 | -177.4 | 62.9 | -35.4 | 0 | 0 | 0 | 113.5 | V735 M739 S749 I750 Y751 M785 | V735-D747 HydrophobicContact CG1-CB 3.73Å; M739-D747 HydrophobicContact SD-CB 4.01Å; D747-S749 PolarHBondContact O-N 2.88Å; D747-I750 PolarHBondContact O-N 3.12Å; D747-Y751 WeakPolarHBondContact O-CB 3.4Å; D747-Y751 PolarHBondContact O-N 3.21Å; D747-M785 HydrophobicContact CB-CE 4.23Å; D747-M785 VanDerWaalsContact OD2-CE 3.28Å; D747-M785 WeakPolarHBondContact OD2-CE 3.35Å |
| 748 | S | 85.9 | Confident | 88.3 | Confident | 67 Ų | 67 | 33.7 Ų | 33.7 | 47% | 0.469 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 179 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | G746 I750 Y751 E752 | G746-S748 VanDerWaalsContact C-N 3.31Å; G746-S748 PolarHBondContact O-N 3.06Å; S748-I750 VanDerWaalsContact C-N 3.33Å; S748-I750 PolarHBondContact O-N 2.87Å; S748-Y751 PolarHBondContact O-N 3Å; S748-E752 WeakPolarHBondContact O-CB 3.39Å; S748-E752 VanDerWaalsContact O-CG 3.31Å; S748-E752 WeakPolarHBondContact O-CG 3.41Å; S748-E752 PolarHBondContact O-N 3.3Å |
| 749 | S | 85.3 | Confident | 88.5 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | -177.9 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | G746 D747 A753 | G746-S749 PolarHBondContact O-N 2.72Å; G746-S749 PolarHBondContact O-OG 3.24Å; D747-S749 PolarHBondContact O-N 2.88Å; S749-A753 WeakPolarHBondContact O-CB 3.42Å; S749-A753 PolarHBondContact O-N 3.09Å |
| 750 | I | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.2 | -48.6 | 177.2 | -58 | 164.6 | 0 | 0 | 0 | 109.4 | V709 I713 V735 I738 M739 H743 D747 S748 A753 M754 | V709-I750 HydrophobicContact CG2-CG1 4.37Å; I713-I750 HydrophobicContact CD1-CG2 4.13Å; I713-I750 WeakPolarHBondContact CD1-O 3.45Å; I713-I750 HydrophobicContact CG1-CG2 3.87Å; V735-I750 HydrophobicContact CB-CG2 4.44Å; V735-I750 HydrophobicContact CG1-CB 4.25Å; V735-I750 HydrophobicContact CG1-CD1 4.43Å; V735-I750 HydrophobicContact CG1-CG2 4.29Å; V735-I750 HydrophobicContact CG2-CG2 4.13Å; I738-I750 HydrophobicContact CB-CD1 4.26Å; I738-I750 HydrophobicContact CB-CG2 4.08Å; I738-I750 HydrophobicContact CD1-CG2 3.92Å; I738-I750 HydrophobicContact CG2-CD1 3.88Å; I738-I750 HydrophobicContact CG2-CG1 4.15Å; I738-I750 HydrophobicContact CG2-CG2 3.85Å; M739-I750 HydrophobicContact CB-CD1 3.67Å; M739-I750 HydrophobicContact CG-CD1 4.34Å; H743-I750 HydrophobicContact CB-CD1 4.12Å; H743-I750 HydrophobicContact CB-CG1 4.16Å; D747-I750 PolarHBondContact O-N 3.12Å; S748-I750 VanDerWaalsContact C-N 3.33Å; S748-I750 PolarHBondContact O-N 2.87Å; I750-A753 PolarHBondContact O-N 2.82Å; I750-M754 HydrophobicContact CG2-SD 4.3Å; I750-M754 WeakPolarHBondContact O-CG 3.02Å; I750-M754 PolarHBondContact O-N 3.16Å |
| 751 | Y | 96 | Very high | 89.1 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | -176.5 | -175.2 | -119.7 | 0 | 0 | 0 | 112.4 | V735 D747 S748 A753 M754 V755 A783 M785 T788 | V735-Y751 HydrophobicContact CG2-CD2 4.08Å; D747-Y751 WeakPolarHBondContact O-CB 3.4Å; D747-Y751 PolarHBondContact O-N 3.21Å; S748-Y751 PolarHBondContact O-N 3Å; Y751-A753 VanDerWaalsContact C-N 3.35Å; Y751-A753 PolarHBondContact O-N 3.44Å; Y751-M754 WeakPolarHBondContact O-CB 3.35Å; Y751-M754 PolarHBondContact O-N 3.31Å; Y751-V755 HydrophobicContact CD1-CG2 4.25Å; Y751-V755 HydrophobicContact CD2-CG2 4.28Å; Y751-V755 HydrophobicContact CE1-CG2 3.83Å; Y751-V755 HydrophobicContact CE2-CG2 3.85Å; Y751-V755 HydrophobicContact CG-CG2 4.46Å; Y751-V755 WeakPolarHBondContact O-CB 3.28Å; Y751-V755 VanDerWaalsContact O-CG2 3.29Å; Y751-V755 WeakPolarHBondContact O-CG2 3.14Å; Y751-V755 PolarHBondContact O-N 2.89Å; Y751-A783 VanDerWaalsContact CE1-O 3.3Å; Y751-A783 WeakPolarHBondContact CE1-O 3.45Å; Y751-A783 PolarHBondContact OH-O 3.02Å; Y751-M785 HydrophobicContact CD1-CB 4.15Å; Y751-M785 HydrophobicContact CD2-CB 3.53Å; Y751-M785 HydrophobicContact CE1-CB 4.11Å; Y751-M785 HydrophobicContact CE2-CB 3.5Å; Y751-M785 VanDerWaalsContact CE2-CB 3.5Å; Y751-M785 HydrophobicContact CG-CB 3.87Å; Y751-T788 WeakPolarHBondContact CE2-OG1 3.31Å; Y751-T788 WeakPolarHBondContact OH-CG2 3.33Å; Y751-T788 PolarHBondContact OH-OG1 2.88Å |
| 752 | E | 93.3 | Very high | 89.4 | Confident | 131 Ų | 131 | 35.6 Ų | 35.6 | 61% | 0.612 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62 | -41.7 | 175.4 | -74.7 | 176.7 | -176.9 | 0 | 0 | 111.9 | S748 V755 R756 | S748-E752 WeakPolarHBondContact O-CB 3.39Å; S748-E752 VanDerWaalsContact O-CG 3.31Å; S748-E752 WeakPolarHBondContact O-CG 3.41Å; S748-E752 PolarHBondContact O-N 3.3Å; E752-V755 PolarHBondContact O-N 2.8Å; E752-R756 WeakPolarHBondContact O-CB 3.38Å; E752-R756 PolarHBondContact O-N 2.89Å |
| 753 | A | 94.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V709 I713 S749 I750 Y751 R756 M757 | V709-A753 HydrophobicContact CG1-CB 4.02Å; V709-A753 HydrophobicContact CG2-CB 4.31Å; I713-A753 HydrophobicContact CD1-CB 3.58Å; S749-A753 WeakPolarHBondContact O-CB 3.42Å; S749-A753 PolarHBondContact O-N 3.09Å; I750-A753 PolarHBondContact O-N 2.82Å; Y751-A753 VanDerWaalsContact C-N 3.35Å; Y751-A753 PolarHBondContact O-N 3.44Å; A753-R756 PolarHBondContact O-N 2.82Å; A753-M757 WeakPolarHBondContact O-CB 3.43Å; A753-M757 WeakPolarHBondContact O-CE 3.23Å; A753-M757 WeakPolarHBondContact O-CG 3.41Å; A753-M757 PolarHBondContact O-N 3.23Å |
| 754 | M | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 173.7 | -75.9 | -177.6 | 69.6 | 0 | 0 | 112.1 | I713 M717 V735 I738 I750 Y751 M757 S758 I768 M770 A790 | I713-M754 HydrophobicContact CD1-CG 3.8Å; I713-M754 HydrophobicContact CG1-CG 4.03Å; I713-M754 HydrophobicContact CG2-CG 3.63Å; I713-M754 HydrophobicContact CG2-SD 4.44Å; M717-M754 HydrophobicContact CE-CE 4.38Å; M717-M754 HydrophobicContact SD-CE 3.99Å; V735-M754 HydrophobicContact CG2-SD 3.63Å; I738-M754 HydrophobicContact CD1-SD 4.37Å; I750-M754 HydrophobicContact CG2-SD 4.3Å; I750-M754 WeakPolarHBondContact O-CG 3.02Å; I750-M754 PolarHBondContact O-N 3.16Å; Y751-M754 WeakPolarHBondContact O-CB 3.35Å; Y751-M754 PolarHBondContact O-N 3.31Å; M754-M757 PolarHBondContact O-N 3.4Å; M754-S758 PolarHBondContact O-N 3.28Å; M754-I768 HydrophobicContact CB-CD1 4.17Å; M754-I768 HydrophobicContact CG-CD1 4.04Å; M754-M770 HydrophobicContact CB-CE 4.36Å; M754-A790 HydrophobicContact CE-CB 3.89Å |
| 755 | V | 96.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -50.6 | 177.6 | 167.3 | 0 | 0 | 0 | 0 | 109.9 | Y751 E752 M757 S758 Q759 M770 N774 P782 | Y751-V755 HydrophobicContact CD1-CG2 4.25Å; Y751-V755 HydrophobicContact CD2-CG2 4.28Å; Y751-V755 HydrophobicContact CE1-CG2 3.83Å; Y751-V755 HydrophobicContact CE2-CG2 3.85Å; Y751-V755 HydrophobicContact CG-CG2 4.46Å; Y751-V755 WeakPolarHBondContact O-CB 3.28Å; Y751-V755 VanDerWaalsContact O-CG2 3.29Å; Y751-V755 WeakPolarHBondContact O-CG2 3.14Å; Y751-V755 PolarHBondContact O-N 2.89Å; E752-V755 PolarHBondContact O-N 2.8Å; V755-M757 VanDerWaalsContact C-N 3.3Å; V755-M757 PolarHBondContact O-N 3.21Å; V755-S758 WeakPolarHBondContact O-CA 3.4Å; V755-S758 WeakPolarHBondContact O-CB 3.28Å; V755-S758 PolarHBondContact O-N 3.03Å; V755-S758 PolarHBondContact O-OG 2.74Å; V755-Q759 HydrophobicContact CG1-CG 4.45Å; V755-Q759 WeakPolarHBondContact O-CG 3.41Å; V755-Q759 PolarHBondContact O-N 2.97Å; V755-M770 HydrophobicContact CG2-CE 3.96Å; V755-M770 HydrophobicContact CG2-SD 4.1Å; V755-N774 HydrophobicContact CG1-CB 4.41Å; V755-N774 WeakPolarHBondContact CG1-O 2.99Å; V755-P782 HydrophobicContact CB-CB 4.46Å; V755-P782 HydrophobicContact CG1-CB 3.79Å; V755-P782 HydrophobicContact CG1-CG 3.98Å; V755-P782 HydrophobicContact CG2-CB 3.85Å; V755-P782 HydrophobicContact CG2-CG 4.13Å |
| 756 | R | 94.9 | Very high | 92.6 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 24% | 0.242 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -44.1 | 179.1 | -175.3 | 174.2 | 177.5 | 83.8 | 2.4 | 111.5 | E752 A753 S758 Q759 L763 T837 E931 | E752-R756 WeakPolarHBondContact O-CB 3.38Å; E752-R756 PolarHBondContact O-N 2.89Å; A753-R756 PolarHBondContact O-N 2.82Å; R756-S758 PolarHBondContact O-N 3.12Å; R756-Q759 PolarHBondContact O-N 2.88Å; R756-Q759 VanDerWaalsContact O-N 3.15Å; R756-L763 HydrophobicContact CG-CD1 4.29Å; R756-L763 WeakPolarHBondContact O-CD1 3.47Å; R756-T837 PolarHBondContact NH2-OG1 2.81Å; R756-E931 IonicContact CZ-OE1 3.52Å; R756-E931 IonicContact NH1-OE1 2.74Å; R756-E931 PolarHBondContact NH1-OE1 2.84Å; R756-E931 IonicContact NH2-OE1 3.84Å; R756-E931 PolarHBondContact NH2-OE1 2.82Å |
| 757 | M | 97.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.9 | 177 | -73.8 | -170.9 | -70.6 | 0 | 0 | 114.8 | Q710 I713 L714 A753 M754 V755 L767 I768 | Q710-M757 HydrophobicContact CB-CE 4.17Å; Q710-M757 HydrophobicContact CB-SD 3.82Å; Q710-M757 HydrophobicContact CG-CE 4.19Å; Q710-M757 HydrophobicContact CG-SD 3.91Å; I713-M757 HydrophobicContact CB-CE 3.9Å; I713-M757 HydrophobicContact CD1-CE 3.6Å; I713-M757 HydrophobicContact CG1-CE 4.35Å; I713-M757 HydrophobicContact CG2-CE 3.63Å; L714-M757 HydrophobicContact CD2-SD 4.22Å; L714-M757 HydrophobicContact CG-SD 4.46Å; A753-M757 WeakPolarHBondContact O-CB 3.43Å; A753-M757 WeakPolarHBondContact O-CE 3.23Å; A753-M757 WeakPolarHBondContact O-CG 3.41Å; A753-M757 PolarHBondContact O-N 3.23Å; M754-M757 PolarHBondContact O-N 3.4Å; V755-M757 VanDerWaalsContact C-N 3.3Å; V755-M757 PolarHBondContact O-N 3.21Å; M757-L767 HydrophobicContact CB-CB 4.34Å; M757-L767 PolarHBondContact O-N 3.49Å; M757-L767 HydrophobicContact SD-CB 4.46Å; M757-L767 HydrophobicContact SD-CD1 4.26Å; M757-I768 HydrophobicContact CB-CB 4.33Å; M757-I768 HydrophobicContact CB-CD1 4.07Å; M757-I768 HydrophobicContact CB-CG1 4.13Å; M757-I768 HydrophobicContact CE-CD1 3.67Å; M757-I768 PolarHBondContact O-N 3.26Å; M757-I768 VanDerWaalsContact O-N 3.11Å; M757-I768 HydrophobicContact SD-CD1 4.49Å |
| 758 | S | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -6.6 | 176.2 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | M754 V755 R756 I768 N774 | M754-S758 PolarHBondContact O-N 3.28Å; V755-S758 WeakPolarHBondContact O-CA 3.4Å; V755-S758 WeakPolarHBondContact O-CB 3.28Å; V755-S758 PolarHBondContact O-N 3.03Å; V755-S758 PolarHBondContact O-OG 2.74Å; R756-S758 PolarHBondContact O-N 3.12Å; S758-I768 WeakPolarHBondContact CA-O 3.41Å; S758-I768 WeakPolarHBondContact CB-O 3.42Å; S758-N774 PolarHBondContact O-ND2 2.92Å; S758-N774 VanDerWaalsContact O-ND2 3.07Å; S758-N774 PolarHBondContact OG-ND2 3.25Å |
| 759 | Q | 96 | Very high | 95.2 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -87.6 | 111.6 | -177.1 | -70.1 | 172.3 | -24.2 | 0 | 0 | 110.3 | V755 R756 W761 K762 L763 N774 | V755-Q759 HydrophobicContact CG1-CG 4.45Å; V755-Q759 WeakPolarHBondContact O-CG 3.41Å; V755-Q759 PolarHBondContact O-N 2.97Å; R756-Q759 PolarHBondContact O-N 2.88Å; R756-Q759 VanDerWaalsContact O-N 3.15Å; Q759-W761 VanDerWaalsContact C-N 3.31Å; Q759-W761 HydrophobicContact CB-CD2 4.32Å; Q759-W761 HydrophobicContact CB-CH2 4.17Å; Q759-W761 HydrophobicContact CB-CZ2 3.96Å; Q759-W761 HydrophobicContact CB-CZ3 4.48Å; Q759-W761 HydrophobicContact CG-CH2 3.76Å; Q759-W761 HydrophobicContact CG-CZ2 3.57Å; Q759-W761 HydrophobicContact CG-CZ3 4.49Å; Q759-W761 PolarHBondContact O-N 3.26Å; Q759-K762 HydrophobicContact CB-CB 3.91Å; Q759-K762 HydrophobicContact CB-CG 3.71Å; Q759-K762 PolarHBondContact O-N 3.43Å; Q759-K762 VanDerWaalsContact OE1-CG 3.28Å; Q759-L763 PolarHBondContact O-N 3.24Å; Q759-N774 PolarHBondContact NE2-O 2.87Å | ||
| 760 | D | 93.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 57% | 0.572 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.9 | -178.2 | 61 | -22.6 | 0 | 0 | 0 | 113.8 | K762 L763 V766 P883 | D760-K762 VanDerWaalsContact C-N 3.34Å; D760-L763 VanDerWaalsContact O-O 3.1Å; D760-V766 HydrophobicContact CB-CG1 4Å; D760-P883 WeakPolarHBondContact O-CB 3.45Å |
| 761 | W | 94.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.5 | 168.5 | 65.7 | 91.6 | 0 | 0 | 0 | 113.8 | Q759 G775 S776 M777 P883 T884 | Q759-W761 VanDerWaalsContact C-N 3.31Å; Q759-W761 HydrophobicContact CB-CD2 4.32Å; Q759-W761 HydrophobicContact CB-CH2 4.17Å; Q759-W761 HydrophobicContact CB-CZ2 3.96Å; Q759-W761 HydrophobicContact CB-CZ3 4.48Å; Q759-W761 HydrophobicContact CG-CH2 3.76Å; Q759-W761 HydrophobicContact CG-CZ2 3.57Å; Q759-W761 HydrophobicContact CG-CZ3 4.49Å; Q759-W761 PolarHBondContact O-N 3.26Å; W761-G775 VanDerWaalsContact CH2-O 3.25Å; W761-G775 WeakPolarHBondContact CH2-O 3.37Å; W761-S776 VanDerWaalsContact CZ2-C 3.48Å; W761-M777 HydrophobicContact CG-CB 4.36Å; W761-P883 WeakPolarHBondContact O-CG 3.42Å; W761-T884 HydrophobicContact CB-CG2 4.12Å |
| 762 | K | 94.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -38.5 | 177 | -61.6 | -58.4 | -168.2 | -177.9 | 0 | 112.4 | Q759 D760 Y930 E931 | Q759-K762 HydrophobicContact CB-CB 3.91Å; Q759-K762 HydrophobicContact CB-CG 3.71Å; Q759-K762 PolarHBondContact O-N 3.43Å; Q759-K762 VanDerWaalsContact OE1-CG 3.28Å; D760-K762 VanDerWaalsContact C-N 3.34Å; K762-Y930 WeakPolarHBondContact O-CE2 3.31Å; K762-Y930 PolarHBondContact O-OH 2.87Å; K762-E931 WeakPolarHBondContact CD-OE1 3.31Å; K762-E931 VanDerWaalsContact NZ-CD 3.35Å; K762-E931 IonicContact NZ-OE1 3.54Å; K762-E931 IonicContact NZ-OE2 2.62Å; K762-E931 PolarHBondContact NZ-OE2 2.9Å |
| 763 | L | 95.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | trans | -108.4 | 142.7 | 177.9 | -84 | 69.2 | 0 | 0 | 0 | 110.1 | R756 Q759 D760 Q765 L767 N834 | R756-L763 HydrophobicContact CG-CD1 4.29Å; R756-L763 WeakPolarHBondContact O-CD1 3.47Å; Q759-L763 PolarHBondContact O-N 3.24Å; D760-L763 VanDerWaalsContact O-O 3.1Å; L763-Q765 VanDerWaalsContact C-N 3.28Å; L763-L767 HydrophobicContact CD2-CD1 4.32Å; L763-L767 HydrophobicContact CD2-CG 4.07Å; L763-N834 HydrophobicContact CD2-CB 4.43Å; L763-N834 HydrophobicContact CG-CB 4.3Å | ||
| 764 | R | 95.7 | Very high | 95.6 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -69.2 | -32.5 | 172.5 | -167.8 | 62.5 | 179.7 | 98.1 | -0.2 | 112 | V833 N834 T849 D881 N1145 E1146 | R764-V833 VanDerWaalsContact CB-O 3.31Å; R764-V833 WeakPolarHBondContact CB-O 3.27Å; R764-N834 PolarHBondContact N-OD1 2.89Å; R764-T849 HydrophobicContact CB-CG2 4.36Å; R764-D881 IonicContact CZ-OD2 3.63Å; R764-D881 VanDerWaalsContact CZ-OD2 3.3Å; R764-D881 IonicContact NE-OD2 2.66Å; R764-D881 PolarHBondContact NE-OD2 3.24Å; R764-D881 IonicContact NH2-OD2 3.31Å; R764-D881 PolarHBondContact NH2-OD2 2.98Å; R764-N1145 PolarHBondContact NH1-ND2 3.01Å; R764-N1145 VanDerWaalsContact NH1-ND2 3.17Å; R764-E1146 PolarHBondContact NH2-O 3.36Å |
| 765 | Q | 96.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 34.8 Ų | 34.8 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -134.3 | 107.5 | 175.8 | -60.8 | -66.1 | -14.8 | 0 | 0 | 109.4 | L763 L767 L795 V833 N834 N1145 | L763-Q765 VanDerWaalsContact C-N 3.28Å; Q765-L767 PolarHBondContact O-N 2.9Å; Q765-L795 HydrophobicContact CB-CD2 3.46Å; Q765-L795 VanDerWaalsContact CB-CD2 3.46Å; Q765-L795 HydrophobicContact CG-CD2 3.73Å; Q765-V833 HydrophobicContact CB-CG1 4.22Å; Q765-V833 HydrophobicContact CG-CG1 3.66Å; Q765-N834 PolarHBondContact N-OD1 3.02Å; Q765-N834 PolarHBondContact O-ND2 2.92Å; Q765-N834 PolarHBondContact O-OD1 2.83Å; Q765-N834 VanDerWaalsContact O-OD1 3.04Å; Q765-N1145 PolarHBondContact NE2-ND2 3.13Å |
| 766 | V | 96.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 35.9 Ų | 35.9 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | trans | -60 | 133.1 | 179.2 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | D760 S793 | D760-V766 HydrophobicContact CB-CG1 4Å; V766-S793 VanDerWaalsContact O-CB 3.23Å; V766-S793 WeakPolarHBondContact O-CB 3.43Å; V766-S793 PolarHBondContact O-OG 2.85Å; V766-S793 VanDerWaalsContact O-OG 3.06Å | ||
| 767 | L | 97.7 | Very high | 95 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -95.9 | -20.7 | 180 | -60.3 | 178 | 0 | 0 | 0 | 111.7 | L706 L714 M757 L763 Q765 S793 S796 M799 Y828 | L706-L767 HydrophobicContact CD2-CD1 3.99Å; L714-L767 HydrophobicContact CD1-CD1 4.28Å; L714-L767 HydrophobicContact CD2-CB 4.24Å; M757-L767 HydrophobicContact CB-CB 4.34Å; M757-L767 PolarHBondContact O-N 3.49Å; M757-L767 HydrophobicContact SD-CB 4.46Å; M757-L767 HydrophobicContact SD-CD1 4.26Å; L763-L767 HydrophobicContact CD2-CD1 4.32Å; L763-L767 HydrophobicContact CD2-CG 4.07Å; Q765-L767 PolarHBondContact O-N 2.9Å; L767-S793 WeakPolarHBondContact CA-OG 3.5Å; L767-S793 PolarHBondContact O-N 3.39Å; L767-S793 PolarHBondContact O-OG 3.02Å; L767-S796 VanDerWaalsContact O-CB 3.25Å; L767-S796 WeakPolarHBondContact O-CB 3.19Å; L767-S796 PolarHBondContact O-OG 3.47Å; L767-M799 HydrophobicContact CD1-SD 4.43Å; L767-M799 HydrophobicContact CD2-SD 3.86Å; L767-Y828 WeakPolarHBondContact CD2-OH 3.42Å |
| 768 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130 | 177.2 | -66.6 | 179.8 | 0 | 0 | 0 | 108.7 | I713 L714 M717 M754 M757 S758 A790 R791 | I713-I768 HydrophobicContact CG2-CD1 3.66Å; L714-I768 HydrophobicContact CD2-CD1 4.47Å; L714-I768 HydrophobicContact CD2-CG1 4.17Å; M717-I768 HydrophobicContact CE-CD1 4.49Å; M717-I768 HydrophobicContact CE-CG2 4.46Å; M717-I768 HydrophobicContact SD-CD1 3.86Å; M717-I768 HydrophobicContact SD-CG1 4.36Å; M754-I768 HydrophobicContact CB-CD1 4.17Å; M754-I768 HydrophobicContact CG-CD1 4.04Å; M757-I768 HydrophobicContact CB-CB 4.33Å; M757-I768 HydrophobicContact CB-CD1 4.07Å; M757-I768 HydrophobicContact CB-CG1 4.13Å; M757-I768 HydrophobicContact CE-CD1 3.67Å; M757-I768 PolarHBondContact O-N 3.26Å; M757-I768 VanDerWaalsContact O-N 3.11Å; M757-I768 HydrophobicContact SD-CD1 4.49Å; S758-I768 WeakPolarHBondContact CA-O 3.41Å; S758-I768 WeakPolarHBondContact CB-O 3.42Å; I768-A790 HydrophobicContact CG2-CB 3.71Å; I768-R791 WeakPolarHBondContact CA-O 3.47Å |
| 769 | E | 97.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.6 | 167.9 | -66 | 173.3 | -162.9 | 0 | 0 | 108.2 | F728 A790 R791 | F728-E769 HydrophobicContact CE1-CB 3.81Å; F728-E769 WeakPolarHBondContact CE1-O 3.46Å; F728-E769 HydrophobicContact CZ-CB 4.01Å; E769-A790 CarbonylContact O-C 3.1Å; E769-A790 WeakPolarHBondContact O-CA 3.27Å; E769-R791 HydrophobicContact CB-CG 4.04Å; E769-R791 PolarHBondContact N-O 2.97Å; E769-R791 PolarHBondContact O-N 3.1Å; E769-R791 IonicContact OE2-CZ 3.07Å; E769-R791 IonicContact OE2-NE 3.05Å; E769-R791 PolarHBondContact OE2-NE 3.3Å; E769-R791 IonicContact OE2-NH2 2.77Å; E769-R791 PolarHBondContact OE2-NH2 2.85Å |
| 770 | M | 96.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | -177.8 | -167.7 | 174.2 | -65.4 | 0 | 0 | 111.7 | M754 V755 N774 T788 E789 A790 | M754-M770 HydrophobicContact CB-CE 4.36Å; V755-M770 HydrophobicContact CG2-CE 3.96Å; V755-M770 HydrophobicContact CG2-SD 4.1Å; M770-N774 HydrophobicContact CB-CB 4.4Å; M770-N774 HydrophobicContact CG-CB 4.31Å; M770-N774 HydrophobicContact SD-CB 3.66Å; M770-T788 HydrophobicContact SD-CG2 4.12Å; M770-E789 CarbonylContact C-O 3.59Å; M770-E789 WeakPolarHBondContact CA-O 3.44Å; M770-E789 WeakPolarHBondContact CG-O 3.36Å; M770-A790 HydrophobicContact CE-CB 4.25Å; M770-A790 HydrophobicContact CG-CB 4.42Å |
| 771 | H | 94.5 | Very high | 94.1 | Very high | 100 Ų | 100 | 42 Ų | 42 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.5 | 167.4 | -77.4 | -179.1 | 0 | 0 | 0 | 110.6 | F728 T788 E789 | F728-H771 HydrophobicContact CD1-CB 4.28Å; F728-H771 AromaticContact CD1-CG 3.84Å; F728-H771 AromaticContact CD1-ND1 3.97Å; F728-H771 AromaticContact CD2-CE1 3.38Å; F728-H771 WeakPolarHBondContact CD2-CE1 3.34Å; F728-H771 AromaticContact CD2-ND1 3.6Å; F728-H771 AromaticContact CD2-NE2 3.91Å; F728-H771 AromaticContact CE1-CD2 3.61Å; F728-H771 AromaticContact CE1-CG 3.86Å; F728-H771 AromaticContact CE1-NE2 3.85Å; F728-H771 AromaticContact CE2-CD2 3.98Å; F728-H771 AromaticContact CE2-CE1 3.25Å; F728-H771 WeakPolarHBondContact CE2-CE1 3.4Å; F728-H771 AromaticContact CE2-ND1 3.86Å; F728-H771 AromaticContact CE2-NE2 3.34Å; F728-H771 VanDerWaalsContact CE2-NE2 3.34Å; F728-H771 WeakPolarHBondContact CE2-NE2 3.26Å; F728-H771 AromaticContact CG-CE1 3.93Å; F728-H771 AromaticContact CG-ND1 3.68Å; F728-H771 AromaticContact CZ-CD2 3.57Å; F728-H771 AromaticContact CZ-CE1 3.68Å; F728-H771 AromaticContact CZ-NE2 3.3Å; F728-H771 VanDerWaalsContact CZ-NE2 3.3Å; F728-H771 WeakPolarHBondContact CZ-NE2 3.29Å; H771-T788 VanDerWaalsContact O-CA 3.25Å; H771-T788 WeakPolarHBondContact O-CA 3.22Å; H771-T788 WeakPolarHBondContact O-CB 3.42Å; H771-E789 HydrophobicContact CB-CB 4.36Å; H771-E789 PolarHBondContact N-O 3.46Å; H771-E789 PolarHBondContact O-N 3.45Å |
| 772 | G | 91.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 100.6 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N774 | G772-N774 PolarHBondContact O-N 3.4Å; G772-N774 VanDerWaalsContact O-N 3.16Å |
| 773 | N | 93 | Very high | 94 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | trans | -72 | 107.3 | 176.6 | 177.5 | 22.3 | 0 | 0 | 0 | 109.7 | G775 P781 A783 | N773-G775 VanDerWaalsContact C-N 3.29Å; N773-G775 WeakPolarHBondContact OD1-CA 3.43Å; N773-G775 PolarHBondContact OD1-N 2.92Å; N773-G775 PolarHBondContact OD1-O 3.38Å; N773-P781 PolarHBondContact ND2-O 3.07Å; N773-A783 HydrophobicContact CB-CB 4.09Å; N773-A783 PolarHBondContact O-N 3.4Å | ||
| 774 | N | 94.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | trans | -94.7 | 20.8 | 173 | 67.7 | -20.6 | 0 | 0 | 0 | 112.2 | V755 S758 Q759 M770 G772 | V755-N774 HydrophobicContact CG1-CB 4.41Å; V755-N774 WeakPolarHBondContact CG1-O 2.99Å; S758-N774 PolarHBondContact O-ND2 2.92Å; S758-N774 VanDerWaalsContact O-ND2 3.07Å; S758-N774 PolarHBondContact OG-ND2 3.25Å; Q759-N774 PolarHBondContact NE2-O 2.87Å; M770-N774 HydrophobicContact CB-CB 4.4Å; M770-N774 HydrophobicContact CG-CB 4.31Å; M770-N774 HydrophobicContact SD-CB 3.66Å; G772-N774 PolarHBondContact O-N 3.4Å; G772-N774 VanDerWaalsContact O-N 3.16Å | ||
| 775 | G | 93.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | trans | 98.6 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W761 N773 D780 | W761-G775 VanDerWaalsContact CH2-O 3.25Å; W761-G775 WeakPolarHBondContact CH2-O 3.37Å; N773-G775 VanDerWaalsContact C-N 3.29Å; N773-G775 WeakPolarHBondContact OD1-CA 3.43Å; N773-G775 PolarHBondContact OD1-N 2.92Å; N773-G775 PolarHBondContact OD1-O 3.38Å; G775-D780 VanDerWaalsContact CA-O 3.24Å; G775-D780 WeakPolarHBondContact CA-O 3.5Å | ||
| 776 | S | 91.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -141.3 | 164.1 | 176.7 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | W761 D778 G779 D780 | W761-S776 VanDerWaalsContact CZ2-C 3.48Å; S776-D778 PolarHBondContact O-N 2.71Å; S776-D778 WeakPolarHBondContact OG-CB 3.33Å; S776-D778 PolarHBondContact OG-N 3.11Å; S776-G779 PolarHBondContact O-N 3.02Å; S776-G779 VanDerWaalsContact O-N 3.08Å; S776-D780 PolarHBondContact N-O 3.38Å; S776-D780 VanDerWaalsContact OG-CB 3.26Å; S776-D780 WeakPolarHBondContact OG-CB 3.36Å; S776-D780 VanDerWaalsContact OG-CG 3.27Å; S776-D780 PolarHBondContact OG-N 2.94Å; S776-D780 VanDerWaalsContact OG-N 3.15Å; S776-D780 PolarHBondContact OG-OD2 2.84Å | ||
| 777 | M | 91.2 | Very high | 93.3 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.9 | 168.7 | 66.6 | 179.8 | 68 | 0 | 0 | 113.2 | W761 G779 N933 K934 L965 | W761-M777 HydrophobicContact CG-CB 4.36Å; M777-G779 PolarHBondContact O-N 2.83Å; M777-N933 WeakPolarHBondContact O-CA 3.37Å; M777-K934 HydrophobicContact CG-CB 4.2Å; M777-K934 HydrophobicContact CG-CD 4.45Å; M777-K934 PolarHBondContact O-N 2.84Å; M777-K934 VanDerWaalsContact O-N 3.1Å; M777-K934 HydrophobicContact SD-CB 4.44Å; M777-K934 HydrophobicContact SD-CD 3.95Å; M777-L965 HydrophobicContact SD-CD1 3.72Å |
| 778 | D | 91.8 | Very high | 93.2 | Very high | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4 | 173.1 | -67.9 | -55.9 | 0 | 0 | 0 | 112.7 | S776 D780 N933 K934 A935 | S776-D778 PolarHBondContact O-N 2.71Å; S776-D778 WeakPolarHBondContact OG-CB 3.33Å; S776-D778 PolarHBondContact OG-N 3.11Å; D778-D780 VanDerWaalsContact C-N 3.34Å; D778-N933 PolarHBondContact O-ND2 3.3Å; D778-N933 PolarHBondContact O-OD1 2.9Å; D778-K934 WeakPolarHBondContact OD1-CB 3.26Å; D778-K934 WeakPolarHBondContact OD1-CE 3.42Å; D778-K934 IonicContact OD1-NZ 2.67Å; D778-K934 WeakPolarHBondContact OD2-CE 3.29Å; D778-K934 IonicContact OD2-NZ 3.75Å; D778-K934 PolarHBondContact OD2-NZ 3.36Å; D778-A935 HydrophobicContact CB-CB 3.97Å; D778-A935 PolarHBondContact OD1-N 2.93Å |
| 779 | G | 88.1 | Confident | 93.2 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | trans | 78.3 | 20 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S776 M777 N933 | S776-G779 PolarHBondContact O-N 3.02Å; S776-G779 VanDerWaalsContact O-N 3.08Å; M777-G779 PolarHBondContact O-N 2.83Å; G779-N933 WeakPolarHBondContact CA-ND2 3.45Å; G779-N933 PolarHBondContact N-ND2 3.19Å | ||
| 780 | D | 91.9 | Very high | 93.2 | Very high | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.5 | 166.9 | -61 | -59.7 | 0 | 0 | 0 | 108.7 | G775 S776 D778 | G775-D780 VanDerWaalsContact CA-O 3.24Å; G775-D780 WeakPolarHBondContact CA-O 3.5Å; S776-D780 PolarHBondContact N-O 3.38Å; S776-D780 VanDerWaalsContact OG-CB 3.26Å; S776-D780 WeakPolarHBondContact OG-CB 3.36Å; S776-D780 VanDerWaalsContact OG-CG 3.27Å; S776-D780 PolarHBondContact OG-N 2.94Å; S776-D780 VanDerWaalsContact OG-N 3.15Å; S776-D780 PolarHBondContact OG-OD2 2.84Å; D778-D780 VanDerWaalsContact C-N 3.34Å |
| 781 | P | 92.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 149.9 | 178.6 | 27.9 | -34.3 | 0 | 0 | 0 | 110.1 | N773 | N773-P781 PolarHBondContact ND2-O 3.07Š|
| 782 | P | 93.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 150.6 | 170.9 | 28.4 | -36.1 | 0 | 0 | 0 | 110.5 | V755 | V755-P782 HydrophobicContact CB-CB 4.46Å; V755-P782 HydrophobicContact CG1-CB 3.79Å; V755-P782 HydrophobicContact CG1-CG 3.98Å; V755-P782 HydrophobicContact CG2-CB 3.85Å; V755-P782 HydrophobicContact CG2-CG 4.13Å |
| 783 | A | 94.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 151.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y751 N773 T788 | Y751-A783 VanDerWaalsContact CE1-O 3.3Å; Y751-A783 WeakPolarHBondContact CE1-O 3.45Å; Y751-A783 PolarHBondContact OH-O 3.02Å; N773-A783 HydrophobicContact CB-CB 4.09Å; N773-A783 PolarHBondContact O-N 3.4Å; A783-T788 HydrophobicContact CB-CG2 4.11Å |
| 784 | A | 91.3 | Very high | 93.8 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 147 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R786 Y787 | A784-R786 HydrophobicContact CB-CG 4.16Å; A784-R786 PolarHBondContact O-N 2.77Å; A784-Y787 HydrophobicContact CB-CD2 4.26Å; A784-Y787 PolarHBondContact O-N 2.7Å |
| 785 | M | 93.1 | Very high | 93.8 | Very high | 48 Ų | 48 | 50 Ų | 50 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -18 | -175.3 | 64.3 | 174.4 | 172.9 | 0 | 0 | 116.2 | A732 V735 D747 Y751 Y787 | A732-M785 HydrophobicContact CB-CB 4.48Å; A732-M785 HydrophobicContact CB-CG 4.02Å; A732-M785 HydrophobicContact CB-SD 4.17Å; A732-M785 PolarHBondContact N-O 3.05Å; V735-M785 HydrophobicContact CB-SD 3.92Å; V735-M785 HydrophobicContact CG1-SD 3.82Å; V735-M785 HydrophobicContact CG2-SD 4.13Å; D747-M785 HydrophobicContact CB-CE 4.23Å; D747-M785 VanDerWaalsContact OD2-CE 3.28Å; D747-M785 WeakPolarHBondContact OD2-CE 3.35Å; Y751-M785 HydrophobicContact CD1-CB 4.15Å; Y751-M785 HydrophobicContact CD2-CB 3.53Å; Y751-M785 HydrophobicContact CE1-CB 4.11Å; Y751-M785 HydrophobicContact CE2-CB 3.5Å; Y751-M785 VanDerWaalsContact CE2-CB 3.5Å; Y751-M785 HydrophobicContact CG-CB 3.87Å; M785-Y787 VanDerWaalsContact C-N 3.28Å |
| 786 | R | 90.7 | Very high | 93.9 | Very high | 164 Ų | 164 | 49.6 Ų | 49.6 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.9 | 173.4 | 65.6 | -173.2 | -179.7 | -163.1 | 0.2 | 113.7 | A784 | A784-R786 HydrophobicContact CB-CG 4.16Å; A784-R786 PolarHBondContact O-N 2.77Å |
| 787 | Y | 93.8 | Very high | 94.1 | Very high | 146 Ų | 146 | 49.4 Ų | 49.4 | 57% | 0.573 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -107.1 | -1.1 | -178 | -58.2 | -60.2 | 0 | 0 | 0 | 113.6 | A784 M785 | A784-Y787 HydrophobicContact CB-CD2 4.26Å; A784-Y787 PolarHBondContact O-N 2.7Å; M785-Y787 VanDerWaalsContact C-N 3.28Å |
| 788 | T | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -111.9 | 153 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | S731 Y751 M770 H771 A783 | S731-T788 VanDerWaalsContact CB-OG1 3.28Å; S731-T788 WeakPolarHBondContact CB-OG1 3.4Å; S731-T788 PolarHBondContact N-O 2.82Å; S731-T788 VanDerWaalsContact OG-C 3.31Å; S731-T788 PolarHBondContact OG-O 3.47Å; S731-T788 PolarHBondContact OG-OG1 3.47Å; Y751-T788 WeakPolarHBondContact CE2-OG1 3.31Å; Y751-T788 WeakPolarHBondContact OH-CG2 3.33Å; Y751-T788 PolarHBondContact OH-OG1 2.88Å; M770-T788 HydrophobicContact SD-CG2 4.12Å; H771-T788 VanDerWaalsContact O-CA 3.25Å; H771-T788 WeakPolarHBondContact O-CA 3.22Å; H771-T788 WeakPolarHBondContact O-CB 3.42Å; A783-T788 HydrophobicContact CB-CG2 4.11Å | ||
| 789 | E | 97 | Very high | 94.5 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.9 | 172.7 | -62 | 174.1 | -172 | 0 | 0 | 108.8 | F728 R729 K730 M770 H771 | F728-E789 HydrophobicContact CB-CB 3.8Å; R729-E789 CarbonylContact O-C 3.5Å; R729-E789 WeakPolarHBondContact O-CA 3.49Å; R729-E789 WeakPolarHBondContact O-CB 3.48Å; K730-E789 HydrophobicContact CD-CG 3.79Å; K730-E789 WeakPolarHBondContact CE-OE1 3.33Å; K730-E789 HydrophobicContact CG-CG 4.4Å; K730-E789 IonicContact NZ-OE1 3.86Å; K730-E789 PolarHBondContact NZ-OE1 2.86Å; M770-E789 CarbonylContact C-O 3.59Å; M770-E789 WeakPolarHBondContact CA-O 3.44Å; M770-E789 WeakPolarHBondContact CG-O 3.36Å; H771-E789 HydrophobicContact CB-CB 4.36Å; H771-E789 PolarHBondContact N-O 3.46Å; H771-E789 PolarHBondContact O-N 3.45Å |
| 790 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M717 N722 R729 M754 I768 E769 M770 | M717-A790 HydrophobicContact CE-CB 4.38Å; N722-A790 PolarHBondContact ND2-O 2.85Å; N722-A790 PolarHBondContact OD1-O 2.93Å; R729-A790 PolarHBondContact N-O 3.1Å; R729-A790 PolarHBondContact O-N 3.25Å; M754-A790 HydrophobicContact CE-CB 3.89Å; I768-A790 HydrophobicContact CG2-CB 3.71Å; E769-A790 CarbonylContact O-C 3.1Å; E769-A790 WeakPolarHBondContact O-CA 3.27Å; M770-A790 HydrophobicContact CE-CB 4.25Å; M770-A790 HydrophobicContact CG-CB 4.42Å |
| 791 | R | 97.1 | Very high | 95 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 163.4 | 169.2 | 66.7 | -177.2 | -174.9 | 169.5 | 7.3 | 110.2 | M717 Y724 K726 F728 I768 E769 | M717-R791 VanDerWaalsContact CE-C 3.48Å; Y724-R791 PolarHBondContact O-NH1 3.41Å; K726-R791 WeakPolarHBondContact O-CD 3.22Å; K726-R791 PolarHBondContact O-NH1 2.9Å; F728-R791 HydrophobicContact CD1-CG 4.04Å; F728-R791 HydrophobicContact CE1-CG 3.9Å; F728-R791 HydrophobicContact CG-CG 4.45Å; F728-R791 HydrophobicContact CZ-CG 4.18Å; I768-R791 WeakPolarHBondContact CA-O 3.47Å; E769-R791 HydrophobicContact CB-CG 4.04Å; E769-R791 PolarHBondContact N-O 2.97Å; E769-R791 PolarHBondContact O-N 3.1Å; E769-R791 IonicContact OE2-CZ 3.07Å; E769-R791 IonicContact OE2-NE 3.05Å; E769-R791 PolarHBondContact OE2-NE 3.3Å; E769-R791 IonicContact OE2-NH2 2.77Å; E769-R791 PolarHBondContact OE2-NH2 2.85Å |
| 792 | L | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 137.2 | 172 | -65.6 | 174.5 | 0 | 0 | 0 | 110.3 | L714 M717 N718 N722 T723 Y724 L800 | L714-L792 HydrophobicContact CB-CD2 4.34Å; L714-L792 HydrophobicContact CD2-CD2 3.46Å; L714-L792 VanDerWaalsContact CD2-CD2 3.46Å; L714-L792 HydrophobicContact CG-CD2 4.48Å; M717-L792 HydrophobicContact CB-CD1 4.1Å; M717-L792 HydrophobicContact CB-CD2 3.94Å; M717-L792 HydrophobicContact CB-CG 3.86Å; M717-L792 HydrophobicContact CE-CD2 4.3Å; M717-L792 HydrophobicContact CE-CG 4.33Å; M717-L792 HydrophobicContact SD-CD2 4.16Å; N718-L792 HydrophobicContact CB-CD1 3.89Å; N722-L792 PolarHBondContact O-N 3.26Å; T723-L792 HydrophobicContact CG2-CD1 4.3Å; Y724-L792 VanDerWaalsContact CA-O 3.23Å; Y724-L792 WeakPolarHBondContact CA-O 3.32Å; Y724-L792 VanDerWaalsContact CB-O 3.26Å; Y724-L792 WeakPolarHBondContact CB-O 3.45Å; Y724-L792 PolarHBondContact N-O 3.22Å; L792-L800 HydrophobicContact CD1-CD1 3.64Å |
| 793 | S | 97 | Very high | 95.1 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | trans | -61.9 | 162.7 | 166.6 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | V766 L767 L795 S796 G797 | V766-S793 VanDerWaalsContact O-CB 3.23Å; V766-S793 WeakPolarHBondContact O-CB 3.43Å; V766-S793 PolarHBondContact O-OG 2.85Å; V766-S793 VanDerWaalsContact O-OG 3.06Å; L767-S793 WeakPolarHBondContact CA-OG 3.5Å; L767-S793 PolarHBondContact O-N 3.39Å; L767-S793 PolarHBondContact O-OG 3.02Å; S793-L795 VanDerWaalsContact C-N 3.33Å; S793-L795 PolarHBondContact O-N 3.07Å; S793-S796 PolarHBondContact N-OG 3.34Å; S793-S796 VanDerWaalsContact N-OG 3.11Å; S793-S796 PolarHBondContact O-N 3.35Å; S793-S796 PolarHBondContact O-OG 3.28Å; S793-S796 WeakPolarHBondContact OG-CB 3.5Å; S793-S796 PolarHBondContact OG-N 2.96Å; S793-S796 PolarHBondContact OG-OG 3.06Å; S793-G797 PolarHBondContact O-N 3.36Å | ||
| 794 | Q | 96.3 | Very high | 95 | Very high | 84 Ų | 84 | 44 Ų | 44 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.4 | -163 | -176.8 | 5.9 | 0 | 0 | 112.4 | Y724 G797 Y1143 | Y724-Q794 HydrophobicContact CD1-CB 4.22Å; Y724-Q794 HydrophobicContact CD1-CG 3.93Å; Y724-Q794 HydrophobicContact CD2-CB 3.92Å; Y724-Q794 HydrophobicContact CD2-CG 3.72Å; Y724-Q794 HydrophobicContact CE1-CG 3.89Å; Y724-Q794 HydrophobicContact CE2-CB 4.4Å; Y724-Q794 HydrophobicContact CE2-CG 3.69Å; Y724-Q794 HydrophobicContact CG-CB 3.83Å; Y724-Q794 HydrophobicContact CG-CG 3.85Å; Q794-G797 PolarHBondContact O-N 2.92Å; Q794-Y1143 HydrophobicContact CB-CE1 4.15Å; Q794-Y1143 HydrophobicContact CG-CE1 4.09Å; Q794-Y1143 WeakPolarHBondContact CG-OH 3.29Å |
| 795 | L | 94.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -35.1 | -179.3 | -176.4 | 70.1 | 0 | 0 | 0 | 112.4 | Q765 S793 G797 E798 Y828 I1139 Y1143 | Q765-L795 HydrophobicContact CB-CD2 3.46Å; Q765-L795 VanDerWaalsContact CB-CD2 3.46Å; Q765-L795 HydrophobicContact CG-CD2 3.73Å; S793-L795 VanDerWaalsContact C-N 3.33Å; S793-L795 PolarHBondContact O-N 3.07Å; L795-G797 PolarHBondContact O-N 3.36Å; L795-E798 WeakPolarHBondContact O-CB 3.43Å; L795-E798 PolarHBondContact O-N 2.97Å; L795-E798 VanDerWaalsContact O-N 3.09Å; L795-Y828 HydrophobicContact CD1-CD1 4.07Å; L795-Y828 HydrophobicContact CD1-CE1 3.64Å; L795-Y828 HydrophobicContact CD2-CE1 4.14Å; L795-Y828 HydrophobicContact CD2-CE2 4.26Å; L795-Y828 WeakPolarHBondContact CD2-OH 3.45Å; L795-Y828 HydrophobicContact CG-CE1 3.62Å; L795-I1139 HydrophobicContact CD1-CG2 4.15Å; L795-Y1143 HydrophobicContact CB-CD1 4.28Å; L795-Y1143 HydrophobicContact CB-CE1 4.33Å; L795-Y1143 HydrophobicContact CD1-CD1 4.18Å; L795-Y1143 HydrophobicContact CD1-CD2 3.58Å; L795-Y1143 HydrophobicContact CD1-CE2 4Å; L795-Y1143 HydrophobicContact CD1-CG 3.69Å |
| 796 | S | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -28.2 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | L767 S793 E798 M799 L800 | L767-S796 VanDerWaalsContact O-CB 3.25Å; L767-S796 WeakPolarHBondContact O-CB 3.19Å; L767-S796 PolarHBondContact O-OG 3.47Å; S793-S796 PolarHBondContact N-OG 3.34Å; S793-S796 VanDerWaalsContact N-OG 3.11Å; S793-S796 PolarHBondContact O-N 3.35Å; S793-S796 PolarHBondContact O-OG 3.28Å; S793-S796 WeakPolarHBondContact OG-CB 3.5Å; S793-S796 PolarHBondContact OG-N 2.96Å; S793-S796 PolarHBondContact OG-OG 3.06Å; S796-E798 PolarHBondContact O-N 2.83Å; S796-M799 WeakPolarHBondContact O-CB 3.25Å; S796-M799 PolarHBondContact O-N 3.47Å; S796-L800 PolarHBondContact O-N 3.04Å |
| 797 | G | 95.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -36 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S793 Q794 L795 M799 L800 K801 | S793-G797 PolarHBondContact O-N 3.36Å; Q794-G797 PolarHBondContact O-N 2.92Å; L795-G797 PolarHBondContact O-N 3.36Å; G797-M799 VanDerWaalsContact C-N 3.3Å; G797-M799 PolarHBondContact O-N 3.05Å; G797-L800 PolarHBondContact O-N 3.07Å; G797-K801 PolarHBondContact O-N 2.99Å; G797-K801 VanDerWaalsContact O-N 3.1Å |
| 798 | E | 95.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 32 Ų | 32 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.5 | -26 | 175.8 | -62.7 | -72.3 | 174.1 | 0 | 0 | 112.4 | L795 S796 L800 K801 A827 I1139 Y1143 | L795-E798 WeakPolarHBondContact O-CB 3.43Å; L795-E798 PolarHBondContact O-N 2.97Å; L795-E798 VanDerWaalsContact O-N 3.09Å; S796-E798 PolarHBondContact O-N 2.83Å; E798-L800 VanDerWaalsContact C-N 3.31Å; E798-K801 IonicContact OE2-NZ 3.82Å; E798-A827 HydrophobicContact CB-CB 4.28Å; E798-A827 WeakPolarHBondContact O-CB 3.4Å; E798-I1139 HydrophobicContact CB-CD1 3.73Å; E798-I1139 HydrophobicContact CG-CD1 3.49Å; E798-I1139 VanDerWaalsContact CG-CD1 3.49Å; E798-Y1143 HydrophobicContact CG-CE2 4.02Å |
| 799 | M | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.2 | -28.9 | 173.7 | -62.3 | -175.8 | 68.3 | 0 | 0 | 113 | D704 L706 L714 L767 S796 G797 L824 P825 A826 Y828 N830 | D704-M799 WeakPolarHBondContact O-CE 3.13Å; L706-M799 HydrophobicContact CD1-CE 3.7Å; L706-M799 HydrophobicContact CD2-CE 4.27Å; L706-M799 HydrophobicContact CG-CE 3.95Å; L714-M799 HydrophobicContact CD1-SD 4.41Å; L767-M799 HydrophobicContact CD1-SD 4.43Å; L767-M799 HydrophobicContact CD2-SD 3.86Å; S796-M799 WeakPolarHBondContact O-CB 3.25Å; S796-M799 PolarHBondContact O-N 3.47Å; G797-M799 VanDerWaalsContact C-N 3.3Å; G797-M799 PolarHBondContact O-N 3.05Å; M799-L824 HydrophobicContact CB-CD1 4.39Å; M799-P825 WeakPolarHBondContact O-CD 3.41Å; M799-A826 PolarHBondContact O-N 3.22Å; M799-Y828 HydrophobicContact CG-CD1 4.36Å; M799-Y828 HydrophobicContact CG-CE1 3.48Å; M799-Y828 VanDerWaalsContact CG-CE1 3.48Å; M799-Y828 HydrophobicContact SD-CE1 4.28Å; M799-Y828 PolarHBondContact SD-OH 2.86Å; M799-Y828 VanDerWaalsContact SD-OH 3.37Å; M799-N830 HydrophobicContact CE-CB 3.56Å; M799-N830 HydrophobicContact SD-CB 4.08Å |
| 800 | L | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -96.1 | -8.3 | -175.8 | -72.3 | 152.7 | 0 | 0 | 0 | 113 | L714 N718 L792 S796 G797 E798 D802 I803 L824 | L714-L800 HydrophobicContact CB-CD1 4.17Å; N718-L800 HydrophobicContact CB-CD1 3.72Å; N718-L800 HydrophobicContact CB-CD2 4.08Å; N718-L800 HydrophobicContact CB-CG 4.36Å; L792-L800 HydrophobicContact CD1-CD1 3.64Å; S796-L800 PolarHBondContact O-N 3.04Å; G797-L800 PolarHBondContact O-N 3.07Å; E798-L800 VanDerWaalsContact C-N 3.31Å; L800-D802 PolarHBondContact O-N 3.16Å; L800-I803 HydrophobicContact CD2-CD1 4.16Å; L800-I803 VanDerWaalsContact O-CB 3.26Å; L800-I803 WeakPolarHBondContact O-CB 3.32Å; L800-I803 WeakPolarHBondContact O-CG2 3.47Å; L800-I803 PolarHBondContact O-N 2.86Å; L800-L824 HydrophobicContact CD2-CD1 4.02Å; L800-L824 HydrophobicContact CD2-CD2 3.93Å; L800-L824 HydrophobicContact CG-CD1 4.27Å |
| 801 | K | 94 | Very high | 94.3 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 45% | 0.452 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 136.9 | -179.1 | -171.6 | 177.5 | -179.2 | 178.3 | 0 | 110.8 | G797 E798 I803 P825 | G797-K801 PolarHBondContact O-N 2.99Å; G797-K801 VanDerWaalsContact O-N 3.1Å; E798-K801 IonicContact OE2-NZ 3.82Å; K801-I803 VanDerWaalsContact C-N 3.26Å; K801-I803 PolarHBondContact O-N 2.67Å; K801-P825 VanDerWaalsContact O-CB 3.27Å; K801-P825 WeakPolarHBondContact O-CB 3.38Å; K801-P825 WeakPolarHBondContact O-CG 3.5Å |
| 802 | D | 93.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 6.1 | -179.9 | -51.7 | -47.2 | 0 | 0 | 0 | 115.5 | L800 E804 K805 T807 R1029 | L800-D802 PolarHBondContact O-N 3.16Å; D802-E804 PolarHBondContact O-N 3.38Å; D802-E804 VanDerWaalsContact O-N 3.13Å; D802-K805 HydrophobicContact CB-CD 4Å; D802-K805 WeakPolarHBondContact O-CB 3.28Å; D802-K805 PolarHBondContact O-N 3.12Å; D802-K805 WeakPolarHBondContact OD1-CE 3.41Å; D802-K805 IonicContact OD1-NZ 2.93Å; D802-K805 PolarHBondContact OD1-NZ 2.91Å; D802-T807 HydrophobicContact CB-CG2 4.05Å; D802-T807 VanDerWaalsContact O-CG2 3.25Å; D802-T807 WeakPolarHBondContact O-CG2 3.41Å; D802-T807 PolarHBondContact O-OG1 3.24Å; D802-R1029 HydrophobicContact CB-CG 4.39Å; D802-R1029 WeakPolarHBondContact OD2-CD 3.35Å; D802-R1029 IonicContact OD2-CZ 2.77Å; D802-R1029 IonicContact OD2-NE 3.14Å; D802-R1029 IonicContact OD2-NH1 3.92Å; D802-R1029 PolarHBondContact OD2-NH1 2.88Å |
| 803 | I | 94.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.7 | -178.6 | -164.9 | 158.9 | 0 | 0 | 0 | 113.7 | Y715 L800 K801 K805 V808 P821 L824 P825 | Y715-I803 HydrophobicContact CD2-CD1 3.63Å; Y715-I803 HydrophobicContact CE2-CD1 4.03Å; L800-I803 HydrophobicContact CD2-CD1 4.16Å; L800-I803 VanDerWaalsContact O-CB 3.26Å; L800-I803 WeakPolarHBondContact O-CB 3.32Å; L800-I803 WeakPolarHBondContact O-CG2 3.47Å; L800-I803 PolarHBondContact O-N 2.86Å; K801-I803 VanDerWaalsContact C-N 3.26Å; K801-I803 PolarHBondContact O-N 2.67Å; I803-K805 VanDerWaalsContact C-N 3.26Å; I803-K805 PolarHBondContact O-N 2.67Å; I803-V808 HydrophobicContact CG1-CG2 4.18Å; I803-P821 HydrophobicContact CD1-CB 4.29Å; I803-P821 HydrophobicContact CD1-CG 4.17Å; I803-L824 HydrophobicContact CD1-CD2 3.9Å; I803-P825 HydrophobicContact CB-CG 4.05Å; I803-P825 HydrophobicContact CG1-CG 4.46Å |
| 804 | E | 92.2 | Very high | 91.4 | Very high | 116 Ų | 116 | 46.9 Ų | 46.9 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2 | 176.3 | 69.9 | -72.3 | 165.8 | 0 | 0 | 114.7 | D802 | D802-E804 PolarHBondContact O-N 3.38Å; D802-E804 VanDerWaalsContact O-N 3.13Å |
| 805 | K | 94 | Very high | 90.1 | Very high | 37 Ų | 37 | 46 Ų | 46 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 31.4 | -175.5 | -55.8 | 177.9 | -175.6 | 171.9 | 0 | 112.6 | D802 I803 T807 R1029 Y1032 E1033 | D802-K805 HydrophobicContact CB-CD 4Å; D802-K805 WeakPolarHBondContact O-CB 3.28Å; D802-K805 PolarHBondContact O-N 3.12Å; D802-K805 WeakPolarHBondContact OD1-CE 3.41Å; D802-K805 IonicContact OD1-NZ 2.93Å; D802-K805 PolarHBondContact OD1-NZ 2.91Å; I803-K805 VanDerWaalsContact C-N 3.26Å; I803-K805 PolarHBondContact O-N 2.67Å; K805-T807 HydrophobicContact CB-CG2 3.91Å; K805-T807 PolarHBondContact O-N 2.75Å; K805-T807 VanDerWaalsContact O-N 3.1Å; K805-R1029 HydrophobicContact CD-CG 3.87Å; K805-Y1032 HydrophobicContact CB-CD1 3.64Å; K805-Y1032 HydrophobicContact CB-CD2 4.35Å; K805-Y1032 HydrophobicContact CB-CE1 4.05Å; K805-Y1032 HydrophobicContact CB-CG 3.82Å; K805-Y1032 HydrophobicContact CD-CD1 4.39Å; K805-Y1032 HydrophobicContact CG-CD1 3.86Å; K805-Y1032 HydrophobicContact CG-CE1 3.94Å; K805-Y1032 WeakPolarHBondContact O-CB 3.43Å; K805-E1033 HydrophobicContact CD-CG 4.39Å; K805-E1033 IonicContact NZ-OE1 3.74Å; K805-E1033 PolarHBondContact NZ-OE1 3Å |
| 806 | D | 92.5 | Very high | 89.2 | Confident | 109 Ų | 109 | 50.3 Ų | 50.3 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 33.9 | -178.8 | -59.7 | -39 | 0 | 0 | 0 | 113.6 | V808 Y1032 | D806-V808 VanDerWaalsContact C-N 3.35Å; D806-Y1032 HydrophobicContact CB-CD2 4.35Å |
| 807 | T | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -82 | -15.6 | -172.4 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | D802 K805 V1025 K1028 R1029 | D802-T807 HydrophobicContact CB-CG2 4.05Å; D802-T807 VanDerWaalsContact O-CG2 3.25Å; D802-T807 WeakPolarHBondContact O-CG2 3.41Å; D802-T807 PolarHBondContact O-OG1 3.24Å; K805-T807 HydrophobicContact CB-CG2 3.91Å; K805-T807 PolarHBondContact O-N 2.75Å; K805-T807 VanDerWaalsContact O-N 3.1Å; T807-V1025 HydrophobicContact CG2-CG1 4.19Å; T807-K1028 WeakPolarHBondContact O-CD 3.39Å; T807-R1029 HydrophobicContact CG2-CB 3.76Å | ||
| 808 | V | 94.8 | Very high | 88 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -138.4 | 153.1 | -178.7 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | I803 D806 P821 V823 P825 V1025 | I803-V808 HydrophobicContact CG1-CG2 4.18Å; D806-V808 VanDerWaalsContact C-N 3.35Å; V808-P821 HydrophobicContact CG2-CB 4.15Å; V808-V823 WeakPolarHBondContact CB-O 3Å; V808-V823 HydrophobicContact CG1-CG2 4.28Å; V808-V823 WeakPolarHBondContact CG1-O 3.45Å; V808-V823 WeakPolarHBondContact CG2-O 3.47Å; V808-P825 HydrophobicContact CG1-CG 4.28Å; V808-V1025 HydrophobicContact CG1-CG2 4.23Å |
| 809 | D | 91.4 | Very high | 87.8 | Confident | 98 Ų | 98 | 58.6 Ų | 58.6 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | trans | -75.9 | 131.2 | -177.2 | -56.5 | -27.6 | 0 | 0 | 0 | 110.3 | T822 K1028 | D809-T822 PolarHBondContact O-N 3.05Å; D809-T822 PolarHBondContact O-OG1 3.03Å; D809-K1028 IonicContact OD1-NZ 2.79Å; D809-K1028 PolarHBondContact OD1-NZ 3.47Å | ||
| 810 | L | 91.9 | Very high | 87.6 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.2 | 176.6 | -59 | 180 | 0 | 0 | 0 | 110.1 | K819 E820 P821 | L810-K819 HydrophobicContact CB-CB 4.12Å; L810-K819 HydrophobicContact CB-CD 4.24Å; L810-K819 HydrophobicContact CD1-CB 4.34Å; L810-E820 CarbonylContact C-O 3.52Å; L810-E820 VanDerWaalsContact CA-O 3.29Å; L810-E820 WeakPolarHBondContact CA-O 3.42Å; L810-P821 HydrophobicContact CD2-CB 3.87Å |
| 811 | V | 86 | Confident | 87.5 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 158.8 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 110.1 | K819 E820 T822 | V811-K819 CarbonylContact O-C 3.54Å; V811-K819 VanDerWaalsContact O-CA 3.28Å; V811-K819 WeakPolarHBondContact O-CA 3.29Å; V811-E820 HydrophobicContact CG2-CG 4.1Å; V811-E820 PolarHBondContact N-O 3.39Å; V811-E820 PolarHBondContact O-N 3.05Å; V811-T822 HydrophobicContact CB-CG2 4.48Å; V811-T822 HydrophobicContact CG1-CG2 3.64Å; V811-T822 HydrophobicContact CG2-CG2 4.09Å |
| 812 | W | 82.6 | Confident | 87.3 | Confident | 142 Ų | 142 | 56 Ų | 56 | 54% | 0.538 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.9 | 169.8 | -71.1 | 108 | 0 | 0 | 0 | 109.7 | D816 K819 | W812-D816 WeakPolarHBondContact CB-OD1 3.28Å; W812-D816 WeakPolarHBondContact CZ3-O 3.39Å; W812-K819 HydrophobicContact CD2-CG 4.21Å; W812-K819 HydrophobicContact CE3-CG 4Å; W812-K819 HydrophobicContact CH2-CG 4.49Å; W812-K819 HydrophobicContact CZ3-CG 4.15Å |
| 813 | N | 79.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -69.9 | -178.3 | 173 | 70.1 | -19.4 | 0 | 0 | 0 | 110.9 | N741 Y742 D815 D816 T817 E818 E820 | N741-N813 WeakPolarHBondContact O-CB 3.12Å; N741-N813 PolarHBondContact O-ND2 2.88Å; Y742-N813 HydrophobicContact CD1-CB 4.5Å; N813-D815 PolarHBondContact ND2-OD1 3.2Å; N813-D815 PolarHBondContact O-N 3.01Å; N813-D815 VanDerWaalsContact O-N 3.09Å; N813-D815 PolarHBondContact OD1-OD1 2.82Å; N813-D816 PolarHBondContact O-N 2.96Å; N813-D816 WeakPolarHBondContact OD1-CA 3.33Å; N813-D816 PolarHBondContact OD1-N 2.77Å; N813-D816 VanDerWaalsContact OD1-N 3.1Å; N813-T817 PolarHBondContact OD1-N 2.79Å; N813-E818 WeakPolarHBondContact CB-O 3.48Å; N813-E818 PolarHBondContact N-O 2.81Å; N813-E818 PolarHBondContact ND2-N 2.77Å; N813-E818 PolarHBondContact OD1-N 2.98Å; N813-E818 VanDerWaalsContact OD1-N 3.11Å; N813-E818 PolarHBondContact OD1-O 2.95Å; N813-E820 HydrophobicContact CB-CG 4.49Å | ||
| 814 | F | 68.9 | Low | 87.5 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 25% | 0.254 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.3 | -173.3 | 73 | -90.6 | 0 | 0 | 0 | 115.3 | K576 G740 P744 | K576-F814 WeakPolarHBondContact CE-O 3.46Å; K576-F814 PolarHBondContact NZ-O 3.49Å; G740-F814 WeakPolarHBondContact O-CZ 3.23Å; P744-F814 HydrophobicContact CB-CD1 4.46Å; P744-F814 HydrophobicContact CB-CD2 4.25Å; P744-F814 HydrophobicContact CB-CE1 4.15Å; P744-F814 HydrophobicContact CB-CE2 3.96Å; P744-F814 HydrophobicContact CB-CG 4.5Å; P744-F814 HydrophobicContact CB-CZ 3.91Å; P744-F814 HydrophobicContact CG-CB 4.41Å; P744-F814 HydrophobicContact CG-CD1 3.88Å; P744-F814 HydrophobicContact CG-CD2 3.89Å; P744-F814 HydrophobicContact CG-CE1 4.07Å; P744-F814 HydrophobicContact CG-CE2 4.11Å; P744-F814 HydrophobicContact CG-CG 3.78Å; P744-F814 HydrophobicContact CG-CZ 4.19Å |
| 815 | D | 69 | Low | 87.8 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 11.1 | 179.3 | 70.8 | -2.3 | 0 | 0 | 0 | 113.4 | N813 T817 | N813-D815 PolarHBondContact ND2-OD1 3.2Å; N813-D815 PolarHBondContact O-N 3.01Å; N813-D815 VanDerWaalsContact O-N 3.09Å; N813-D815 PolarHBondContact OD1-OD1 2.82Å; D815-T817 HydrophobicContact CB-CG2 4.42Å; D815-T817 VanDerWaalsContact CG-OG1 3.26Å; D815-T817 PolarHBondContact O-N 2.93Å; D815-T817 VanDerWaalsContact O-N 3.15Å; D815-T817 WeakPolarHBondContact OD1-CB 3.38Å; D815-T817 WeakPolarHBondContact OD1-CG2 3.21Å; D815-T817 PolarHBondContact OD1-N 3.12Å; D815-T817 VanDerWaalsContact OD1-N 3.14Å; D815-T817 PolarHBondContact OD1-OG1 3.1Å; D815-T817 PolarHBondContact OD2-OG1 3.1Å |
| 816 | D | 75.3 | Confident | 87.9 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 54.9 | 25 | -178.9 | -57.9 | -46.3 | 0 | 0 | 0 | 114.4 | W812 N813 | W812-D816 WeakPolarHBondContact CB-OD1 3.28Å; W812-D816 WeakPolarHBondContact CZ3-O 3.39Å; N813-D816 PolarHBondContact O-N 2.96Å; N813-D816 WeakPolarHBondContact OD1-CA 3.33Å; N813-D816 PolarHBondContact OD1-N 2.77Å; N813-D816 VanDerWaalsContact OD1-N 3.1Å |
| 817 | T | 79.3 | Confident | 88 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 53% | 0.534 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -99.7 | -32.1 | 179.1 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | N813 D815 | N813-T817 PolarHBondContact OD1-N 2.79Å; D815-T817 HydrophobicContact CB-CG2 4.42Å; D815-T817 VanDerWaalsContact CG-OG1 3.26Å; D815-T817 PolarHBondContact O-N 2.93Å; D815-T817 VanDerWaalsContact O-N 3.15Å; D815-T817 WeakPolarHBondContact OD1-CB 3.38Å; D815-T817 WeakPolarHBondContact OD1-CG2 3.21Å; D815-T817 PolarHBondContact OD1-N 3.12Å; D815-T817 VanDerWaalsContact OD1-N 3.14Å; D815-T817 PolarHBondContact OD1-OG1 3.1Å; D815-T817 PolarHBondContact OD2-OG1 3.1Å |
| 818 | E | 86.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -129.7 | 157.4 | -179.6 | -63.9 | -150.2 | 140.5 | 0 | 0 | 111.9 | K719 Y742 N813 | K719-E818 IonicContact NZ-OE1 2.8Å; K719-E818 PolarHBondContact NZ-OE1 2.83Å; K719-E818 IonicContact NZ-OE2 3.7Å; K719-E818 PolarHBondContact NZ-OE2 3.42Å; Y742-E818 HydrophobicContact CE1-CB 4.33Å; Y742-E818 PolarHBondContact OH-OE2 2.86Å; N813-E818 WeakPolarHBondContact CB-O 3.48Å; N813-E818 PolarHBondContact N-O 2.81Å; N813-E818 PolarHBondContact ND2-N 2.77Å; N813-E818 PolarHBondContact OD1-N 2.98Å; N813-E818 VanDerWaalsContact OD1-N 3.11Å; N813-E818 PolarHBondContact OD1-O 2.95Å |
| 819 | K | 90.5 | Very high | 88.3 | Confident | 98 Ų | 98 | 42.6 Ų | 42.6 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.1 | 173.2 | -68.6 | -168.9 | 176.7 | -170.5 | 0 | 111.6 | Y715 L810 V811 W812 | Y715-K819 PolarHBondContact OH-O 2.89Å; Y715-K819 VanDerWaalsContact OH-O 3.08Å; L810-K819 HydrophobicContact CB-CB 4.12Å; L810-K819 HydrophobicContact CB-CD 4.24Å; L810-K819 HydrophobicContact CD1-CB 4.34Å; V811-K819 CarbonylContact O-C 3.54Å; V811-K819 VanDerWaalsContact O-CA 3.28Å; V811-K819 WeakPolarHBondContact O-CA 3.29Å; W812-K819 HydrophobicContact CD2-CG 4.21Å; W812-K819 HydrophobicContact CE3-CG 4Å; W812-K819 HydrophobicContact CH2-CG 4.49Å; W812-K819 HydrophobicContact CZ3-CG 4.15Å |
| 820 | E | 91.2 | Very high | 88.6 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151 | 176.8 | 66.3 | 170.5 | -154.2 | 0 | 0 | 112.3 | R712 Y715 Y742 L810 V811 N813 | R712-E820 WeakPolarHBondContact CD-OE2 3.23Å; R712-E820 WeakPolarHBondContact CG-OE2 3.5Å; R712-E820 IonicContact CZ-OE1 3.52Å; R712-E820 IonicContact CZ-OE2 3.07Å; R712-E820 VanDerWaalsContact NE-CD 3.31Å; R712-E820 IonicContact NE-OE1 3.16Å; R712-E820 PolarHBondContact NE-OE1 2.81Å; R712-E820 IonicContact NE-OE2 3.82Å; R712-E820 PolarHBondContact NE-OE2 3.08Å; R712-E820 IonicContact NH2-OE1 2.84Å; R712-E820 PolarHBondContact NH2-OE1 3.01Å; Y715-E820 HydrophobicContact CE1-CB 4.41Å; Y742-E820 HydrophobicContact CD1-CB 3.83Å; Y742-E820 WeakPolarHBondContact CD1-OE2 3.37Å; Y742-E820 HydrophobicContact CE1-CB 4.06Å; L810-E820 CarbonylContact C-O 3.52Å; L810-E820 VanDerWaalsContact CA-O 3.29Å; L810-E820 WeakPolarHBondContact CA-O 3.42Å; V811-E820 HydrophobicContact CG2-CG 4.1Å; V811-E820 PolarHBondContact N-O 3.39Å; V811-E820 PolarHBondContact O-N 3.05Å; N813-E820 HydrophobicContact CB-CG 4.49Å |
| 821 | P | 94 | Very high | 88.9 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 138.8 | -178.9 | 31.5 | -36.1 | 0 | 0 | 0 | 112.4 | R711 Y715 I803 V808 L810 L824 | R711-P821 WeakPolarHBondContact CD-O 3.45Å; R711-P821 HydrophobicContact CG-CG 4.46Å; Y715-P821 VanDerWaalsContact CD1-CD 3.47Å; Y715-P821 HydrophobicContact CD1-CG 4.18Å; Y715-P821 HydrophobicContact CD2-CG 3.83Å; Y715-P821 HydrophobicContact CE2-CG 4.3Å; Y715-P821 HydrophobicContact CG-CG 3.75Å; I803-P821 HydrophobicContact CD1-CB 4.29Å; I803-P821 HydrophobicContact CD1-CG 4.17Å; V808-P821 HydrophobicContact CG2-CB 4.15Å; L810-P821 HydrophobicContact CD2-CB 3.87Å; P821-L824 HydrophobicContact CG-CD2 4.05Å |
| 822 | T | 91.3 | Very high | 89.4 | Confident | 35 Ų | 35 | 32.4 Ų | 32.4 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -66.7 | -39.1 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | R711 D809 V811 | R711-T822 VanDerWaalsContact CD-O 3.26Å; R711-T822 WeakPolarHBondContact CD-O 3.46Å; R711-T822 PolarHBondContact NE-O 3.2Å; R711-T822 VanDerWaalsContact NE-O 3.11Å; R711-T822 PolarHBondContact NH1-O 3.33Å; R711-T822 VanDerWaalsContact NH1-O 3.13Å; D809-T822 PolarHBondContact O-N 3.05Å; D809-T822 PolarHBondContact O-OG1 3.03Å; V811-T822 HydrophobicContact CB-CG2 4.48Å; V811-T822 HydrophobicContact CG1-CG2 3.64Å; V811-T822 HydrophobicContact CG2-CG2 4.09Å |
| 823 | V | 95.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -145.6 | 158.8 | 175.3 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | D701 R703 D704 V808 | D701-V823 HydrophobicContact CB-CG1 4.03Å; D701-V823 VanDerWaalsContact CG-CG1 3.47Å; D701-V823 WeakPolarHBondContact OD2-CG1 3.37Å; R703-V823 HydrophobicContact CB-CG1 4.33Å; R703-V823 VanDerWaalsContact CZ-CG1 3.46Å; R703-V823 VanDerWaalsContact NH2-CG1 3.3Å; D704-V823 WeakPolarHBondContact OD2-CA 3.31Å; V808-V823 WeakPolarHBondContact CB-O 3Å; V808-V823 HydrophobicContact CG1-CG2 4.28Å; V808-V823 WeakPolarHBondContact CG1-O 3.45Å; V808-V823 WeakPolarHBondContact CG2-O 3.47Å |
| 824 | L | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -85.9 | 154.8 | 172.4 | -56.6 | -170.5 | 0 | 0 | 0 | 112.5 | D704 L706 R711 L714 M799 L800 I803 P821 A826 H1021 | D704-L824 HydrophobicContact CB-CB 4.12Å; D704-L824 PolarHBondContact OD2-N 2.89Å; L706-L824 HydrophobicContact CD1-CD1 3.47Å; L706-L824 VanDerWaalsContact CD1-CD1 3.47Å; L706-L824 HydrophobicContact CD1-CG 4.09Å; R711-L824 HydrophobicContact CG-CD2 3.83Å; R711-L824 HydrophobicContact CG-CG 3.97Å; L714-L824 HydrophobicContact CB-CD1 4.23Å; L714-L824 HydrophobicContact CD1-CD1 4.1Å; M799-L824 HydrophobicContact CB-CD1 4.39Å; L800-L824 HydrophobicContact CD2-CD1 4.02Å; L800-L824 HydrophobicContact CD2-CD2 3.93Å; L800-L824 HydrophobicContact CG-CD1 4.27Å; I803-L824 HydrophobicContact CD1-CD2 3.9Å; P821-L824 HydrophobicContact CG-CD2 4.05Å; L824-A826 PolarHBondContact O-N 2.87Å; L824-H1021 PolarHBondContact O-NE2 3.11Å | ||
| 825 | P | 97.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | trans | -52.4 | -34.1 | 172.7 | -31.5 | 37.9 | 0 | 0 | 0 | 115.3 | M799 K801 I803 V808 R1022 V1025 | M799-P825 WeakPolarHBondContact O-CD 3.41Å; K801-P825 VanDerWaalsContact O-CB 3.27Å; K801-P825 WeakPolarHBondContact O-CB 3.38Å; K801-P825 WeakPolarHBondContact O-CG 3.5Å; I803-P825 HydrophobicContact CB-CG 4.05Å; I803-P825 HydrophobicContact CG1-CG 4.46Å; V808-P825 HydrophobicContact CG1-CG 4.28Å; P825-R1022 VanDerWaalsContact O-CD 3.24Å; P825-R1022 WeakPolarHBondContact O-CD 3.28Å; P825-V1025 HydrophobicContact CB-CG1 3.78Å; P825-V1025 HydrophobicContact CG-CG1 4.46Å | ||
| 826 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | 51.2 | 76.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | D704 M799 L824 Y828 Y1018 R1022 | D704-A826 HydrophobicContact CB-CB 3.94Å; M799-A826 PolarHBondContact O-N 3.22Å; L824-A826 PolarHBondContact O-N 2.87Å; A826-Y828 PolarHBondContact O-N 2.98Å; A826-Y1018 HydrophobicContact CB-CE2 4.39Å; A826-Y1018 WeakPolarHBondContact O-CE2 3.07Å; A826-Y1018 PolarHBondContact O-OH 3.07Å; A826-R1022 WeakPolarHBondContact O-CD 3.28Å | ||
| 827 | A | 95.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 8% | 0.083 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -63.5 | -6.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | E798 Y1018 | E798-A827 HydrophobicContact CB-CB 4.28Å; E798-A827 WeakPolarHBondContact O-CB 3.4Å; A827-Y1018 PolarHBondContact O-OH 3.45Å |
| 828 | Y | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -145.8 | 161.6 | 171.7 | 64 | -85.1 | 0 | 0 | 0 | 111 | L767 L795 M799 A826 N830 V833 L852 Y1018 I1139 | L767-Y828 WeakPolarHBondContact CD2-OH 3.42Å; L795-Y828 HydrophobicContact CD1-CD1 4.07Å; L795-Y828 HydrophobicContact CD1-CE1 3.64Å; L795-Y828 HydrophobicContact CD2-CE1 4.14Å; L795-Y828 HydrophobicContact CD2-CE2 4.26Å; L795-Y828 WeakPolarHBondContact CD2-OH 3.45Å; L795-Y828 HydrophobicContact CG-CE1 3.62Å; M799-Y828 HydrophobicContact CG-CD1 4.36Å; M799-Y828 HydrophobicContact CG-CE1 3.48Å; M799-Y828 VanDerWaalsContact CG-CE1 3.48Å; M799-Y828 HydrophobicContact SD-CE1 4.28Å; M799-Y828 PolarHBondContact SD-OH 2.86Å; M799-Y828 VanDerWaalsContact SD-OH 3.37Å; A826-Y828 PolarHBondContact O-N 2.98Å; Y828-N830 VanDerWaalsContact C-N 3.28Å; Y828-N830 HydrophobicContact CD2-CB 4.18Å; Y828-N830 HydrophobicContact CE2-CB 3.66Å; Y828-N830 PolarHBondContact O-N 2.66Å; Y828-V833 HydrophobicContact CD2-CB 4.4Å; Y828-V833 HydrophobicContact CD2-CG2 3.98Å; Y828-V833 HydrophobicContact CE2-CB 4.27Å; Y828-V833 HydrophobicContact CE2-CG1 4.31Å; Y828-V833 HydrophobicContact CE2-CG2 4.35Å; Y828-L852 HydrophobicContact CD2-CD1 3.87Å; Y828-L852 HydrophobicContact CE2-CD1 4.5Å; Y828-L852 HydrophobicContact CG-CD1 4.18Å; Y828-Y1018 VanDerWaalsContact C-CE2 3.4Å; Y828-Y1018 VanDerWaalsContact C-CZ 3.45Å; Y828-Y1018 WeakPolarHBondContact CA-OH 3.47Å; Y828-Y1018 PolarHBondContact N-OH 2.81Å; Y828-Y1018 WeakPolarHBondContact O-CE2 3.37Å; Y828-I1139 HydrophobicContact CD1-CG2 4.43Å |
| 829 | P | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.013 | 10% | 0.104 | C | C | . | . | trans | -73.7 | 73 | -177.8 | -10.7 | 25.9 | 0 | 0 | 0 | 112.9 | L831 L832 V833 V855 T859 L1015 Y1018 | P829-L831 PolarHBondContact O-N 2.84Å; P829-L832 PolarHBondContact O-N 3.28Å; P829-V833 WeakPolarHBondContact O-CG2 3.28Å; P829-V833 PolarHBondContact O-N 3.27Å; P829-V855 HydrophobicContact CB-CG1 3.73Å; P829-V855 HydrophobicContact CG-CG1 3.58Å; P829-T859 HydrophobicContact CG-CG2 4.48Å; P829-T859 WeakPolarHBondContact CG-OG1 3.47Å; P829-L1015 HydrophobicContact CB-CD2 4.45Å; P829-L1015 HydrophobicContact CG-CD2 4.4Å; P829-Y1018 HydrophobicContact CB-CD1 4.12Å; P829-Y1018 HydrophobicContact CB-CD2 4.09Å; P829-Y1018 HydrophobicContact CB-CE1 4.37Å; P829-Y1018 HydrophobicContact CB-CE2 4.34Å; P829-Y1018 HydrophobicContact CB-CG 3.98Å; P829-Y1018 HydrophobicContact CG-CD1 3.65Å; P829-Y1018 HydrophobicContact CG-CD2 4.34Å; P829-Y1018 HydrophobicContact CG-CE1 3.6Å; P829-Y1018 HydrophobicContact CG-CE2 4.3Å; P829-Y1018 HydrophobicContact CG-CG 4.04Å | ||
| 830 | N | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.9 | -30.7 | -174.2 | 170.8 | 70.8 | 0 | 0 | 0 | 113.6 | D704 L706 M799 Y828 L832 V833 N834 | D704-N830 WeakPolarHBondContact O-CB 3.22Å; D704-N830 PolarHBondContact O-ND2 2.86Å; D704-N830 VanDerWaalsContact O-ND2 3.08Å; L706-N830 WeakPolarHBondContact CD2-ND2 3.46Å; M799-N830 HydrophobicContact CE-CB 3.56Å; M799-N830 HydrophobicContact SD-CB 4.08Å; Y828-N830 VanDerWaalsContact C-N 3.28Å; Y828-N830 HydrophobicContact CD2-CB 4.18Å; Y828-N830 HydrophobicContact CE2-CB 3.66Å; Y828-N830 PolarHBondContact O-N 2.66Å; N830-L832 VanDerWaalsContact C-N 3.26Å; N830-L832 PolarHBondContact O-N 3.42Å; N830-V833 PolarHBondContact O-N 3.24Å; N830-N834 PolarHBondContact O-N 2.75Å; N830-N834 PolarHBondContact OD1-ND2 3.38Å |
| 831 | L | 97.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54.7 | -42.3 | 177.1 | -175.9 | 55.9 | 0 | 0 | 0 | 112.4 | P700 I702 P829 G835 I847 A1000 I1014 | P700-L831 HydrophobicContact CB-CD1 3.94Å; P700-L831 HydrophobicContact CG-CD1 3.77Å; I702-L831 HydrophobicContact CG1-CD2 3.99Å; P829-L831 PolarHBondContact O-N 2.84Å; L831-G835 WeakPolarHBondContact O-CA 3.43Å; L831-G835 PolarHBondContact O-N 2.81Å; L831-G835 VanDerWaalsContact O-N 3.11Å; L831-I847 HydrophobicContact CD1-CD1 3.63Å; L831-I847 HydrophobicContact CD1-CG2 4.49Å; L831-I847 HydrophobicContact CD2-CD1 4.15Å; L831-I847 HydrophobicContact CG-CD1 4.09Å; L831-I847 HydrophobicContact CG-CG2 4.48Å; L831-A1000 HydrophobicContact CD2-CB 4.03Å; L831-I1014 HydrophobicContact CD2-CD1 4.4Å; L831-I1014 HydrophobicContact CD2-CG1 4.3Å; L831-I1014 HydrophobicContact CD2-CG2 4Å |
| 832 | L | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -81.7 | -41.7 | 178.2 | -67.6 | 172.6 | 0 | 0 | 0 | 111.3 | P829 N830 T849 H850 V855 L1011 I1014 L1015 | P829-L832 PolarHBondContact O-N 3.28Å; N830-L832 VanDerWaalsContact C-N 3.26Å; N830-L832 PolarHBondContact O-N 3.42Å; L832-T849 CarbonylContact O-C 3.56Å; L832-H850 HydrophobicContact CB-CB 4.46Å; L832-H850 WeakPolarHBondContact O-CB 3.47Å; L832-H850 PolarHBondContact O-N 3.17Å; L832-H850 PolarHBondContact O-ND1 2.95Å; L832-V855 HydrophobicContact CB-CG1 4.25Å; L832-V855 HydrophobicContact CB-CG2 3.96Å; L832-V855 HydrophobicContact CD1-CG1 4.27Å; L832-L1011 HydrophobicContact CD1-CD1 3.58Å; L832-L1011 HydrophobicContact CD2-CD1 3.96Å; L832-L1011 HydrophobicContact CG-CD1 4.44Å; L832-I1014 HydrophobicContact CD1-CG2 3.96Å; L832-I1014 HydrophobicContact CD2-CD1 3.89Å; L832-I1014 HydrophobicContact CD2-CG2 4.18Å; L832-I1014 HydrophobicContact CG-CG2 3.81Å; L832-L1015 HydrophobicContact CD1-CD2 3.54Å; L832-L1015 HydrophobicContact CD1-CG 4.09Å |
| 833 | V | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | -176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R764 Q765 Y828 P829 N830 H850 L852 V855 | R764-V833 VanDerWaalsContact CB-O 3.31Å; R764-V833 WeakPolarHBondContact CB-O 3.27Å; Q765-V833 HydrophobicContact CB-CG1 4.22Å; Q765-V833 HydrophobicContact CG-CG1 3.66Å; Y828-V833 HydrophobicContact CD2-CB 4.4Å; Y828-V833 HydrophobicContact CD2-CG2 3.98Å; Y828-V833 HydrophobicContact CE2-CB 4.27Å; Y828-V833 HydrophobicContact CE2-CG1 4.31Å; Y828-V833 HydrophobicContact CE2-CG2 4.35Å; P829-V833 WeakPolarHBondContact O-CG2 3.28Å; P829-V833 PolarHBondContact O-N 3.27Å; N830-V833 PolarHBondContact O-N 3.24Å; V833-H850 PolarHBondContact O-N 3Å; V833-L852 HydrophobicContact CG1-CB 4.29Å; V833-L852 HydrophobicContact CG1-CD1 4.3Å; V833-L852 HydrophobicContact CG2-CB 4.46Å; V833-L852 HydrophobicContact CG2-CD1 3.75Å; V833-V855 HydrophobicContact CG2-CB 4.28Å; V833-V855 HydrophobicContact CG2-CG1 4.19Å; V833-V855 HydrophobicContact CG2-CG2 4.41Å |
| 834 | N | 97.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 14.7 Ų | 14.7 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -100.7 | -6.8 | -176 | -81.1 | -37.1 | 0 | 0 | 0 | 114.3 | L763 R764 Q765 N830 T849 | L763-N834 HydrophobicContact CD2-CB 4.43Å; L763-N834 HydrophobicContact CG-CB 4.3Å; R764-N834 PolarHBondContact N-OD1 2.89Å; Q765-N834 PolarHBondContact N-OD1 3.02Å; Q765-N834 PolarHBondContact O-ND2 2.92Å; Q765-N834 PolarHBondContact O-OD1 2.83Å; Q765-N834 VanDerWaalsContact O-OD1 3.04Å; N830-N834 PolarHBondContact O-N 2.75Å; N830-N834 PolarHBondContact OD1-ND2 3.38Å; N834-T849 VanDerWaalsContact O-CG2 3.25Å; N834-T849 WeakPolarHBondContact O-CG2 3.38Å |
| 835 | G | 95.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 14.9 Ų | 14.9 | 12% | 0.124 | 9% | 0.094 | C | C | . | . | trans | 63.7 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L831 I847 | L831-G835 WeakPolarHBondContact O-CA 3.43Å; L831-G835 PolarHBondContact O-N 2.81Å; L831-G835 VanDerWaalsContact O-N 3.11Å; G835-I847 CarbonylContact C-O 3.47Å; G835-I847 WeakPolarHBondContact CA-O 3.28Å | ||
| 836 | S | 95 | Very high | 92 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 141.4 | 172.6 | -167 | 0 | 0 | 0 | 0 | 110.2 | I847 | S836-I847 PolarHBondContact N-O 3.43Å; S836-I847 PolarHBondContact O-N 3.46Å |
| 837 | T | 92.7 | Very high | 92.1 | Very high | 33 Ų | 33 | 17.3 Ų | 17.3 | 20% | 0.202 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.3 | 178 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | K707 R756 T845 E846 | K707-T837 WeakPolarHBondContact CE-O 3.35Å; K707-T837 PolarHBondContact NZ-O 2.84Å; R756-T837 PolarHBondContact NH2-OG1 2.81Å; T837-T845 CarbonylContact C-O 3.48Å; T837-T845 VanDerWaalsContact CA-O 3.27Å; T837-T845 WeakPolarHBondContact CA-O 3.45Å; T837-E846 VanDerWaalsContact CG2-CD 3.44Å; T837-E846 WeakPolarHBondContact CG2-OE1 3.4Å; T837-E846 VanDerWaalsContact CG2-OE2 3.23Å; T837-E846 WeakPolarHBondContact CG2-OE2 3.44Å |
| 838 | G | 86.9 | Confident | 92.1 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 147.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A844 T845 | G838-A844 CarbonylContact O-C 3.57Å; G838-A844 VanDerWaalsContact O-CA 3.26Å; G838-A844 WeakPolarHBondContact O-CA 3.42Å; G838-T845 PolarHBondContact N-O 2.92Å; G838-T845 PolarHBondContact O-N 2.95Å |
| 839 | I | 83.7 | Confident | 92.1 | Very high | 147 Ų | 147 | 16.9 Ų | 16.9 | 75% | 0.754 | 10% | 0.102 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.1 | 177.5 | -55.9 | 174.6 | 0 | 0 | 0 | 108 | A698 | A698-I839 WeakPolarHBondContact CB-O 3.03Å |
| 840 | S | 81.3 | Confident | 92.2 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 11% | 0.105 | 10% | 0.101 | C | C | . | . | trans | -130.9 | 178.9 | -177.7 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | I693 I694 G842 Y843 | I693-S840 WeakPolarHBondContact CG2-OG 3.22Å; I694-S840 WeakPolarHBondContact CG1-OG 3.44Å; S840-G842 PolarHBondContact O-N 2.94Å; S840-G842 VanDerWaalsContact O-N 3.14Å; S840-Y843 CarbonylContact C-O 3.59Å; S840-Y843 WeakPolarHBondContact CA-O 3.43Å; S840-Y843 WeakPolarHBondContact CB-O 3.47Å; S840-Y843 PolarHBondContact N-O 2.78Å | ||
| 841 | A | 76.6 | Confident | 92.2 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 5% | 0.05 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -66.2 | 107.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I628 F686 Y689 S690 Y843 | I628-A841 HydrophobicContact CD1-CB 4.27Å; I628-A841 WeakPolarHBondContact CD1-O 3.25Å; F686-A841 HydrophobicContact CZ-CB 4.12Å; Y689-A841 HydrophobicContact CE1-CB 4.48Å; S690-A841 WeakPolarHBondContact OG-CB 3.43Å; A841-Y843 WeakPolarHBondContact O-CD2 3.39Å; A841-Y843 PolarHBondContact O-N 2.85Å |
| 842 | G | 81 | Confident | 92.2 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 81.3 | -11.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V621 S840 | V621-G842 WeakPolarHBondContact CG1-O 3.32Å; S840-G842 PolarHBondContact O-N 2.94Å; S840-G842 VanDerWaalsContact O-N 3.14Å |
| 843 | Y | 86.9 | Confident | 92.2 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | trans | -126.7 | 146.3 | -179.9 | -63.5 | -91.7 | 0 | 0 | 0 | 111.2 | R625 I628 E629 I694 S840 A841 V999 P1006 | R625-Y843 HydrophobicContact CG-CE1 4.03Å; R625-Y843 HydrophobicContact CG-CE2 4.27Å; I628-Y843 HydrophobicContact CG2-CE2 4.31Å; E629-Y843 WeakPolarHBondContact CG-OH 3.43Å; E629-Y843 PolarHBondContact OE1-OH 3.19Å; I694-Y843 HydrophobicContact CD1-CD2 3.64Å; I694-Y843 HydrophobicContact CD1-CE2 3.74Å; I694-Y843 HydrophobicContact CG1-CD2 4.1Å; S840-Y843 CarbonylContact C-O 3.59Å; S840-Y843 WeakPolarHBondContact CA-O 3.43Å; S840-Y843 WeakPolarHBondContact CB-O 3.47Å; S840-Y843 PolarHBondContact N-O 2.78Å; A841-Y843 WeakPolarHBondContact O-CD2 3.39Å; A841-Y843 PolarHBondContact O-N 2.85Å; Y843-V999 HydrophobicContact CD1-CG1 4.08Å; Y843-P1006 HydrophobicContact CD1-CB 4Å; Y843-P1006 HydrophobicContact CD1-CG 4.35Å; Y843-P1006 HydrophobicContact CD2-CG 4.31Å; Y843-P1006 HydrophobicContact CE1-CB 3.83Å; Y843-P1006 HydrophobicContact CE1-CG 3.78Å; Y843-P1006 HydrophobicContact CE2-CB 4.39Å; Y843-P1006 HydrophobicContact CE2-CG 3.78Å; Y843-P1006 HydrophobicContact CG-CB 4.33Å; Y843-P1006 VanDerWaalsContact CZ-CG 3.48Å | ||
| 844 | A | 88.8 | Confident | 92.2 | Very high | 36 Ų | 36 | 19.4 Ų | 19.4 | 30% | 0.298 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | G838 N997 V999 | G838-A844 CarbonylContact O-C 3.57Å; G838-A844 VanDerWaalsContact O-CA 3.26Å; G838-A844 WeakPolarHBondContact O-CA 3.42Å; A844-N997 VanDerWaalsContact C-ND2 3.31Å; A844-N997 PolarHBondContact O-ND2 2.94Å; A844-V999 WeakPolarHBondContact O-CG2 3.3Å |
| 845 | T | 93.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136 | 172.8 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | L699 T837 G838 N997 V999 | L699-T845 HydrophobicContact CD2-CG2 3.72Å; T837-T845 CarbonylContact C-O 3.48Å; T837-T845 VanDerWaalsContact CA-O 3.27Å; T837-T845 WeakPolarHBondContact CA-O 3.45Å; G838-T845 PolarHBondContact N-O 2.92Å; G838-T845 PolarHBondContact O-N 2.95Å; T845-N997 CarbonylContact C-O 3.44Å; T845-N997 VanDerWaalsContact CA-O 3.27Å; T845-N997 WeakPolarHBondContact CA-O 3.5Å; T845-V999 WeakPolarHBondContact CB-O 3.29Å; T845-V999 PolarHBondContact OG1-N 3.36Å; T845-V999 PolarHBondContact OG1-O 2.95Å |
| 846 | E | 95.2 | Very high | 92.3 | Very high | 52 Ų | 52 | 18.4 Ų | 18.4 | 24% | 0.243 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 85.5 | 175.5 | -172.5 | 64.8 | -137.5 | 0 | 0 | 106.6 | T837 Y994 N995 N997 | T837-E846 VanDerWaalsContact CG2-CD 3.44Å; T837-E846 WeakPolarHBondContact CG2-OE1 3.4Å; T837-E846 VanDerWaalsContact CG2-OE2 3.23Å; T837-E846 WeakPolarHBondContact CG2-OE2 3.44Å; E846-Y994 HydrophobicContact CG-CE1 4.36Å; E846-Y994 PolarHBondContact OE1-OH 3.38Å; E846-N995 VanDerWaalsContact CG-O 3.29Å; E846-N995 WeakPolarHBondContact CG-O 3.42Å; E846-N997 HydrophobicContact CB-CB 4.27Å; E846-N997 PolarHBondContact N-O 3.25Å; E846-N997 CarbonylContact O-C 3.46Å; E846-N997 PolarHBondContact O-N 3.36Å |
| 847 | I | 97.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.1 | 177.3 | -62.8 | 167.4 | 0 | 0 | 0 | 107 | P700 L831 G835 S836 M998 | P700-I847 HydrophobicContact CG-CD1 4.42Å; L831-I847 HydrophobicContact CD1-CD1 3.63Å; L831-I847 HydrophobicContact CD1-CG2 4.49Å; L831-I847 HydrophobicContact CD2-CD1 4.15Å; L831-I847 HydrophobicContact CG-CD1 4.09Å; L831-I847 HydrophobicContact CG-CG2 4.48Å; G835-I847 CarbonylContact C-O 3.47Å; G835-I847 WeakPolarHBondContact CA-O 3.28Å; S836-I847 PolarHBondContact N-O 3.43Å; S836-I847 PolarHBondContact O-N 3.46Å; I847-M998 HydrophobicContact CD1-CB 4.49Å; I847-M998 HydrophobicContact CG1-CB 3.87Å; I847-M998 HydrophobicContact CG1-CG 3.93Å |
| 848 | P | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 161.9 | -177.9 | 25.7 | -29.8 | 0 | 0 | 0 | 113.1 | H850 P880 F882 Y994 F996 | P848-H850 PolarHBondContact O-CE1 2.83Å; P848-H850 PolarHBondContact O-ND1 2.81Å; P848-P880 HydrophobicContact CB-CB 3.93Å; P848-P880 HydrophobicContact CB-CG 3.96Å; P848-P880 HydrophobicContact CG-CB 4.18Å; P848-P880 HydrophobicContact CG-CG 3.69Å; P848-F882 HydrophobicContact CB-CE1 3.84Å; P848-F882 HydrophobicContact CB-CZ 4.04Å; P848-Y994 HydrophobicContact CB-CE1 3.74Å; P848-Y994 HydrophobicContact CG-CE1 4.15Å; P848-F996 HydrophobicContact CG-CD1 3.68Å; P848-F996 HydrophobicContact CG-CE1 3.37Å; P848-F996 HydrophobicContact CG-CZ 4.09Å |
| 849 | T | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 149.9 | 171.9 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | R764 L832 N834 P880 D881 F882 | R764-T849 HydrophobicContact CB-CG2 4.36Å; L832-T849 CarbonylContact O-C 3.56Å; N834-T849 VanDerWaalsContact O-CG2 3.25Å; N834-T849 WeakPolarHBondContact O-CG2 3.38Å; T849-P880 CarbonylContact O-C 3.6Å; T849-P880 WeakPolarHBondContact O-CA 3.46Å; T849-D881 CarbonylContact C-O 3.54Å; T849-D881 WeakPolarHBondContact CB-O 3.22Å; T849-D881 PolarHBondContact O-N 3.05Å; T849-D881 PolarHBondContact OG1-O 3.48Å; T849-F882 WeakPolarHBondContact OG1-CA 3.4Å |
| 850 | H | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -135.8 | 159.4 | 178 | -61.5 | 76.1 | 0 | 0 | 0 | 110.5 | L832 V833 P848 L852 V855 G879 Y898 | L832-H850 HydrophobicContact CB-CB 4.46Å; L832-H850 WeakPolarHBondContact O-CB 3.47Å; L832-H850 PolarHBondContact O-N 3.17Å; L832-H850 PolarHBondContact O-ND1 2.95Å; V833-H850 PolarHBondContact O-N 3Å; P848-H850 PolarHBondContact O-CE1 2.83Å; P848-H850 PolarHBondContact O-ND1 2.81Å; H850-L852 PolarHBondContact O-N 2.82Å; H850-V855 HydrophobicContact CB-CG2 3.52Å; H850-G879 PolarHBondContact CD2-O 3.22Å; H850-Y898 PolarHBondContact CD2-OH 3.01Å; H850-Y898 AromaticContact NE2-CE1 3.65Å; H850-Y898 AromaticContact NE2-CZ 3.55Å; H850-Y898 PolarHBondContact NE2-OH 3.1Å | ||
| 851 | N | 98.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | trans | -70.3 | 131.8 | 178.8 | -177.3 | -80.6 | 0 | 0 | 0 | 110.6 | T853 E854 V855 D881 N1145 | N851-T853 VanDerWaalsContact C-N 3.32Å; N851-T853 PolarHBondContact O-N 3.32Å; N851-T853 WeakPolarHBondContact OD1-CA 3.21Å; N851-T853 WeakPolarHBondContact OD1-CB 3.47Å; N851-T853 PolarHBondContact OD1-N 3.12Å; N851-T853 PolarHBondContact OD1-OG1 2.88Å; N851-E854 HydrophobicContact CB-CB 4.05Å; N851-E854 HydrophobicContact CB-CG 3.87Å; N851-E854 WeakPolarHBondContact CB-OE2 3.3Å; N851-E854 PolarHBondContact O-N 3.1Å; N851-E854 PolarHBondContact OD1-N 2.66Å; N851-V855 WeakPolarHBondContact O-CB 3.25Å; N851-V855 VanDerWaalsContact O-CG2 3.3Å; N851-V855 WeakPolarHBondContact O-CG2 3.4Å; N851-V855 PolarHBondContact O-N 3.05Å; N851-D881 HydrophobicContact CB-CB 4.02Å; N851-D881 PolarHBondContact ND2-OD2 2.89Å; N851-N1145 PolarHBondContact ND2-O 3.36Å; N851-N1145 PolarHBondContact ND2-OD1 3.09Å | ||
| 852 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | -178.3 | 176.2 | 63.7 | 0 | 0 | 0 | 112.5 | Y828 V833 H850 I856 I1139 | Y828-L852 HydrophobicContact CD2-CD1 3.87Å; Y828-L852 HydrophobicContact CE2-CD1 4.5Å; Y828-L852 HydrophobicContact CG-CD1 4.18Å; V833-L852 HydrophobicContact CG1-CB 4.29Å; V833-L852 HydrophobicContact CG1-CD1 4.3Å; V833-L852 HydrophobicContact CG2-CB 4.46Å; V833-L852 HydrophobicContact CG2-CD1 3.75Å; H850-L852 PolarHBondContact O-N 2.82Å; L852-I856 HydrophobicContact CD1-CD1 3.75Å; L852-I856 HydrophobicContact CD1-CG1 4.31Å; L852-I856 HydrophobicContact CG-CD1 3.92Å; L852-I856 WeakPolarHBondContact O-CB 3.37Å; L852-I856 WeakPolarHBondContact O-CD1 3.37Å; L852-I856 VanDerWaalsContact O-CG1 3.25Å; L852-I856 WeakPolarHBondContact O-CG1 3.2Å; L852-I856 PolarHBondContact O-N 2.91Å; L852-I1139 HydrophobicContact CD1-CG2 4.36Å; L852-I1139 HydrophobicContact CD2-CG2 4.34Å |
| 853 | T | 98 | Very high | 96.4 | Very high | 28 Ų | 28 | 13.2 Ų | 13.2 | 17% | 0.172 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | -178 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | N851 I856 D857 K1140 G1144 | N851-T853 VanDerWaalsContact C-N 3.32Å; N851-T853 PolarHBondContact O-N 3.32Å; N851-T853 WeakPolarHBondContact OD1-CA 3.21Å; N851-T853 WeakPolarHBondContact OD1-CB 3.47Å; N851-T853 PolarHBondContact OD1-N 3.12Å; N851-T853 PolarHBondContact OD1-OG1 2.88Å; T853-I856 PolarHBondContact O-N 3.44Å; T853-D857 PolarHBondContact O-N 2.85Å; T853-K1140 HydrophobicContact CG2-CD 3.74Å; T853-K1140 VanDerWaalsContact CG2-CE 3.42Å; T853-K1140 HydrophobicContact CG2-CG 4.02Å; T853-G1144 WeakPolarHBondContact OG1-CA 3.38Å |
| 854 | E | 98.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 16.5 Ų | 16.5 | 15% | 0.145 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 179.6 | -68.1 | 175 | -179.3 | 0 | 0 | 111.7 | N851 I856 D857 G858 Y876 I877 R1147 | N851-E854 HydrophobicContact CB-CB 4.05Å; N851-E854 HydrophobicContact CB-CG 3.87Å; N851-E854 WeakPolarHBondContact CB-OE2 3.3Å; N851-E854 PolarHBondContact O-N 3.1Å; N851-E854 PolarHBondContact OD1-N 2.66Å; E854-I856 VanDerWaalsContact C-N 3.3Å; E854-I856 PolarHBondContact O-N 3.17Å; E854-D857 PolarHBondContact O-N 2.85Å; E854-G858 PolarHBondContact O-N 2.65Å; E854-Y876 VanDerWaalsContact CB-O 3.26Å; E854-Y876 WeakPolarHBondContact CB-O 3.47Å; E854-I877 WeakPolarHBondContact O-CG1 3.08Å; E854-R1147 IonicContact OE1-CZ 3.81Å; E854-R1147 IonicContact OE1-NE 2.71Å; E854-R1147 PolarHBondContact OE1-NE 3.07Å; E854-R1147 IonicContact OE1-NH2 3.65Å; E854-R1147 PolarHBondContact OE1-NH2 2.94Å; E854-R1147 IonicContact OE2-CZ 3.77Å; E854-R1147 IonicContact OE2-NE 3.82Å; E854-R1147 IonicContact OE2-NH2 2.69Å; E854-R1147 PolarHBondContact OE2-NH2 2.87Å |
| 855 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | P829 L832 V833 H850 N851 G858 T859 I877 | P829-V855 HydrophobicContact CB-CG1 3.73Å; P829-V855 HydrophobicContact CG-CG1 3.58Å; L832-V855 HydrophobicContact CB-CG1 4.25Å; L832-V855 HydrophobicContact CB-CG2 3.96Å; L832-V855 HydrophobicContact CD1-CG1 4.27Å; V833-V855 HydrophobicContact CG2-CB 4.28Å; V833-V855 HydrophobicContact CG2-CG1 4.19Å; V833-V855 HydrophobicContact CG2-CG2 4.41Å; H850-V855 HydrophobicContact CB-CG2 3.52Å; N851-V855 WeakPolarHBondContact O-CB 3.25Å; N851-V855 VanDerWaalsContact O-CG2 3.3Å; N851-V855 WeakPolarHBondContact O-CG2 3.4Å; N851-V855 PolarHBondContact O-N 3.05Å; V855-G858 PolarHBondContact O-N 2.97Å; V855-T859 WeakPolarHBondContact O-CB 3.17Å; V855-T859 PolarHBondContact O-N 3.5Å; V855-T859 PolarHBondContact O-OG1 3.01Å; V855-I877 HydrophobicContact CG2-CD1 4.45Å |
| 856 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.5 | -75.4 | 168.9 | 0 | 0 | 0 | 111.1 | L852 T853 E854 T859 I860 L1136 I1139 K1140 | L852-I856 HydrophobicContact CD1-CD1 3.75Å; L852-I856 HydrophobicContact CD1-CG1 4.31Å; L852-I856 HydrophobicContact CG-CD1 3.92Å; L852-I856 WeakPolarHBondContact O-CB 3.37Å; L852-I856 WeakPolarHBondContact O-CD1 3.37Å; L852-I856 VanDerWaalsContact O-CG1 3.25Å; L852-I856 WeakPolarHBondContact O-CG1 3.2Å; L852-I856 PolarHBondContact O-N 2.91Å; T853-I856 PolarHBondContact O-N 3.44Å; E854-I856 VanDerWaalsContact C-N 3.3Å; E854-I856 PolarHBondContact O-N 3.17Å; I856-T859 PolarHBondContact O-N 3.28Å; I856-I860 HydrophobicContact CG2-CD1 3.65Å; I856-I860 HydrophobicContact CG2-CG1 4.34Å; I856-I860 WeakPolarHBondContact O-CB 3.41Å; I856-I860 VanDerWaalsContact O-CG1 3.3Å; I856-I860 WeakPolarHBondContact O-CG1 3.44Å; I856-I860 PolarHBondContact O-N 2.72Å; I856-L1136 HydrophobicContact CG1-CD2 4.26Å; I856-L1136 HydrophobicContact CG2-CB 4.01Å; I856-I1139 HydrophobicContact CD1-CB 4.14Å; I856-I1139 HydrophobicContact CD1-CG2 3.84Å; I856-K1140 HydrophobicContact CB-CB 4.48Å; I856-K1140 HydrophobicContact CD1-CB 3.81Å; I856-K1140 HydrophobicContact CG2-CB 3.95Å; I856-K1140 HydrophobicContact CG2-CD 4.19Å |
| 857 | D | 98 | Very high | 97.2 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 179.9 | -72.4 | -30.1 | 0 | 0 | 0 | 111.9 | T853 E854 T859 I860 Y861 Y876 K1140 | T853-D857 PolarHBondContact O-N 2.85Å; E854-D857 PolarHBondContact O-N 2.85Å; D857-T859 VanDerWaalsContact C-N 3.35Å; D857-T859 PolarHBondContact O-N 3.01Å; D857-I860 PolarHBondContact O-N 3.22Å; D857-Y861 WeakPolarHBondContact O-CB 3.31Å; D857-Y861 PolarHBondContact O-N 3.31Å; D857-Y876 HydrophobicContact CB-CD1 3.97Å; D857-K1140 IonicContact OD1-NZ 2.63Å; D857-K1140 PolarHBondContact OD1-NZ 3.4Å; D857-K1140 IonicContact OD2-NZ 2.98Å; D857-K1140 PolarHBondContact OD2-NZ 3.34Å |
| 858 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E854 V855 Y861 L862 | E854-G858 PolarHBondContact O-N 2.65Å; V855-G858 PolarHBondContact O-N 2.97Å; G858-Y861 PolarHBondContact O-N 3.2Å; G858-L862 WeakPolarHBondContact O-CB 3.32Å; G858-L862 PolarHBondContact O-N 3.07Å |
| 859 | T | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 175.4 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | P829 V855 I856 D857 Y861 L862 I863 L1015 Y1018 I1019 L1136 | P829-T859 HydrophobicContact CG-CG2 4.48Å; P829-T859 WeakPolarHBondContact CG-OG1 3.47Å; V855-T859 WeakPolarHBondContact O-CB 3.17Å; V855-T859 PolarHBondContact O-N 3.5Å; V855-T859 PolarHBondContact O-OG1 3.01Å; I856-T859 PolarHBondContact O-N 3.28Å; D857-T859 VanDerWaalsContact C-N 3.35Å; D857-T859 PolarHBondContact O-N 3.01Å; T859-Y861 VanDerWaalsContact C-N 3.29Å; T859-Y861 PolarHBondContact O-N 3.42Å; T859-L862 PolarHBondContact O-N 3.35Å; T859-I863 HydrophobicContact CG2-CD1 4.19Å; T859-I863 VanDerWaalsContact O-CG1 3.32Å; T859-I863 WeakPolarHBondContact O-CG1 3.31Å; T859-I863 PolarHBondContact O-N 3.25Å; T859-L1015 WeakPolarHBondContact OG1-CD2 3.42Å; T859-Y1018 HydrophobicContact CG2-CD1 4.1Å; T859-Y1018 HydrophobicContact CG2-CE1 4.13Å; T859-I1019 HydrophobicContact CG2-CD1 4.14Å; T859-I1019 HydrophobicContact CG2-CG1 3.86Å; T859-L1136 HydrophobicContact CG2-CD1 3.83Å |
| 860 | I | 98 | Very high | 96.7 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.077 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 177.4 | -73.4 | 170.6 | 0 | 0 | 0 | 110.7 | I856 D857 I863 D864 K1133 L1136 R1137 | I856-I860 HydrophobicContact CG2-CD1 3.65Å; I856-I860 HydrophobicContact CG2-CG1 4.34Å; I856-I860 WeakPolarHBondContact O-CB 3.41Å; I856-I860 VanDerWaalsContact O-CG1 3.3Å; I856-I860 WeakPolarHBondContact O-CG1 3.44Å; I856-I860 PolarHBondContact O-N 2.72Å; D857-I860 PolarHBondContact O-N 3.22Å; I860-I863 PolarHBondContact O-N 2.9Å; I860-D864 PolarHBondContact O-N 2.99Å; I860-K1133 HydrophobicContact CG1-CG 4.29Å; I860-K1133 HydrophobicContact CG2-CD 4.03Å; I860-K1133 HydrophobicContact CG2-CG 4.33Å; I860-L1136 HydrophobicContact CD1-CB 4.12Å; I860-L1136 HydrophobicContact CG1-CB 4.17Å; I860-L1136 HydrophobicContact CG1-CD1 4.03Å; I860-R1137 HydrophobicContact CD1-CG 3.74Å |
| 861 | Y | 97.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.6 | -175.5 | -94.3 | 0 | 0 | 0 | 112 | D857 G858 T859 D864 H865 A868 K872 Y876 | D857-Y861 WeakPolarHBondContact O-CB 3.31Å; D857-Y861 PolarHBondContact O-N 3.31Å; G858-Y861 PolarHBondContact O-N 3.2Å; T859-Y861 VanDerWaalsContact C-N 3.29Å; T859-Y861 PolarHBondContact O-N 3.42Å; Y861-D864 CarbonylContact O-C 3.53Å; Y861-D864 PolarHBondContact O-N 3.44Å; Y861-H865 AromaticContact CD2-ND1 3.77Å; Y861-H865 HydrophobicContact CE1-CB 4.07Å; Y861-H865 AromaticContact CE2-CE1 3.71Å; Y861-H865 AromaticContact CE2-ND1 3.51Å; Y861-H865 AromaticContact CZ-CG 3.92Å; Y861-H865 AromaticContact CZ-ND1 3.64Å; Y861-H865 PolarHBondContact O-N 3.04Å; Y861-H865 PolarHBondContact O-ND1 3.21Å; Y861-A868 HydrophobicContact CD1-CB 4.18Å; Y861-A868 HydrophobicContact CE1-CB 3.71Å; Y861-K872 HydrophobicContact CD1-CG 4.48Å; Y861-K872 HydrophobicContact CE1-CB 4.38Å; Y861-K872 HydrophobicContact CE1-CG 3.45Å; Y861-K872 VanDerWaalsContact CE1-CG 3.45Å; Y861-K872 VanDerWaalsContact OH-CE 3.26Å; Y861-K872 WeakPolarHBondContact OH-CE 3.25Å; Y861-K872 WeakPolarHBondContact OH-CG 3.07Å; Y861-Y876 HydrophobicContact CD1-CD2 4.3Å; Y861-Y876 AromaticContact CD1-CE2 3.83Å; Y861-Y876 HydrophobicContact CD1-CE2 3.83Å; Y861-Y876 HydrophobicContact CD2-CD2 4.39Å; Y861-Y876 HydrophobicContact CD2-CE1 4.48Å; Y861-Y876 AromaticContact CD2-CE2 3.36Å; Y861-Y876 HydrophobicContact CD2-CE2 3.36Å; Y861-Y876 AromaticContact CD2-CZ 3.42Å; Y861-Y876 VanDerWaalsContact CD2-CZ 3.42Å; Y861-Y876 WeakPolarHBondContact CD2-OH 3.25Å; Y861-Y876 HydrophobicContact CE1-CE2 4.27Å; Y861-Y876 AromaticContact CE2-CE2 3.83Å; Y861-Y876 HydrophobicContact CE2-CE2 3.83Å; Y861-Y876 AromaticContact CE2-CZ 3.97Å; Y861-Y876 WeakPolarHBondContact CE2-OH 3.43Å; Y861-Y876 AromaticContact CG-CD2 3.97Å; Y861-Y876 HydrophobicContact CG-CD2 3.97Å; Y861-Y876 AromaticContact CG-CE2 3.34Å; Y861-Y876 HydrophobicContact CG-CE2 3.34Å; Y861-Y876 AromaticContact CG-CZ 3.82Å |
| 862 | L | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -34.8 | 178.4 | -172.8 | 61.8 | 0 | 0 | 0 | 112.6 | G858 T859 D864 H865 P866 A868 I873 L1015 E1016 I1019 | G858-L862 WeakPolarHBondContact O-CB 3.32Å; G858-L862 PolarHBondContact O-N 3.07Å; T859-L862 PolarHBondContact O-N 3.35Å; L862-D864 VanDerWaalsContact C-N 3.29Å; L862-D864 PolarHBondContact O-N 3.22Å; L862-H865 CarbonylContact O-C 3.41Å; L862-H865 PolarHBondContact O-N 2.85Å; L862-P866 WeakPolarHBondContact O-CA 3.43Å; L862-P866 VanDerWaalsContact O-N 3.1Å; L862-A868 HydrophobicContact CD1-CB 4.16Å; L862-I873 HydrophobicContact CD1-CD1 4.02Å; L862-I873 HydrophobicContact CD2-CD1 4.49Å; L862-L1015 HydrophobicContact CD2-CB 3.49Å; L862-L1015 VanDerWaalsContact CD2-CB 3.49Å; L862-L1015 HydrophobicContact CD2-CD1 4.22Å; L862-E1016 HydrophobicContact CD2-CG 4.02Å; L862-I1019 HydrophobicContact CB-CD1 4.14Å; L862-I1019 HydrophobicContact CD2-CD1 3.89Å; L862-I1019 HydrophobicContact CG-CD1 4Å |
| 863 | I | 96.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 171.7 | -67.8 | 163.4 | 0 | 0 | 0 | 110.9 | T859 I860 I1019 H1129 L1132 K1133 L1136 | T859-I863 HydrophobicContact CG2-CD1 4.19Å; T859-I863 VanDerWaalsContact O-CG1 3.32Å; T859-I863 WeakPolarHBondContact O-CG1 3.31Å; T859-I863 PolarHBondContact O-N 3.25Å; I860-I863 PolarHBondContact O-N 2.9Å; I863-I1019 HydrophobicContact CD1-CG1 4.35Å; I863-I1019 HydrophobicContact CG1-CD1 3.7Å; I863-I1019 HydrophobicContact CG1-CG1 3.87Å; I863-I1019 HydrophobicContact CG1-CG2 4.12Å; I863-H1129 HydrophobicContact CG2-CB 3.89Å; I863-L1132 HydrophobicContact CD1-CD2 3.59Å; I863-L1132 HydrophobicContact CD1-CG 3.78Å; I863-L1132 HydrophobicContact CG1-CD2 4.26Å; I863-K1133 HydrophobicContact CB-CD 4.43Å; I863-K1133 HydrophobicContact CB-CG 4.45Å; I863-K1133 HydrophobicContact CD1-CG 4.01Å; I863-K1133 HydrophobicContact CG2-CD 4.01Å; I863-K1133 HydrophobicContact CG2-CG 4.08Å; I863-L1136 HydrophobicContact CD1-CD1 3.91Å |
| 864 | D | 96.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -78.5 | -24.7 | 178.7 | -76.9 | -31.9 | 0 | 0 | 0 | 113 | I860 Y861 L862 K1133 | I860-D864 PolarHBondContact O-N 2.99Å; Y861-D864 CarbonylContact O-C 3.53Å; Y861-D864 PolarHBondContact O-N 3.44Å; L862-D864 VanDerWaalsContact C-N 3.29Å; L862-D864 PolarHBondContact O-N 3.22Å; D864-K1133 IonicContact OD1-NZ 2.69Å; D864-K1133 PolarHBondContact OD1-NZ 2.91Å; D864-K1133 IonicContact OD2-NZ 2.94Å; D864-K1133 PolarHBondContact OD2-NZ 3.1Å |
| 865 | H | 96.2 | Very high | 96.2 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | trans | -136.3 | 76.8 | -178.5 | -52 | 85.8 | 0 | 0 | 0 | 111.3 | Y861 L862 N867 A868 | Y861-H865 AromaticContact CD2-ND1 3.77Å; Y861-H865 HydrophobicContact CE1-CB 4.07Å; Y861-H865 AromaticContact CE2-CE1 3.71Å; Y861-H865 AromaticContact CE2-ND1 3.51Å; Y861-H865 AromaticContact CZ-CG 3.92Å; Y861-H865 AromaticContact CZ-ND1 3.64Å; Y861-H865 PolarHBondContact O-N 3.04Å; Y861-H865 PolarHBondContact O-ND1 3.21Å; L862-H865 CarbonylContact O-C 3.41Å; L862-H865 PolarHBondContact O-N 2.85Å; H865-N867 PolarHBondContact O-N 3.06Å; H865-N867 VanDerWaalsContact O-N 3.1Å; H865-A868 HydrophobicContact CB-CB 4.2Å; H865-A868 WeakPolarHBondContact O-CB 3.49Å; H865-A868 PolarHBondContact O-N 3.19Å | ||
| 866 | P | 93.8 | Very high | 96.2 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 49% | 0.494 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.4 | -176 | -27.1 | 35.4 | 0 | 0 | 0 | 113.8 | L862 A868 K1012 | L862-P866 WeakPolarHBondContact O-CA 3.43Å; L862-P866 VanDerWaalsContact O-N 3.1Å; P866-A868 VanDerWaalsContact C-N 3.27Å; P866-A868 PolarHBondContact O-N 3.37Å; P866-K1012 PolarHBondContact O-NZ 3.13Å |
| 867 | N | 94 | Very high | 96.1 | Very high | 158 Ų | 158 | 46.4 Ų | 46.4 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | 14.9 | 178 | -63.4 | -25.6 | 0 | 0 | 0 | 113.5 | H865 S869 | H865-N867 PolarHBondContact O-N 3.06Å; H865-N867 VanDerWaalsContact O-N 3.1Å; N867-S869 PolarHBondContact O-N 3.43Å |
| 868 | A | 93.5 | Very high | 96 | Very high | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -53.6 | 137.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y861 L862 H865 P866 I873 K1012 | Y861-A868 HydrophobicContact CD1-CB 4.18Å; Y861-A868 HydrophobicContact CE1-CB 3.71Å; L862-A868 HydrophobicContact CD1-CB 4.16Å; H865-A868 HydrophobicContact CB-CB 4.2Å; H865-A868 WeakPolarHBondContact O-CB 3.49Å; H865-A868 PolarHBondContact O-N 3.19Å; P866-A868 VanDerWaalsContact C-N 3.27Å; P866-A868 PolarHBondContact O-N 3.37Å; A868-I873 HydrophobicContact CB-CD1 4.47Å; A868-I873 HydrophobicContact CB-CG1 4.11Å; A868-K1012 PolarHBondContact O-NZ 3.39Å | ||
| 869 | S | 94.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 24% | 0.237 | S | C | . | . | trans | -71.7 | 156.8 | 171 | 86.2 | 0 | 0 | 0 | 0 | 109.8 | N867 E871 K872 I873 | N867-S869 PolarHBondContact O-N 3.43Å; S869-E871 VanDerWaalsContact C-N 3.27Å; S869-E871 VanDerWaalsContact CB-OE2 3.26Å; S869-E871 WeakPolarHBondContact CB-OE2 3.42Å; S869-E871 PolarHBondContact O-N 2.57Å; S869-E871 PolarHBondContact OG-OE2 3.45Å; S869-K872 PolarHBondContact O-N 3.09Å; S869-K872 VanDerWaalsContact O-N 3.12Å; S869-K872 PolarHBondContact OG-N 3.18Å; S869-I873 PolarHBondContact O-N 2.96Å | ||
| 870 | L | 94.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.8 | 177 | 66.6 | 0 | 0 | 0 | 111.6 | K872 I873 M874 K895 E899 L1011 | L870-K872 PolarHBondContact O-N 3.44Å; L870-I873 PolarHBondContact O-N 2.83Å; L870-I873 VanDerWaalsContact O-N 3.07Å; L870-M874 HydrophobicContact CD1-CG 4.3Å; L870-M874 HydrophobicContact CD2-SD 4.42Å; L870-M874 HydrophobicContact CG-CG 4.25Å; L870-M874 HydrophobicContact CG-SD 4.15Å; L870-M874 WeakPolarHBondContact O-CG 3.33Å; L870-M874 PolarHBondContact O-N 2.91Å; L870-K895 HydrophobicContact CD2-CG 4.47Å; L870-E899 HydrophobicContact CD2-CB 4.14Å; L870-E899 HydrophobicContact CD2-CG 3.16Å; L870-L1011 HydrophobicContact CD1-CB 4.08Å; L870-L1011 HydrophobicContact CD1-CD2 4.15Å |
| 871 | E | 94.4 | Very high | 95.9 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.1 | -37.6 | 178.3 | -61.3 | 78.9 | -174.5 | 0 | 0 | 111.4 | S869 M874 E875 K895 | S869-E871 VanDerWaalsContact C-N 3.27Å; S869-E871 VanDerWaalsContact CB-OE2 3.26Å; S869-E871 WeakPolarHBondContact CB-OE2 3.42Å; S869-E871 PolarHBondContact O-N 2.57Å; S869-E871 PolarHBondContact OG-OE2 3.45Å; E871-M874 PolarHBondContact O-N 2.69Å; E871-E875 PolarHBondContact O-N 3.06Å; E871-K895 WeakPolarHBondContact OE1-CE 3.39Å; E871-K895 IonicContact OE1-NZ 3.85Å; E871-K895 PolarHBondContact OE1-NZ 3.22Å |
| 872 | K | 95.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 179.6 | -169.4 | 53.3 | 171 | 177.4 | 0 | 112.4 | Y861 S869 L870 M874 E875 Y876 | Y861-K872 HydrophobicContact CD1-CG 4.48Å; Y861-K872 HydrophobicContact CE1-CB 4.38Å; Y861-K872 HydrophobicContact CE1-CG 3.45Å; Y861-K872 VanDerWaalsContact CE1-CG 3.45Å; Y861-K872 VanDerWaalsContact OH-CE 3.26Å; Y861-K872 WeakPolarHBondContact OH-CE 3.25Å; Y861-K872 WeakPolarHBondContact OH-CG 3.07Å; S869-K872 PolarHBondContact O-N 3.09Å; S869-K872 VanDerWaalsContact O-N 3.12Å; S869-K872 PolarHBondContact OG-N 3.18Å; L870-K872 PolarHBondContact O-N 3.44Å; K872-M874 VanDerWaalsContact C-N 3.28Å; K872-E875 HydrophobicContact CD-CG 4.38Å; K872-E875 WeakPolarHBondContact CD-OE1 3.29Å; K872-E875 IonicContact NZ-OE1 4Å; K872-E875 PolarHBondContact NZ-OE1 2.88Å; K872-E875 IonicContact NZ-OE2 2.74Å; K872-E875 PolarHBondContact NZ-OE2 3.27Å; K872-E875 WeakPolarHBondContact O-CB 3.42Å; K872-E875 PolarHBondContact O-N 2.96Å; K872-Y876 WeakPolarHBondContact O-CD2 3.49Å |
| 873 | I | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 172.4 | -60 | 169.4 | 0 | 0 | 0 | 109.9 | L862 A868 S869 L870 E875 Y876 I877 L1011 K1012 L1015 | L862-I873 HydrophobicContact CD1-CD1 4.02Å; L862-I873 HydrophobicContact CD2-CD1 4.49Å; A868-I873 HydrophobicContact CB-CD1 4.47Å; A868-I873 HydrophobicContact CB-CG1 4.11Å; S869-I873 PolarHBondContact O-N 2.96Å; L870-I873 PolarHBondContact O-N 2.83Å; L870-I873 VanDerWaalsContact O-N 3.07Å; I873-E875 PolarHBondContact O-N 2.97Å; I873-Y876 WeakPolarHBondContact O-CB 3.46Å; I873-Y876 PolarHBondContact O-N 3.39Å; I873-I877 HydrophobicContact CG2-CD1 4.28Å; I873-I877 PolarHBondContact O-N 3.03Å; I873-L1011 HydrophobicContact CG2-CD2 3.93Å; I873-L1011 HydrophobicContact CG2-CG 4.42Å; I873-K1012 HydrophobicContact CD1-CB 3.97Å; I873-K1012 HydrophobicContact CD1-CD 4.12Å; I873-K1012 HydrophobicContact CD1-CG 3.92Å; I873-L1015 HydrophobicContact CG2-CD1 3.98Å |
| 874 | M | 96.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -17.8 | 178.4 | -71 | -177.6 | 74.2 | 0 | 0 | 114.4 | L870 E871 K872 Y876 I877 P878 I894 K895 Y898 | L870-M874 HydrophobicContact CD1-CG 4.3Å; L870-M874 HydrophobicContact CD2-SD 4.42Å; L870-M874 HydrophobicContact CG-CG 4.25Å; L870-M874 HydrophobicContact CG-SD 4.15Å; L870-M874 WeakPolarHBondContact O-CG 3.33Å; L870-M874 PolarHBondContact O-N 2.91Å; E871-M874 PolarHBondContact O-N 2.69Å; K872-M874 VanDerWaalsContact C-N 3.28Å; M874-Y876 PolarHBondContact O-N 3.11Å; M874-I877 WeakPolarHBondContact CA-O 3.47Å; M874-I877 CarbonylContact O-C 3.59Å; M874-P878 VanDerWaalsContact O-CA 3.28Å; M874-P878 WeakPolarHBondContact O-CA 3.36Å; M874-I894 HydrophobicContact CE-CG2 4.18Å; M874-K895 HydrophobicContact CE-CB 3.97Å; M874-K895 HydrophobicContact SD-CB 3.95Å; M874-K895 HydrophobicContact SD-CG 3.87Å; M874-Y898 HydrophobicContact CE-CD2 3.9Å; M874-Y898 HydrophobicContact CE-CE2 4.2Å; M874-Y898 HydrophobicContact CG-CD2 3.85Å; M874-Y898 HydrophobicContact CG-CE2 4.31Å; M874-Y898 HydrophobicContact SD-CD2 3.94Å |
| 875 | E | 96.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 41.8 Ų | 41.8 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26.2 | 169.1 | -67 | -178.8 | -153.1 | 0 | 0 | 112.1 | E871 K872 I873 | E871-E875 PolarHBondContact O-N 3.06Å; K872-E875 HydrophobicContact CD-CG 4.38Å; K872-E875 WeakPolarHBondContact CD-OE1 3.29Å; K872-E875 IonicContact NZ-OE1 4Å; K872-E875 PolarHBondContact NZ-OE1 2.88Å; K872-E875 IonicContact NZ-OE2 2.74Å; K872-E875 PolarHBondContact NZ-OE2 3.27Å; K872-E875 WeakPolarHBondContact O-CB 3.42Å; K872-E875 PolarHBondContact O-N 2.96Å; I873-E875 PolarHBondContact O-N 2.97Å |
| 876 | Y | 97 | Very high | 95.6 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -37.1 | 176.6 | -59.1 | -83.4 | 0 | 0 | 0 | 112.2 | E854 D857 Y861 K872 I873 M874 P878 | E854-Y876 VanDerWaalsContact CB-O 3.26Å; E854-Y876 WeakPolarHBondContact CB-O 3.47Å; D857-Y876 HydrophobicContact CB-CD1 3.97Å; Y861-Y876 HydrophobicContact CD1-CD2 4.3Å; Y861-Y876 AromaticContact CD1-CE2 3.83Å; Y861-Y876 HydrophobicContact CD1-CE2 3.83Å; Y861-Y876 HydrophobicContact CD2-CD2 4.39Å; Y861-Y876 HydrophobicContact CD2-CE1 4.48Å; Y861-Y876 AromaticContact CD2-CE2 3.36Å; Y861-Y876 HydrophobicContact CD2-CE2 3.36Å; Y861-Y876 AromaticContact CD2-CZ 3.42Å; Y861-Y876 VanDerWaalsContact CD2-CZ 3.42Å; Y861-Y876 WeakPolarHBondContact CD2-OH 3.25Å; Y861-Y876 HydrophobicContact CE1-CE2 4.27Å; Y861-Y876 AromaticContact CE2-CE2 3.83Å; Y861-Y876 HydrophobicContact CE2-CE2 3.83Å; Y861-Y876 AromaticContact CE2-CZ 3.97Å; Y861-Y876 WeakPolarHBondContact CE2-OH 3.43Å; Y861-Y876 AromaticContact CG-CD2 3.97Å; Y861-Y876 HydrophobicContact CG-CD2 3.97Å; Y861-Y876 AromaticContact CG-CE2 3.34Å; Y861-Y876 HydrophobicContact CG-CE2 3.34Å; Y861-Y876 AromaticContact CG-CZ 3.82Å; K872-Y876 WeakPolarHBondContact O-CD2 3.49Å; I873-Y876 WeakPolarHBondContact O-CB 3.46Å; I873-Y876 PolarHBondContact O-N 3.39Å; M874-Y876 PolarHBondContact O-N 3.11Å; Y876-P878 WeakPolarHBondContact O-CD 3.47Å |
| 877 | I | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -116.5 | 82.9 | 178.3 | -52 | 172.9 | 0 | 0 | 0 | 108.4 | E854 V855 I873 M874 G879 L1011 L1015 | E854-I877 WeakPolarHBondContact O-CG1 3.08Å; V855-I877 HydrophobicContact CG2-CD1 4.45Å; I873-I877 HydrophobicContact CG2-CD1 4.28Å; I873-I877 PolarHBondContact O-N 3.03Å; M874-I877 WeakPolarHBondContact CA-O 3.47Å; M874-I877 CarbonylContact O-C 3.59Å; I877-G879 VanDerWaalsContact C-N 3.26Å; I877-G879 PolarHBondContact O-N 3.47Å; I877-L1011 HydrophobicContact CB-CD2 4.22Å; I877-L1011 HydrophobicContact CD1-CD1 4.12Å; I877-L1011 HydrophobicContact CD1-CD2 4.34Å; I877-L1011 HydrophobicContact CG2-CD2 4.28Å; I877-L1015 HydrophobicContact CD1-CD1 3.98Å | ||
| 878 | P | 95.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 27.6 Ų | 27.6 | 26% | 0.26 | 14% | 0.143 | S | C | . | . | trans | -69.4 | -21.9 | -170.8 | 26.7 | -35.2 | 0 | 0 | 0 | 114 | M874 Y876 I1151 | M874-P878 VanDerWaalsContact O-CA 3.28Å; M874-P878 WeakPolarHBondContact O-CA 3.36Å; Y876-P878 WeakPolarHBondContact O-CD 3.47Å; P878-I1151 HydrophobicContact CB-CD1 4.09Å; P878-I1151 HydrophobicContact CG-CD1 4.33Å | ||
| 879 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 167.1 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H850 I877 Y898 R1147 | H850-G879 PolarHBondContact CD2-O 3.22Å; I877-G879 VanDerWaalsContact C-N 3.26Å; I877-G879 PolarHBondContact O-N 3.47Å; G879-Y898 WeakPolarHBondContact CA-OH 3.35Å; G879-R1147 PolarHBondContact O-NH2 3.28Å |
| 880 | P | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -52 | 150.7 | 170.2 | -29.2 | 36.1 | 0 | 0 | 0 | 113.9 | P848 T849 F882 L888 F996 R1147 | P848-P880 HydrophobicContact CB-CB 3.93Å; P848-P880 HydrophobicContact CB-CG 3.96Å; P848-P880 HydrophobicContact CG-CB 4.18Å; P848-P880 HydrophobicContact CG-CG 3.69Å; T849-P880 CarbonylContact O-C 3.6Å; T849-P880 WeakPolarHBondContact O-CA 3.46Å; P880-F882 HydrophobicContact CB-CD2 4.45Å; P880-F882 HydrophobicContact CB-CE1 4.49Å; P880-F882 HydrophobicContact CB-CE2 3.82Å; P880-F882 HydrophobicContact CB-CZ 3.86Å; P880-L888 HydrophobicContact CB-CD2 3.97Å; P880-L888 HydrophobicContact CG-CD2 3.85Å; P880-F996 HydrophobicContact CG-CE1 3.75Å; P880-F996 HydrophobicContact CG-CE2 4.5Å; P880-F996 HydrophobicContact CG-CZ 3.4Å; P880-F996 VanDerWaalsContact CG-CZ 3.4Å; P880-R1147 PolarHBondContact O-NH1 3.27Å | ||
| 881 | D | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -131.5 | 102.1 | 169.2 | -174.3 | 35.7 | 0 | 0 | 0 | 109.1 | R764 T849 N851 L1148 T1149 | R764-D881 IonicContact CZ-OD2 3.63Å; R764-D881 VanDerWaalsContact CZ-OD2 3.3Å; R764-D881 IonicContact NE-OD2 2.66Å; R764-D881 PolarHBondContact NE-OD2 3.24Å; R764-D881 IonicContact NH2-OD2 3.31Å; R764-D881 PolarHBondContact NH2-OD2 2.98Å; T849-D881 CarbonylContact C-O 3.54Å; T849-D881 WeakPolarHBondContact CB-O 3.22Å; T849-D881 PolarHBondContact O-N 3.05Å; T849-D881 PolarHBondContact OG1-O 3.48Å; N851-D881 HydrophobicContact CB-CB 4.02Å; N851-D881 PolarHBondContact ND2-OD2 2.89Å; D881-L1148 PolarHBondContact OD1-N 2.74Å; D881-T1149 PolarHBondContact OD1-N 2.94Å; D881-T1149 PolarHBondContact OD1-OG1 2.84Å | ||
| 882 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -81.2 | 142.2 | -178.1 | -61.4 | -71.1 | 0 | 0 | 0 | 112.1 | P848 T849 P880 T884 G885 L888 L907 Y930 Y994 T1149 | P848-F882 HydrophobicContact CB-CE1 3.84Å; P848-F882 HydrophobicContact CB-CZ 4.04Å; T849-F882 WeakPolarHBondContact OG1-CA 3.4Å; P880-F882 HydrophobicContact CB-CD2 4.45Å; P880-F882 HydrophobicContact CB-CE1 4.49Å; P880-F882 HydrophobicContact CB-CE2 3.82Å; P880-F882 HydrophobicContact CB-CZ 3.86Å; F882-T884 PolarHBondContact O-N 3.19Å; F882-G885 PolarHBondContact O-N 3.26Å; F882-L888 HydrophobicContact CE2-CD1 3.98Å; F882-L888 HydrophobicContact CE2-CD2 4.39Å; F882-L907 HydrophobicContact CD2-CD1 3.87Å; F882-L907 HydrophobicContact CD2-CD2 3.77Å; F882-L907 HydrophobicContact CD2-CG 4.49Å; F882-L907 HydrophobicContact CE2-CD1 4.05Å; F882-L907 HydrophobicContact CE2-CD2 3.82Å; F882-L907 HydrophobicContact CE2-CG 4.48Å; F882-L907 HydrophobicContact CG-CD2 4.24Å; F882-L907 HydrophobicContact CZ-CD2 4.31Å; F882-Y930 HydrophobicContact CB-CD2 4.39Å; F882-Y930 HydrophobicContact CB-CG 4.3Å; F882-Y930 AromaticContact CD1-CD1 3.53Å; F882-Y930 HydrophobicContact CD1-CD1 3.53Å; F882-Y930 HydrophobicContact CD1-CD2 4.06Å; F882-Y930 HydrophobicContact CD1-CE1 4.23Å; F882-Y930 AromaticContact CD1-CG 3.43Å; F882-Y930 HydrophobicContact CD1-CG 3.43Å; F882-Y930 VanDerWaalsContact CD1-CG 3.43Å; F882-Y930 AromaticContact CE1-CD1 3.7Å; F882-Y930 HydrophobicContact CE1-CD1 3.7Å; F882-Y930 HydrophobicContact CE1-CE1 4.38Å; F882-Y930 HydrophobicContact CE1-CG 4.05Å; F882-Y930 HydrophobicContact CG-CG 4.12Å; F882-Y994 HydrophobicContact CE1-CD2 4.39Å; F882-Y994 HydrophobicContact CE1-CE1 4.19Å; F882-Y994 AromaticContact CE1-CE2 3.96Å; F882-Y994 HydrophobicContact CE1-CE2 3.96Å; F882-Y994 AromaticContact CE1-CZ 3.84Å; F882-Y994 HydrophobicContact CZ-CD1 4.02Å; F882-Y994 HydrophobicContact CZ-CD2 4.22Å; F882-Y994 AromaticContact CZ-CE1 3.96Å; F882-Y994 HydrophobicContact CZ-CE1 3.96Å; F882-Y994 HydrophobicContact CZ-CE2 4.19Å; F882-Y994 HydrophobicContact CZ-CG 4.14Å; F882-T1149 HydrophobicContact CD2-CG2 4.18Å; F882-T1149 PolarHBondContact N-OG1 3.46Å | ||
| 883 | P | 95.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 28 Ų | 28 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.5 | 177.7 | 24.5 | -34 | 0 | 0 | 0 | 113.8 | D760 W761 G885 Y930 | D760-P883 WeakPolarHBondContact O-CB 3.45Å; W761-P883 WeakPolarHBondContact O-CG 3.42Å; P883-G885 VanDerWaalsContact C-N 3.33Å; P883-Y930 HydrophobicContact CG-CD2 3.79Å; P883-Y930 HydrophobicContact CG-CE2 3.54Å |
| 884 | T | 95.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.9 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | W761 F882 I928 Y930 | W761-T884 HydrophobicContact CB-CG2 4.12Å; F882-T884 PolarHBondContact O-N 3.19Å; T884-I928 WeakPolarHBondContact CB-O 3.37Å; T884-I928 PolarHBondContact OG1-O 3.05Å; T884-Y930 WeakPolarHBondContact OG1-CA 3.25Å; T884-Y930 PolarHBondContact OG1-N 3.38Å |
| 885 | G | 95.1 | Very high | 95 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | trans | 68.3 | -139.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F882 P883 | F882-G885 PolarHBondContact O-N 3.26Å; P883-G885 VanDerWaalsContact C-N 3.33Å | ||
| 886 | G | 95 | Very high | 95 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 101.9 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R908 E927 T1149 T1150 | G886-R908 CarbonylContact C-O 3.57Å; G886-R908 WeakPolarHBondContact CA-O 3.42Å; G886-E927 WeakPolarHBondContact CA-OE2 3.43Å; G886-E927 PolarHBondContact N-OE2 3.16Å; G886-T1149 WeakPolarHBondContact O-CA 3Å; G886-T1150 PolarHBondContact O-N 3.29Å | ||
| 887 | I | 96.5 | Very high | 94.9 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111 | 178.9 | -54.7 | 171.8 | 0 | 0 | 0 | 107.5 | Q889 R908 T1150 E1152 | I887-Q889 HydrophobicContact CG2-CG 4.17Å; I887-R908 HydrophobicContact CB-CB 4.34Å; I887-R908 PolarHBondContact N-O 2.89Å; I887-R908 PolarHBondContact O-N 2.9Å; I887-T1150 CarbonylContact C-O 3.35Å; I887-T1150 WeakPolarHBondContact CA-O 3.48Å; I887-E1152 HydrophobicContact CG2-CG 3.79Å |
| 888 | L | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.7 | 178.4 | -167.4 | 66.3 | 0 | 0 | 0 | 109.9 | P880 F882 I894 V905 I906 L907 T1149 T1150 I1151 E1152 | P880-L888 HydrophobicContact CB-CD2 3.97Å; P880-L888 HydrophobicContact CG-CD2 3.85Å; F882-L888 HydrophobicContact CE2-CD1 3.98Å; F882-L888 HydrophobicContact CE2-CD2 4.39Å; L888-I894 HydrophobicContact CD2-CD1 3.63Å; L888-I894 HydrophobicContact CD2-CG1 4.38Å; L888-I894 HydrophobicContact CG-CD1 4.19Å; L888-V905 HydrophobicContact CD1-CB 4.05Å; L888-V905 HydrophobicContact CD1-CG2 3.45Å; L888-V905 VanDerWaalsContact CD1-CG2 3.45Å; L888-V905 HydrophobicContact CG-CG2 4.3Å; L888-I906 CarbonylContact C-O 3.58Å; L888-I906 WeakPolarHBondContact CA-O 3.31Å; L888-L907 HydrophobicContact CB-CD1 4.49Å; L888-L907 HydrophobicContact CD1-CB 4.2Å; L888-L907 HydrophobicContact CD1-CD1 4.14Å; L888-T1149 HydrophobicContact CB-CG2 3.8Å; L888-T1150 PolarHBondContact N-O 2.85Å; L888-I1151 HydrophobicContact CB-CG1 4.43Å; L888-I1151 CarbonylContact O-C 3.55Å; L888-I1151 WeakPolarHBondContact O-CA 3.49Å; L888-E1152 PolarHBondContact O-N 2.84Å |
| 889 | Q | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.5 | -177.2 | -50.9 | -171.3 | -40.2 | 0 | 0 | 111.3 | I887 I906 R908 E1152 I1155 S1156 | I887-Q889 HydrophobicContact CG2-CG 4.17Å; Q889-I906 HydrophobicContact CB-CB 4.3Å; Q889-I906 PolarHBondContact N-O 3.16Å; Q889-I906 PolarHBondContact O-N 3.07Å; Q889-I906 VanDerWaalsContact O-N 3.16Å; Q889-R908 VanDerWaalsContact NE2-CZ 3.28Å; Q889-R908 VanDerWaalsContact NE2-NH1 3.12Å; Q889-R908 VanDerWaalsContact OE1-NH2 3.09Å; Q889-E1152 HydrophobicContact CG-CB 4.3Å; Q889-E1152 PolarHBondContact NE2-OE2 3.23Å; Q889-I1155 HydrophobicContact CB-CG1 4.27Å; Q889-S1156 PolarHBondContact NE2-OG 2.74Å |
| 890 | G | 90.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | trans | 105.8 | 61.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A892 E893 I894 E1152 D1153 | G890-A892 PolarHBondContact O-N 3.28Å; G890-E893 PolarHBondContact O-N 2.79Å; G890-I894 PolarHBondContact O-N 3.01Å; G890-I894 VanDerWaalsContact O-N 3.12Å; G890-E1152 PolarHBondContact N-O 2.85Å; G890-E1152 VanDerWaalsContact N-O 3.1Å; G890-D1153 WeakPolarHBondContact CA-O 3.17Å | ||
| 891 | K | 90.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 31.4 Ų | 31.4 | 43% | 0.426 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.3 | -34.2 | 179.9 | -172.5 | 177.8 | -177.9 | 177.1 | 0 | 113.9 | E893 I894 K895 D1153 | K891-E893 VanDerWaalsContact C-N 3.32Å; K891-E893 PolarHBondContact O-N 3.09Å; K891-I894 WeakPolarHBondContact O-CB 3.15Å; K891-I894 PolarHBondContact O-N 3.44Å; K891-K895 PolarHBondContact O-N 3.07Å; K891-D1153 WeakPolarHBondContact CD-OD1 3.38Å; K891-D1153 PolarHBondContact N-O 2.84Å; K891-D1153 IonicContact NZ-OD1 2.63Å |
| 892 | A | 91.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 63% | 0.628 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.8 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G890 K895 K896 | G890-A892 PolarHBondContact O-N 3.28Å; A892-K895 WeakPolarHBondContact O-CB 3.49Å; A892-K895 PolarHBondContact O-N 3.15Å; A892-K896 PolarHBondContact O-N 2.98Å |
| 893 | E | 92.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -74.3 | -31.4 | 176.6 | -71 | -65.3 | 132.7 | 0 | 0 | 112 | G890 K891 K896 A897 K904 V905 | G890-E893 PolarHBondContact O-N 2.79Å; K891-E893 VanDerWaalsContact C-N 3.32Å; K891-E893 PolarHBondContact O-N 3.09Å; E893-K896 PolarHBondContact O-N 3.26Å; E893-K896 IonicContact OE2-NZ 2.64Å; E893-A897 WeakPolarHBondContact O-CB 3.49Å; E893-A897 PolarHBondContact O-N 3.26Å; E893-K904 WeakPolarHBondContact CB-O 3.13Å; E893-K904 WeakPolarHBondContact CG-O 3.33Å; E893-V905 HydrophobicContact CB-CG1 3.98Å |
| 894 | I | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 169.1 | -60.7 | 173.8 | 0 | 0 | 0 | 109.9 | M874 L888 G890 K891 K896 A897 Y898 V905 F996 I1151 | M874-I894 HydrophobicContact CE-CG2 4.18Å; L888-I894 HydrophobicContact CD2-CD1 3.63Å; L888-I894 HydrophobicContact CD2-CG1 4.38Å; L888-I894 HydrophobicContact CG-CD1 4.19Å; G890-I894 PolarHBondContact O-N 3.01Å; G890-I894 VanDerWaalsContact O-N 3.12Å; K891-I894 WeakPolarHBondContact O-CB 3.15Å; K891-I894 PolarHBondContact O-N 3.44Å; I894-K896 PolarHBondContact O-N 3.37Å; I894-A897 WeakPolarHBondContact O-CB 3.25Å; I894-A897 PolarHBondContact O-N 3.41Å; I894-Y898 HydrophobicContact CG2-CD2 4.01Å; I894-Y898 HydrophobicContact CG2-CE1 4.29Å; I894-Y898 HydrophobicContact CG2-CE2 3.64Å; I894-Y898 HydrophobicContact CG2-CG 4.47Å; I894-Y898 PolarHBondContact O-N 3.42Å; I894-V905 HydrophobicContact CG1-CG1 3.66Å; I894-F996 HydrophobicContact CG1-CZ 4.48Å; I894-I1151 HydrophobicContact CD1-CG2 4.11Å |
| 895 | K | 94.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 29% | 0.291 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.2 | -50.1 | 177.6 | -178.6 | -179.9 | 177.1 | -174.2 | 0 | 111.1 | L870 E871 M874 K891 A892 A897 Y898 E899 | L870-K895 HydrophobicContact CD2-CG 4.47Å; E871-K895 WeakPolarHBondContact OE1-CE 3.39Å; E871-K895 IonicContact OE1-NZ 3.85Å; E871-K895 PolarHBondContact OE1-NZ 3.22Å; M874-K895 HydrophobicContact CE-CB 3.97Å; M874-K895 HydrophobicContact SD-CB 3.95Å; M874-K895 HydrophobicContact SD-CG 3.87Å; K891-K895 PolarHBondContact O-N 3.07Å; A892-K895 WeakPolarHBondContact O-CB 3.49Å; A892-K895 PolarHBondContact O-N 3.15Å; K895-A897 VanDerWaalsContact C-N 3.3Å; K895-A897 PolarHBondContact O-N 2.76Å; K895-Y898 PolarHBondContact O-N 3Å; K895-Y898 VanDerWaalsContact O-N 3.08Å; K895-E899 WeakPolarHBondContact CE-OE1 3.36Å; K895-E899 IonicContact NZ-OE1 3.66Å; K895-E899 WeakPolarHBondContact O-CG 3.48Å; K895-E899 PolarHBondContact O-N 2.74Å |
| 896 | K | 95 | Very high | 94.1 | Very high | 99 Ų | 99 | 39.2 Ų | 39.2 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 177.1 | -178.6 | -177.1 | 172.3 | -170 | 0 | 112.6 | A892 E893 I894 Y898 E899 T900 | A892-K896 PolarHBondContact O-N 2.98Å; E893-K896 PolarHBondContact O-N 3.26Å; E893-K896 IonicContact OE2-NZ 2.64Å; I894-K896 PolarHBondContact O-N 3.37Å; K896-Y898 VanDerWaalsContact C-N 3.34Å; K896-E899 PolarHBondContact O-N 2.87Å; K896-T900 PolarHBondContact O-N 2.81Å; K896-T900 PolarHBondContact O-OG1 3.45Å |
| 897 | A | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E893 I894 K895 E899 T900 G901 K902 F996 M998 | E893-A897 WeakPolarHBondContact O-CB 3.49Å; E893-A897 PolarHBondContact O-N 3.26Å; I894-A897 WeakPolarHBondContact O-CB 3.25Å; I894-A897 PolarHBondContact O-N 3.41Å; K895-A897 VanDerWaalsContact C-N 3.3Å; K895-A897 PolarHBondContact O-N 2.76Å; A897-E899 VanDerWaalsContact C-N 3.32Å; A897-E899 PolarHBondContact O-N 2.97Å; A897-T900 PolarHBondContact O-N 3.47Å; A897-G901 CarbonylContact O-C 3.51Å; A897-G901 WeakPolarHBondContact O-CA 3.31Å; A897-G901 PolarHBondContact O-N 3.1Å; A897-K902 WeakPolarHBondContact CA-O 3.3Å; A897-F996 HydrophobicContact CB-CB 3.81Å; A897-F996 HydrophobicContact CB-CD1 3.71Å; A897-F996 HydrophobicContact CB-CD2 3.88Å; A897-F996 HydrophobicContact CB-CE1 4.11Å; A897-F996 HydrophobicContact CB-CE2 4.28Å; A897-F996 HydrophobicContact CB-CG 3.56Å; A897-F996 HydrophobicContact CB-CZ 4.38Å; A897-M998 WeakPolarHBondContact O-CE 3.32Å |
| 898 | Y | 97.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -26.3 | 177.7 | -71 | -11.1 | 0 | 0 | 0 | 114.4 | H850 M874 G879 I894 K895 K896 F996 M998 G1010 L1011 | H850-Y898 PolarHBondContact CD2-OH 3.01Å; H850-Y898 AromaticContact NE2-CE1 3.65Å; H850-Y898 AromaticContact NE2-CZ 3.55Å; H850-Y898 PolarHBondContact NE2-OH 3.1Å; M874-Y898 HydrophobicContact CE-CD2 3.9Å; M874-Y898 HydrophobicContact CE-CE2 4.2Å; M874-Y898 HydrophobicContact CG-CD2 3.85Å; M874-Y898 HydrophobicContact CG-CE2 4.31Å; M874-Y898 HydrophobicContact SD-CD2 3.94Å; G879-Y898 WeakPolarHBondContact CA-OH 3.35Å; I894-Y898 HydrophobicContact CG2-CD2 4.01Å; I894-Y898 HydrophobicContact CG2-CE1 4.29Å; I894-Y898 HydrophobicContact CG2-CE2 3.64Å; I894-Y898 HydrophobicContact CG2-CG 4.47Å; I894-Y898 PolarHBondContact O-N 3.42Å; K895-Y898 PolarHBondContact O-N 3Å; K895-Y898 VanDerWaalsContact O-N 3.08Å; K896-Y898 VanDerWaalsContact C-N 3.34Å; Y898-F996 HydrophobicContact CE1-CE1 4.07Å; Y898-M998 HydrophobicContact CD1-CE 4.15Å; Y898-G1010 CarbonylContact O-C 3.59Å; Y898-G1010 WeakPolarHBondContact O-CA 3.4Å; Y898-L1011 HydrophobicContact CD1-CB 4.02Å; Y898-L1011 HydrophobicContact CD2-CB 4.26Å; Y898-L1011 HydrophobicContact CD2-CD2 3.62Å; Y898-L1011 HydrophobicContact CE2-CD2 3.76Å; Y898-L1011 HydrophobicContact CG-CB 3.8Å; Y898-L1011 HydrophobicContact CG-CD2 4.04Å; Y898-L1011 PolarHBondContact O-N 2.97Å |
| 899 | E | 95.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 39.2 Ų | 39.2 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.2 | -47.2 | 172 | -69.5 | 176.6 | 174.5 | 0 | 0 | 112 | L870 K895 K896 A897 | L870-E899 HydrophobicContact CD2-CB 4.14Å; L870-E899 HydrophobicContact CD2-CG 3.16Å; K895-E899 WeakPolarHBondContact CE-OE1 3.36Å; K895-E899 IonicContact NZ-OE1 3.66Å; K895-E899 WeakPolarHBondContact O-CG 3.48Å; K895-E899 PolarHBondContact O-N 2.74Å; K896-E899 PolarHBondContact O-N 2.87Å; A897-E899 VanDerWaalsContact C-N 3.32Å; A897-E899 PolarHBondContact O-N 2.97Å |
| 900 | T | 95 | Very high | 94.3 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -105.9 | -14.4 | -165.2 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | K896 A897 K902 Q1008 | K896-T900 PolarHBondContact O-N 2.81Å; K896-T900 PolarHBondContact O-OG1 3.45Å; A897-T900 PolarHBondContact O-N 3.47Å; T900-K902 VanDerWaalsContact C-N 3.27Å; T900-K902 PolarHBondContact OG1-N 3.01Å; T900-K902 PolarHBondContact OG1-O 3.03Å; T900-Q1008 PolarHBondContact O-NE2 2.92Å |
| 901 | G | 94.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 82.4 | -5.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A897 M998 V1009 | A897-G901 CarbonylContact O-C 3.51Å; A897-G901 WeakPolarHBondContact O-CA 3.31Å; A897-G901 PolarHBondContact O-N 3.1Å; G901-M998 PolarHBondContact O-N 2.97Å; G901-V1009 VanDerWaalsContact CA-O 3.3Å; G901-V1009 WeakPolarHBondContact CA-O 3.41Å |
| 902 | K | 93.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.3 | -178.2 | -83.2 | 177.4 | -179.3 | 162.2 | 0 | 112.4 | A897 T900 F996 N997 Q1008 | A897-K902 WeakPolarHBondContact CA-O 3.3Å; T900-K902 VanDerWaalsContact C-N 3.27Å; T900-K902 PolarHBondContact OG1-N 3.01Å; T900-K902 PolarHBondContact OG1-O 3.03Å; K902-F996 WeakPolarHBondContact CA-O 3.12Å; K902-N997 WeakPolarHBondContact CE-OD1 3.22Å; K902-Q1008 VanDerWaalsContact CD-NE2 3.33Å; K902-Q1008 VanDerWaalsContact CG-NE2 3.31Å |
| 903 | G | 92.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 169.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N995 F996 | G903-N995 CarbonylContact O-C 3.58Å; G903-F996 PolarHBondContact N-O 3.32Å; G903-F996 PolarHBondContact O-N 3.33Å |
| 904 | K | 92.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.5 | -176.7 | 178.1 | 178.5 | -175.6 | -169.1 | 0 | 109.9 | E893 N993 N995 | E893-K904 WeakPolarHBondContact CB-O 3.13Å; E893-K904 WeakPolarHBondContact CG-O 3.33Å; K904-N993 VanDerWaalsContact CE-CB 3.41Å; K904-N993 VanDerWaalsContact CE-OD1 3.27Å; K904-N993 WeakPolarHBondContact CE-OD1 3.43Å; K904-N993 PolarHBondContact NZ-ND2 2.7Å; K904-N995 WeakPolarHBondContact CG-OD1 3.24Å |
| 905 | V | 94 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 166.5 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | L888 E893 I894 N993 Y994 F996 | L888-V905 HydrophobicContact CD1-CB 4.05Å; L888-V905 HydrophobicContact CD1-CG2 3.45Å; L888-V905 VanDerWaalsContact CD1-CG2 3.45Å; L888-V905 HydrophobicContact CG-CG2 4.3Å; E893-V905 HydrophobicContact CB-CG1 3.98Å; I894-V905 HydrophobicContact CG1-CG1 3.66Å; V905-N993 WeakPolarHBondContact O-CA 3.32Å; V905-Y994 HydrophobicContact CG2-CD1 4.38Å; V905-Y994 PolarHBondContact N-O 2.77Å; V905-Y994 PolarHBondContact O-N 2.82Å; V905-F996 HydrophobicContact CB-CE2 4.26Å; V905-F996 HydrophobicContact CG1-CD2 4.48Å; V905-F996 HydrophobicContact CG1-CE2 3.7Å; V905-F996 HydrophobicContact CG2-CD2 4.28Å; V905-F996 HydrophobicContact CG2-CE2 3.55Å; V905-F996 HydrophobicContact CG2-CZ 4.47Å |
| 906 | I | 94.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.1 | 175.8 | -62.8 | -169.6 | 0 | 0 | 0 | 108.7 | L888 Q889 Q991 I992 I1155 | L888-I906 CarbonylContact C-O 3.58Å; L888-I906 WeakPolarHBondContact CA-O 3.31Å; Q889-I906 HydrophobicContact CB-CB 4.3Å; Q889-I906 PolarHBondContact N-O 3.16Å; Q889-I906 PolarHBondContact O-N 3.07Å; Q889-I906 VanDerWaalsContact O-N 3.16Å; I906-Q991 HydrophobicContact CG2-CG 3.26Å; I906-I992 WeakPolarHBondContact CA-O 3.18Å; I906-I1155 HydrophobicContact CD1-CB 4.45Å; I906-I1155 HydrophobicContact CD1-CD1 4.28Å; I906-I1155 HydrophobicContact CD1-CG1 4.23Å; I906-I1155 HydrophobicContact CD1-CG2 3.45Å; I906-I1155 VanDerWaalsContact CD1-CG2 3.45Å; I906-I1155 HydrophobicContact CG1-CD1 4.36Å; I906-I1155 HydrophobicContact CG1-CG1 4.42Å; I906-I1155 HydrophobicContact CG1-CG2 4.48Å |
| 907 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.1 | 172.6 | -177.4 | 61.2 | 0 | 0 | 0 | 108.8 | F882 L888 P929 Y930 Q991 I992 | F882-L907 HydrophobicContact CD2-CD1 3.87Å; F882-L907 HydrophobicContact CD2-CD2 3.77Å; F882-L907 HydrophobicContact CD2-CG 4.49Å; F882-L907 HydrophobicContact CE2-CD1 4.05Å; F882-L907 HydrophobicContact CE2-CD2 3.82Å; F882-L907 HydrophobicContact CE2-CG 4.48Å; F882-L907 HydrophobicContact CG-CD2 4.24Å; F882-L907 HydrophobicContact CZ-CD2 4.31Å; L888-L907 HydrophobicContact CB-CD1 4.49Å; L888-L907 HydrophobicContact CD1-CB 4.2Å; L888-L907 HydrophobicContact CD1-CD1 4.14Å; L907-P929 HydrophobicContact CB-CB 4.39Å; L907-P929 HydrophobicContact CD2-CB 3.84Å; L907-P929 HydrophobicContact CG-CB 3.82Å; L907-Y930 VanDerWaalsContact CD2-N 3.26Å; L907-Q991 WeakPolarHBondContact O-CA 3.25Å; L907-I992 HydrophobicContact CB-CG1 4.06Å; L907-I992 PolarHBondContact N-O 2.75Å; L907-I992 PolarHBondContact O-N 2.83Å |
| 908 | R | 95.5 | Very high | 93.9 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.8 | -176 | -176.1 | -171.1 | -73.2 | 169 | 4.8 | 110.8 | G886 I887 Q889 F985 L990 Q991 S1156 | G886-R908 CarbonylContact C-O 3.57Å; G886-R908 WeakPolarHBondContact CA-O 3.42Å; I887-R908 HydrophobicContact CB-CB 4.34Å; I887-R908 PolarHBondContact N-O 2.89Å; I887-R908 PolarHBondContact O-N 2.9Å; Q889-R908 VanDerWaalsContact NE2-CZ 3.28Å; Q889-R908 VanDerWaalsContact NE2-NH1 3.12Å; Q889-R908 VanDerWaalsContact OE1-NH2 3.09Å; R908-F985 HydrophobicContact CG-CD1 3.86Å; R908-F985 HydrophobicContact CG-CE1 3.42Å; R908-F985 VanDerWaalsContact CG-CE1 3.42Å; R908-F985 HydrophobicContact CG-CZ 3.83Å; R908-L990 CarbonylContact C-O 3.56Å; R908-L990 WeakPolarHBondContact CA-O 3.41Å; R908-Q991 HydrophobicContact CB-CB 4.49Å; R908-Q991 HydrophobicContact CB-CG 4.16Å; R908-Q991 HydrophobicContact CG-CB 4.38Å; R908-Q991 HydrophobicContact CG-CG 4.42Å; R908-Q991 VanDerWaalsContact CZ-OE1 3.27Å; R908-S1156 PolarHBondContact NH1-OG 3.47Å; R908-S1156 VanDerWaalsContact NH1-OG 3.16Å; R908-S1156 PolarHBondContact NH2-OG 2.73Å |
| 909 | S | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -58.9 | 145.8 | 168.1 | -86.8 | 0 | 0 | 0 | 0 | 112.4 | E927 P929 L990 | S909-E927 VanDerWaalsContact CA-O 3.28Å; S909-E927 WeakPolarHBondContact CA-O 3.49Å; S909-E927 WeakPolarHBondContact CB-O 3.4Å; S909-E927 PolarHBondContact OG-O 3.19Å; S909-P929 WeakPolarHBondContact OG-CD 3.18Å; S909-L990 WeakPolarHBondContact CB-O 3.4Å; S909-L990 PolarHBondContact N-O 3.13Å; S909-L990 VanDerWaalsContact OG-CD2 3.3Å; S909-L990 WeakPolarHBondContact OG-CD2 3.4Å; S909-L990 PolarHBondContact OG-O 2.88Å | ||
| 910 | K | 96.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | trans | -85.5 | 120.8 | 166.8 | -168.6 | 178.9 | -177.9 | 174.3 | 0 | 109.6 | H926 E927 | K910-H926 PolarHBondContact O-N 2.83Å; K910-E927 HydrophobicContact CB-CB 3.85Å; K910-E927 HydrophobicContact CB-CG 4.11Å; K910-E927 VanDerWaalsContact CD-CD 3.42Å; K910-E927 HydrophobicContact CD-CG 4.28Å; K910-E927 WeakPolarHBondContact CD-OE1 3.45Å; K910-E927 PolarHBondContact N-O 3.08Å; K910-E927 IonicContact NZ-OE1 2.71Å; K910-E927 PolarHBondContact NZ-OE1 3.4Å; K910-E927 PolarHBondContact O-N 2.89Å | ||
| 911 | T | 96.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156.4 | -175.6 | 64 | 0 | 0 | 0 | 0 | 111.9 | V924 I925 L981 F985 | T911-V924 CarbonylContact C-O 3.56Å; T911-V924 WeakPolarHBondContact CA-O 3.44Å; T911-I925 HydrophobicContact CG2-CB 4.31Å; T911-I925 HydrophobicContact CG2-CG1 3.78Å; T911-I925 HydrophobicContact CG2-CG2 4.4Å; T911-L981 HydrophobicContact CG2-CD1 4.18Å; T911-F985 HydrophobicContact CG2-CE1 4.22Å; T911-F985 HydrophobicContact CG2-CZ 4.07Å |
| 912 | S | 96.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 57.4 Ų | 57.4 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151 | 169.7 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | E914 I923 V924 H926 | S912-E914 PolarHBondContact OG-OE1 3.32Å; S912-I923 WeakPolarHBondContact O-CA 3.47Å; S912-V924 PolarHBondContact N-O 2.68Å; S912-V924 PolarHBondContact O-N 2.82Å; S912-H926 PolarHBondContact OG-NE2 3.39Å |
| 913 | I | 96.3 | Very high | 93.1 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 35% | 0.349 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.8 | 169.4 | -60.7 | 172.2 | 0 | 0 | 0 | 107.4 | Q921 Q922 I923 A977 L981 | I913-Q921 HydrophobicContact CG2-CB 4.43Å; I913-Q922 WeakPolarHBondContact CA-O 3.32Å; I913-I923 HydrophobicContact CG1-CG1 4.38Å; I913-A977 HydrophobicContact CD1-CB 3.96Å; I913-A977 HydrophobicContact CG1-CB 4.48Å; I913-A977 HydrophobicContact CG2-CB 3.8Å; I913-L981 HydrophobicContact CD1-CD2 4.33Å; I913-L981 HydrophobicContact CG1-CD2 4.43Å |
| 914 | E | 95.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140 | -174.3 | -67.8 | 174.8 | -165 | 0 | 0 | 111.3 | S912 Q921 Q922 V924 | S912-E914 PolarHBondContact OG-OE1 3.32Å; E914-Q921 CarbonylContact O-C 2.99Å; E914-Q921 WeakPolarHBondContact O-CA 3.36Å; E914-Q922 HydrophobicContact CB-CG 4.03Å; E914-Q922 PolarHBondContact N-O 2.97Å; E914-Q922 PolarHBondContact O-N 3.27Å; E914-Q922 PolarHBondContact OE2-NE2 2.62Å; E914-V924 HydrophobicContact CG-CG2 4.3Å |
| 915 | P | 93.2 | Very high | 93.5 | Very high | 113 Ų | 113 | 47.9 Ų | 47.9 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140 | 175.5 | 30.6 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 916 | L | 89.2 | Confident | 93.6 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 163.2 | 175.9 | -151.6 | 102.3 | 0 | 0 | 0 | 110.6 | K920 Q922 | L916-K920 WeakPolarHBondContact CA-O 3.35Å; L916-K920 HydrophobicContact CB-CB 3.96Å; L916-K920 HydrophobicContact CD2-CB 4.3Å; L916-K920 HydrophobicContact CD2-CD 4.26Å; L916-K920 PolarHBondContact N-O 2.74Å; L916-Q922 HydrophobicContact CD1-CG 4.19Å |
| 917 | K | 85.7 | Confident | 93.7 | Very high | 195 Ų | 195 | 52.3 Ų | 52.3 | 85% | 0.848 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 141.7 | 179.1 | -70.5 | -177.9 | -179.6 | 175.3 | 0 | 111.4 | ||
| 918 | G | 83.6 | Confident | 93.7 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 17.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K920 | G918-K920 VanDerWaalsContact C-N 3.3Š|
| 919 | G | 82.9 | Confident | 93.7 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 14.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 920 | K | 89.2 | Confident | 93.6 | Very high | 69 Ų | 69 | 51.5 Ų | 51.5 | 30% | 0.3 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 163.2 | 170.5 | -74.4 | -179.1 | 169.4 | -170 | 0 | 110.3 | L916 G918 E970 | L916-K920 WeakPolarHBondContact CA-O 3.35Å; L916-K920 HydrophobicContact CB-CB 3.96Å; L916-K920 HydrophobicContact CD2-CB 4.3Å; L916-K920 HydrophobicContact CD2-CD 4.26Å; L916-K920 PolarHBondContact N-O 2.74Å; G918-K920 VanDerWaalsContact C-N 3.3Å; K920-E970 IonicContact NZ-OE1 2.73Å; K920-E970 PolarHBondContact NZ-OE1 3.23Å |
| 921 | Q | 94.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 162.8 | 171.1 | -67.6 | -178.8 | -50.9 | 0 | 0 | 109.5 | I913 E914 L971 | I913-Q921 HydrophobicContact CG2-CB 4.43Å; E914-Q921 CarbonylContact O-C 2.99Å; E914-Q921 WeakPolarHBondContact O-CA 3.36Å; Q921-L971 HydrophobicContact CB-CD1 4.27Å; Q921-L971 VanDerWaalsContact O-CB 3.26Å; Q921-L971 WeakPolarHBondContact O-CB 3.25Å; Q921-L971 PolarHBondContact O-N 2.72Å |
| 922 | Q | 96 | Very high | 93.3 | Very high | 26 Ų | 26 | 50 Ų | 50 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.2 | 171.6 | 64.8 | -177.7 | 5.5 | 0 | 0 | 110 | I913 E914 L916 V924 V968 V969 | I913-Q922 WeakPolarHBondContact CA-O 3.32Å; E914-Q922 HydrophobicContact CB-CG 4.03Å; E914-Q922 PolarHBondContact N-O 2.97Å; E914-Q922 PolarHBondContact O-N 3.27Å; E914-Q922 PolarHBondContact OE2-NE2 2.62Å; L916-Q922 HydrophobicContact CD1-CG 4.19Å; Q922-V924 HydrophobicContact CG-CG2 4.06Å; Q922-V968 HydrophobicContact CB-CG1 4.16Å; Q922-V968 HydrophobicContact CG-CG1 4.45Å; Q922-V968 VanDerWaalsContact OE1-CG1 3.29Å; Q922-V969 CarbonylContact C-O 3.41Å; Q922-V969 VanDerWaalsContact CA-O 3.31Å; Q922-V969 WeakPolarHBondContact CA-O 3.17Å |
| 923 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.3 | 169.6 | -59.1 | 164 | 0 | 0 | 0 | 106.8 | S912 I913 V969 L971 I980 L981 L984 | S912-I923 WeakPolarHBondContact O-CA 3.47Å; I913-I923 HydrophobicContact CG1-CG1 4.38Å; I923-V969 HydrophobicContact CB-CB 4.2Å; I923-V969 PolarHBondContact N-O 3.48Å; I923-V969 PolarHBondContact O-N 3.38Å; I923-L971 HydrophobicContact CD1-CD1 4.34Å; I923-L971 HydrophobicContact CD1-CD2 4.17Å; I923-L971 HydrophobicContact CG1-CD1 4.2Å; I923-I980 HydrophobicContact CD1-CB 4.39Å; I923-I980 HydrophobicContact CD1-CG2 3.97Å; I923-L981 HydrophobicContact CD1-CB 3.89Å; I923-L981 HydrophobicContact CG2-CD1 3.88Å; I923-L984 HydrophobicContact CD1-CD1 4.39Å |
| 924 | V | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.5 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | T911 S912 E914 Q922 H926 Q966 | T911-V924 CarbonylContact C-O 3.56Å; T911-V924 WeakPolarHBondContact CA-O 3.44Å; S912-V924 PolarHBondContact N-O 2.68Å; S912-V924 PolarHBondContact O-N 2.82Å; E914-V924 HydrophobicContact CG-CG2 4.3Å; Q922-V924 HydrophobicContact CG-CG2 4.06Å; V924-H926 VanDerWaalsContact CG1-CE1 3.48Å; V924-H926 WeakPolarHBondContact CG1-CE1 3.32Å; V924-Q966 HydrophobicContact CG1-CG 3.84Å |
| 925 | I | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117 | 177.5 | -59 | 127.4 | 0 | 0 | 0 | 107.8 | T911 I928 M941 Q966 V967 V969 L990 | T911-I925 HydrophobicContact CG2-CB 4.31Å; T911-I925 HydrophobicContact CG2-CG1 3.78Å; T911-I925 HydrophobicContact CG2-CG2 4.4Å; I925-I928 HydrophobicContact CG2-CG2 4.15Å; I925-M941 HydrophobicContact CD1-CE 4.28Å; I925-M941 HydrophobicContact CD1-SD 4.25Å; I925-Q966 WeakPolarHBondContact O-CA 3.28Å; I925-V967 HydrophobicContact CB-CB 4.17Å; I925-V967 HydrophobicContact CD1-CB 3.99Å; I925-V967 HydrophobicContact CD1-CG1 3.95Å; I925-V967 PolarHBondContact N-O 2.93Å; I925-V967 PolarHBondContact O-N 3.49Å; I925-V969 HydrophobicContact CD1-CG2 4.11Å; I925-L990 HydrophobicContact CB-CD2 4.44Å; I925-L990 HydrophobicContact CD1-CD1 4.37Å; I925-L990 HydrophobicContact CD1-CD2 4.08Å; I925-L990 HydrophobicContact CG1-CD1 4.41Å; I925-L990 HydrophobicContact CG1-CD2 3.85Å; I925-L990 HydrophobicContact CG2-CD2 3.75Å |
| 926 | H | 96.1 | Very high | 93.3 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | trans | -97.4 | -29.5 | -175.8 | -60 | -76.3 | 0 | 0 | 0 | 112.7 | K910 S912 V924 | K910-H926 PolarHBondContact O-N 2.83Å; S912-H926 PolarHBondContact OG-NE2 3.39Å; V924-H926 VanDerWaalsContact CG1-CE1 3.48Å; V924-H926 WeakPolarHBondContact CG1-CE1 3.32Å | ||
| 927 | E | 96.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | trans | -138.1 | 143.1 | -177.8 | -64.5 | 166.3 | -157.1 | 0 | 0 | 109.1 | G886 S909 K910 | G886-E927 WeakPolarHBondContact CA-OE2 3.43Å; G886-E927 PolarHBondContact N-OE2 3.16Å; S909-E927 VanDerWaalsContact CA-O 3.28Å; S909-E927 WeakPolarHBondContact CA-O 3.49Å; S909-E927 WeakPolarHBondContact CB-O 3.4Å; S909-E927 PolarHBondContact OG-O 3.19Å; K910-E927 HydrophobicContact CB-CB 3.85Å; K910-E927 HydrophobicContact CB-CG 4.11Å; K910-E927 VanDerWaalsContact CD-CD 3.42Å; K910-E927 HydrophobicContact CD-CG 4.28Å; K910-E927 WeakPolarHBondContact CD-OE1 3.45Å; K910-E927 PolarHBondContact N-O 3.08Å; K910-E927 IonicContact NZ-OE1 2.71Å; K910-E927 PolarHBondContact NZ-OE1 3.4Å; K910-E927 PolarHBondContact O-N 2.89Å | ||
| 928 | I | 95.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | trans | -114.4 | 151.7 | 175.6 | 65.1 | 175 | 0 | 0 | 0 | 110.6 | T884 I925 K934 L937 L965 | T884-I928 WeakPolarHBondContact CB-O 3.37Å; T884-I928 PolarHBondContact OG1-O 3.05Å; I925-I928 HydrophobicContact CG2-CG2 4.15Å; I928-K934 HydrophobicContact CD1-CB 3.87Å; I928-K934 HydrophobicContact CD1-CG 4.42Å; I928-L937 HydrophobicContact CG2-CD2 3.95Å; I928-L965 HydrophobicContact CB-CD1 4.3Å; I928-L965 HydrophobicContact CD1-CD1 3.76Å; I928-L965 HydrophobicContact CG1-CD1 3.66Å; I928-L965 HydrophobicContact CG2-CD1 3.86Å; I928-L965 HydrophobicContact CG2-CD2 3.96Å | ||
| 929 | P | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -60.2 | 149.5 | 178 | -24.7 | 37.6 | 0 | 0 | 0 | 112.2 | L907 S909 V932 D989 I992 | L907-P929 HydrophobicContact CB-CB 4.39Å; L907-P929 HydrophobicContact CD2-CB 3.84Å; L907-P929 HydrophobicContact CG-CB 3.82Å; S909-P929 WeakPolarHBondContact OG-CD 3.18Å; P929-V932 HydrophobicContact CB-CG2 3.81Å; P929-V932 HydrophobicContact CG-CG2 4.37Å; P929-V932 WeakPolarHBondContact O-CB 3.41Å; P929-V932 WeakPolarHBondContact O-CG2 3.33Å; P929-V932 PolarHBondContact O-N 2.82Å; P929-D989 WeakPolarHBondContact CD-O 3.49Å; P929-D989 VanDerWaalsContact CG-O 3.32Å; P929-D989 WeakPolarHBondContact CG-O 3.04Å; P929-I992 HydrophobicContact CB-CD1 3.71Å; P929-I992 HydrophobicContact CB-CG1 3.7Å; P929-I992 HydrophobicContact CB-CG2 4.39Å; P929-I992 HydrophobicContact CG-CG1 4.38Å | ||
| 930 | Y | 95.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 142.2 | -179.9 | -178.3 | -116.2 | 0 | 0 | 0 | 112 | K762 F882 P883 T884 L907 V932 Y994 | K762-Y930 WeakPolarHBondContact O-CE2 3.31Å; K762-Y930 PolarHBondContact O-OH 2.87Å; F882-Y930 HydrophobicContact CB-CD2 4.39Å; F882-Y930 HydrophobicContact CB-CG 4.3Å; F882-Y930 AromaticContact CD1-CD1 3.53Å; F882-Y930 HydrophobicContact CD1-CD1 3.53Å; F882-Y930 HydrophobicContact CD1-CD2 4.06Å; F882-Y930 HydrophobicContact CD1-CE1 4.23Å; F882-Y930 AromaticContact CD1-CG 3.43Å; F882-Y930 HydrophobicContact CD1-CG 3.43Å; F882-Y930 VanDerWaalsContact CD1-CG 3.43Å; F882-Y930 AromaticContact CE1-CD1 3.7Å; F882-Y930 HydrophobicContact CE1-CD1 3.7Å; F882-Y930 HydrophobicContact CE1-CE1 4.38Å; F882-Y930 HydrophobicContact CE1-CG 4.05Å; F882-Y930 HydrophobicContact CG-CG 4.12Å; P883-Y930 HydrophobicContact CG-CD2 3.79Å; P883-Y930 HydrophobicContact CG-CE2 3.54Å; T884-Y930 WeakPolarHBondContact OG1-CA 3.25Å; T884-Y930 PolarHBondContact OG1-N 3.38Å; L907-Y930 VanDerWaalsContact CD2-N 3.26Å; Y930-V932 PolarHBondContact O-N 3.34Å; Y930-Y994 AromaticContact CD1-CE2 3.98Å; Y930-Y994 HydrophobicContact CD1-CE2 3.98Å |
| 931 | E | 91.7 | Very high | 95.5 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -0.7 | -177.2 | -67.9 | -85 | 174 | 0 | 0 | 116.2 | R756 K762 | R756-E931 IonicContact CZ-OE1 3.52Å; R756-E931 IonicContact NH1-OE1 2.74Å; R756-E931 PolarHBondContact NH1-OE1 2.84Å; R756-E931 IonicContact NH2-OE1 3.84Å; R756-E931 PolarHBondContact NH2-OE1 2.82Å; K762-E931 WeakPolarHBondContact CD-OE1 3.31Å; K762-E931 VanDerWaalsContact NZ-CD 3.35Å; K762-E931 IonicContact NZ-OE1 3.54Å; K762-E931 IonicContact NZ-OE2 2.62Å; K762-E931 PolarHBondContact NZ-OE2 2.9Å |
| 932 | V | 94.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | trans | -72.2 | 134.1 | 175 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | P929 Y930 K934 L937 D989 I992 | P929-V932 HydrophobicContact CB-CG2 3.81Å; P929-V932 HydrophobicContact CG-CG2 4.37Å; P929-V932 WeakPolarHBondContact O-CB 3.41Å; P929-V932 WeakPolarHBondContact O-CG2 3.33Å; P929-V932 PolarHBondContact O-N 2.82Å; Y930-V932 PolarHBondContact O-N 3.34Å; V932-K934 PolarHBondContact O-N 2.82Å; V932-L937 HydrophobicContact CG1-CB 4.22Å; V932-L937 HydrophobicContact CG1-CD2 4.28Å; V932-D989 HydrophobicContact CG1-CB 3.77Å; V932-D989 HydrophobicContact CG2-CB 4.15Å; V932-I992 HydrophobicContact CG2-CD1 4.13Å; V932-I992 HydrophobicContact CG2-CG2 3.9Å | ||
| 933 | N | 94.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | trans | -79.1 | 117.8 | 172.5 | -179.9 | -52.9 | 0 | 0 | 0 | 110.3 | M777 D778 G779 A935 V936 L937 | M777-N933 WeakPolarHBondContact O-CA 3.37Å; D778-N933 PolarHBondContact O-ND2 3.3Å; D778-N933 PolarHBondContact O-OD1 2.9Å; G779-N933 WeakPolarHBondContact CA-ND2 3.45Å; G779-N933 PolarHBondContact N-ND2 3.19Å; N933-A935 PolarHBondContact OD1-N 3.16Å; N933-V936 HydrophobicContact CB-CB 4.08Å; N933-V936 HydrophobicContact CB-CG2 4.05Å; N933-V936 PolarHBondContact O-N 3.5Å; N933-V936 WeakPolarHBondContact OD1-CG2 3.46Å; N933-V936 PolarHBondContact OD1-N 2.76Å; N933-L937 WeakPolarHBondContact O-CB 3.46Å; N933-L937 PolarHBondContact O-N 3.02Å | ||
| 934 | K | 95.1 | Very high | 95 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | -176 | -176.3 | -173.5 | 59.5 | 153.7 | 0 | 112.4 | M777 D778 I928 V932 V936 L937 V938 D958 S960 L965 V967 | M777-K934 HydrophobicContact CG-CB 4.2Å; M777-K934 HydrophobicContact CG-CD 4.45Å; M777-K934 PolarHBondContact O-N 2.84Å; M777-K934 VanDerWaalsContact O-N 3.1Å; M777-K934 HydrophobicContact SD-CB 4.44Å; M777-K934 HydrophobicContact SD-CD 3.95Å; D778-K934 WeakPolarHBondContact OD1-CB 3.26Å; D778-K934 WeakPolarHBondContact OD1-CE 3.42Å; D778-K934 IonicContact OD1-NZ 2.67Å; D778-K934 WeakPolarHBondContact OD2-CE 3.29Å; D778-K934 IonicContact OD2-NZ 3.75Å; D778-K934 PolarHBondContact OD2-NZ 3.36Å; I928-K934 HydrophobicContact CD1-CB 3.87Å; I928-K934 HydrophobicContact CD1-CG 4.42Å; V932-K934 PolarHBondContact O-N 2.82Å; K934-V936 VanDerWaalsContact C-N 3.33Å; K934-V936 PolarHBondContact O-N 3.12Å; K934-L937 WeakPolarHBondContact O-CB 3.08Å; K934-L937 PolarHBondContact O-N 2.83Å; K934-L937 VanDerWaalsContact O-N 3.15Å; K934-V938 HydrophobicContact CG-CG2 4.42Å; K934-V938 WeakPolarHBondContact O-CG2 3.39Å; K934-V938 PolarHBondContact O-N 3.43Å; K934-D958 WeakPolarHBondContact CE-OD2 3.24Å; K934-D958 IonicContact NZ-OD1 3.47Å; K934-D958 PolarHBondContact NZ-OD1 3.3Å; K934-D958 IonicContact NZ-OD2 2.8Å; K934-D958 PolarHBondContact NZ-OD2 3.46Å; K934-S960 PolarHBondContact NZ-OG 2.8Å; K934-L965 HydrophobicContact CD-CD1 4.14Å; K934-L965 HydrophobicContact CD-CG 4.36Å; K934-V967 HydrophobicContact CD-CG2 4.3Å; K934-V967 HydrophobicContact CG-CG2 4.34Å |
| 935 | A | 94.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 37% | 0.372 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D778 N933 K939 | D778-A935 HydrophobicContact CB-CB 3.97Å; D778-A935 PolarHBondContact OD1-N 2.93Å; N933-A935 PolarHBondContact OD1-N 3.16Å; A935-K939 VanDerWaalsContact O-CB 3.3Å; A935-K939 WeakPolarHBondContact O-CB 3.34Å; A935-K939 PolarHBondContact O-N 3.33Å |
| 936 | V | 96 | Very high | 94.3 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 176 | 175.2 | 0 | 0 | 0 | 0 | 111 | N933 K934 K939 K940 | N933-V936 HydrophobicContact CB-CB 4.08Å; N933-V936 HydrophobicContact CB-CG2 4.05Å; N933-V936 PolarHBondContact O-N 3.5Å; N933-V936 WeakPolarHBondContact OD1-CG2 3.46Å; N933-V936 PolarHBondContact OD1-N 2.76Å; K934-V936 VanDerWaalsContact C-N 3.33Å; K934-V936 PolarHBondContact O-N 3.12Å; V936-K939 PolarHBondContact O-N 3.34Å; V936-K940 WeakPolarHBondContact O-CB 3.48Å; V936-K940 PolarHBondContact O-N 3.09Å |
| 937 | L | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.9 | 172.9 | 61.8 | 0 | 0 | 0 | 111.7 | I928 V932 N933 K934 K939 K940 M941 D989 L990 | I928-L937 HydrophobicContact CG2-CD2 3.95Å; V932-L937 HydrophobicContact CG1-CB 4.22Å; V932-L937 HydrophobicContact CG1-CD2 4.28Å; N933-L937 WeakPolarHBondContact O-CB 3.46Å; N933-L937 PolarHBondContact O-N 3.02Å; K934-L937 WeakPolarHBondContact O-CB 3.08Å; K934-L937 PolarHBondContact O-N 2.83Å; K934-L937 VanDerWaalsContact O-N 3.15Å; L937-K939 VanDerWaalsContact C-N 3.35Å; L937-K939 PolarHBondContact O-N 3.01Å; L937-K940 PolarHBondContact O-N 3.48Å; L937-M941 HydrophobicContact CG-CE 4.1Å; L937-M941 PolarHBondContact O-N 3.25Å; L937-D989 HydrophobicContact CD1-CB 4.1Å; L937-L990 HydrophobicContact CD1-CD2 4.46Å; L937-L990 HydrophobicContact CD1-CG 4.19Å; L937-L990 HydrophobicContact CD2-CD2 3.89Å; L937-L990 HydrophobicContact CD2-CG 4.49Å |
| 938 | V | 96.1 | Very high | 93 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | K934 K940 M941 D942 V956 D958 V967 | K934-V938 HydrophobicContact CG-CG2 4.42Å; K934-V938 WeakPolarHBondContact O-CG2 3.39Å; K934-V938 PolarHBondContact O-N 3.43Å; V938-K940 VanDerWaalsContact C-N 3.34Å; V938-K940 PolarHBondContact O-N 2.7Å; V938-M941 HydrophobicContact CG2-CE 4.33Å; V938-M941 PolarHBondContact O-N 3.43Å; V938-D942 PolarHBondContact O-N 3.46Å; V938-V956 HydrophobicContact CG1-CG1 4.12Å; V938-D958 HydrophobicContact CG2-CB 4.44Å; V938-V967 HydrophobicContact CG2-CG1 3.91Å; V938-V967 HydrophobicContact CG2-CG2 4.07Å |
| 939 | K | 94.9 | Very high | 92.1 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 176.3 | -176.5 | -176.8 | 175.7 | -170.1 | 0 | 112.2 | A935 V936 L937 M941 D942 E943 | A935-K939 VanDerWaalsContact O-CB 3.3Å; A935-K939 WeakPolarHBondContact O-CB 3.34Å; A935-K939 PolarHBondContact O-N 3.33Å; V936-K939 PolarHBondContact O-N 3.34Å; L937-K939 VanDerWaalsContact C-N 3.35Å; L937-K939 PolarHBondContact O-N 3.01Å; K939-M941 VanDerWaalsContact C-N 3.35Å; K939-M941 PolarHBondContact O-N 3.43Å; K939-D942 PolarHBondContact O-N 2.89Å; K939-E943 VanDerWaalsContact CE-OE1 3.23Å; K939-E943 WeakPolarHBondContact CE-OE1 3.17Å; K939-E943 WeakPolarHBondContact O-CG 3.09Å; K939-E943 PolarHBondContact O-N 2.89Å |
| 940 | K | 94.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 30% | 0.296 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 178.8 | -169.3 | 174.1 | -179.9 | -178.4 | 0 | 111.8 | V936 L937 V938 I944 N987 T988 D989 | V936-K940 WeakPolarHBondContact O-CB 3.48Å; V936-K940 PolarHBondContact O-N 3.09Å; L937-K940 PolarHBondContact O-N 3.48Å; V938-K940 VanDerWaalsContact C-N 3.34Å; V938-K940 PolarHBondContact O-N 2.7Å; K940-I944 WeakPolarHBondContact O-CG1 3.3Å; K940-I944 PolarHBondContact O-N 2.98Å; K940-I944 VanDerWaalsContact O-N 3.11Å; K940-N987 WeakPolarHBondContact CE-O 3.37Å; K940-T988 HydrophobicContact CG-CG2 4.42Å; K940-D989 IonicContact NZ-OD1 3.8Å; K940-D989 PolarHBondContact NZ-OD1 3.25Å |
| 941 | M | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 172.3 | -69.7 | -172.6 | -68.6 | 0 | 0 | 112 | I925 L937 V938 K939 I944 R945 V956 V967 V969 L984 T988 L990 | I925-M941 HydrophobicContact CD1-CE 4.28Å; I925-M941 HydrophobicContact CD1-SD 4.25Å; L937-M941 HydrophobicContact CG-CE 4.1Å; L937-M941 PolarHBondContact O-N 3.25Å; V938-M941 HydrophobicContact CG2-CE 4.33Å; V938-M941 PolarHBondContact O-N 3.43Å; K939-M941 VanDerWaalsContact C-N 3.35Å; K939-M941 PolarHBondContact O-N 3.43Å; M941-I944 WeakPolarHBondContact O-CB 3.38Å; M941-I944 PolarHBondContact O-N 2.78Å; M941-R945 PolarHBondContact O-N 3.44Å; M941-V956 HydrophobicContact CB-CG1 4.07Å; M941-V956 HydrophobicContact CB-CG2 4.1Å; M941-V956 HydrophobicContact CE-CG1 4.09Å; M941-V967 HydrophobicContact CE-CG1 3.77Å; M941-V969 HydrophobicContact SD-CG2 4.1Å; M941-L984 HydrophobicContact CG-CD2 4.13Å; M941-L984 HydrophobicContact SD-CD1 4.35Å; M941-T988 HydrophobicContact CG-CG2 3.91Å; M941-L990 HydrophobicContact SD-CD1 4.16Å |
| 942 | D | 93.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177.1 | -165 | 42.2 | 0 | 0 | 0 | 112.3 | V938 K939 I944 R945 L946 | V938-D942 PolarHBondContact O-N 3.46Å; K939-D942 PolarHBondContact O-N 2.89Å; D942-I944 VanDerWaalsContact C-N 3.34Å; D942-I944 PolarHBondContact O-N 3.1Å; D942-R945 WeakPolarHBondContact O-CB 3.36Å; D942-R945 PolarHBondContact O-N 3.5Å; D942-R945 IonicContact OD1-CZ 3.13Å; D942-R945 IonicContact OD1-NE 3.47Å; D942-R945 PolarHBondContact OD1-NE 2.87Å; D942-R945 IonicContact OD1-NH2 2.67Å; D942-R945 PolarHBondContact OD1-NH2 3.04Å; D942-R945 IonicContact OD2-NH2 2.6Å; D942-L946 WeakPolarHBondContact O-CB 3.47Å; D942-L946 WeakPolarHBondContact O-CG 3.4Å; D942-L946 PolarHBondContact O-N 3.2Å |
| 943 | E | 92.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 56 Ų | 56 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 171.8 | -75.6 | 175.7 | -174.6 | 0 | 0 | 112 | K939 R945 L946 S947 | K939-E943 VanDerWaalsContact CE-OE1 3.23Å; K939-E943 WeakPolarHBondContact CE-OE1 3.17Å; K939-E943 WeakPolarHBondContact O-CG 3.09Å; K939-E943 PolarHBondContact O-N 2.89Å; E943-R945 VanDerWaalsContact C-N 3.33Å; E943-L946 PolarHBondContact O-N 3.06Å; E943-S947 VanDerWaalsContact O-CB 3.26Å; E943-S947 WeakPolarHBondContact O-CB 3.13Å; E943-S947 PolarHBondContact O-N 2.96Å; E943-S947 PolarHBondContact O-OG 3.44Å |
| 944 | I | 91.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 173.2 | -73.3 | 166.3 | 0 | 0 | 0 | 110.6 | K940 M941 D942 S947 K948 K949 I950 I953 Y983 L984 N987 T988 | K940-I944 WeakPolarHBondContact O-CG1 3.3Å; K940-I944 PolarHBondContact O-N 2.98Å; K940-I944 VanDerWaalsContact O-N 3.11Å; M941-I944 WeakPolarHBondContact O-CB 3.38Å; M941-I944 PolarHBondContact O-N 2.78Å; D942-I944 VanDerWaalsContact C-N 3.34Å; D942-I944 PolarHBondContact O-N 3.1Å; I944-S947 PolarHBondContact O-OG 3.3Å; I944-K948 PolarHBondContact O-N 3.07Å; I944-K949 PolarHBondContact O-N 3.09Å; I944-I950 HydrophobicContact CG2-CG2 3.61Å; I944-I953 HydrophobicContact CG2-CD1 4.39Å; I944-Y983 HydrophobicContact CD1-CE1 4.19Å; I944-Y983 HydrophobicContact CG1-CE1 4.44Å; I944-Y983 HydrophobicContact CG2-CD1 4.27Å; I944-Y983 HydrophobicContact CG2-CE1 3.7Å; I944-L984 HydrophobicContact CD1-CD2 4.21Å; I944-L984 HydrophobicContact CG2-CD2 4.47Å; I944-N987 HydrophobicContact CD1-CB 4.21Å; I944-T988 HydrophobicContact CD1-CG2 3.42Å; I944-T988 VanDerWaalsContact CD1-CG2 3.42Å |
| 945 | R | 91.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.7 | -179.1 | -170.6 | 72.3 | 126.7 | -1.9 | 111.8 | M941 D942 E943 S947 K948 I953 A954 | M941-R945 PolarHBondContact O-N 3.44Å; D942-R945 WeakPolarHBondContact O-CB 3.36Å; D942-R945 PolarHBondContact O-N 3.5Å; D942-R945 IonicContact OD1-CZ 3.13Å; D942-R945 IonicContact OD1-NE 3.47Å; D942-R945 PolarHBondContact OD1-NE 2.87Å; D942-R945 IonicContact OD1-NH2 2.67Å; D942-R945 PolarHBondContact OD1-NH2 3.04Å; D942-R945 IonicContact OD2-NH2 2.6Å; E943-R945 VanDerWaalsContact C-N 3.33Å; R945-S947 PolarHBondContact O-N 3.27Å; R945-K948 PolarHBondContact O-N 3.24Å; R945-K948 VanDerWaalsContact O-N 3.09Å; R945-I953 HydrophobicContact CB-CB 4.29Å; R945-I953 HydrophobicContact CB-CG2 3.99Å; R945-I953 HydrophobicContact CG-CB 4.07Å; R945-I953 HydrophobicContact CG-CG2 3.79Å; R945-A954 WeakPolarHBondContact CD-O 3.37Å; R945-A954 PolarHBondContact NH1-O 3.16Å |
| 946 | L | 88.4 | Confident | 90.3 | Very high | 118 Ų | 118 | 57.3 Ų | 57.3 | 62% | 0.618 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | -176.5 | -72.1 | 173 | 0 | 0 | 0 | 112.4 | D942 E943 K948 | D942-L946 WeakPolarHBondContact O-CB 3.47Å; D942-L946 WeakPolarHBondContact O-CG 3.4Å; D942-L946 PolarHBondContact O-N 3.2Å; E943-L946 PolarHBondContact O-N 3.06Å; L946-K948 PolarHBondContact O-N 3.13Å |
| 947 | S | 84.1 | Confident | 90.3 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8 | 175.7 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | E943 I944 R945 K949 | E943-S947 VanDerWaalsContact O-CB 3.26Å; E943-S947 WeakPolarHBondContact O-CB 3.13Å; E943-S947 PolarHBondContact O-N 2.96Å; E943-S947 PolarHBondContact O-OG 3.44Å; I944-S947 PolarHBondContact O-OG 3.3Å; R945-S947 PolarHBondContact O-N 3.27Å; S947-K949 PolarHBondContact O-N 3.34Å; S947-K949 WeakPolarHBondContact OG-CG 3.35Å |
| 948 | K | 80.1 | Confident | 90.3 | Very high | 152 Ų | 152 | 60 Ų | 60 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.7 | -174.5 | -60.2 | -175.8 | 176.8 | -176.4 | 0 | 113.1 | I944 R945 L946 I950 | I944-K948 PolarHBondContact O-N 3.07Å; R945-K948 PolarHBondContact O-N 3.24Å; R945-K948 VanDerWaalsContact O-N 3.09Å; L946-K948 PolarHBondContact O-N 3.13Å; K948-I950 PolarHBondContact O-N 3.28Å |
| 949 | K | 76.6 | Confident | 90.2 | Very high | 126 Ų | 126 | 62.5 Ų | 62.5 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -62.2 | -28.1 | 176.2 | -79.2 | 175.4 | -179.3 | -178.4 | 0 | 112.4 | I944 S947 Y983 | I944-K949 PolarHBondContact O-N 3.09Å; S947-K949 PolarHBondContact O-N 3.34Å; S947-K949 WeakPolarHBondContact OG-CG 3.35Å; K949-Y983 WeakPolarHBondContact CB-OH 3.31Å |
| 950 | I | 83 | Confident | 90.1 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -132.9 | 130.2 | 166.2 | -172.2 | 162.8 | 0 | 0 | 0 | 107 | I944 K948 I953 I980 Y983 V1164 L1165 | I944-I950 HydrophobicContact CG2-CG2 3.61Å; K948-I950 PolarHBondContact O-N 3.28Å; I950-I953 HydrophobicContact CG2-CD1 3.9Å; I950-I953 HydrophobicContact CG2-CG1 4.48Å; I950-I980 HydrophobicContact CD1-CB 4.21Å; I950-I980 HydrophobicContact CD1-CG1 3.74Å; I950-I980 HydrophobicContact CG1-CG1 4.12Å; I950-Y983 HydrophobicContact CB-CD1 4.04Å; I950-Y983 HydrophobicContact CB-CD2 4.41Å; I950-Y983 HydrophobicContact CB-CE1 4.17Å; I950-Y983 HydrophobicContact CB-CG 4.18Å; I950-Y983 HydrophobicContact CD1-CD1 4Å; I950-Y983 HydrophobicContact CD1-CD2 3.95Å; I950-Y983 HydrophobicContact CD1-CG 3.48Å; I950-Y983 VanDerWaalsContact CD1-CG 3.48Å; I950-Y983 HydrophobicContact CG1-CG 4.43Å; I950-Y983 HydrophobicContact CG2-CD1 3.76Å; I950-Y983 HydrophobicContact CG2-CE1 3.96Å; I950-Y983 HydrophobicContact CG2-CG 4.34Å; I950-V1164 HydrophobicContact CD1-CG1 3.68Å; I950-V1164 HydrophobicContact CG1-CG1 4.04Å; I950-L1165 HydrophobicContact CB-CD2 4.4Å; I950-L1165 HydrophobicContact CG1-CD2 4.45Å |
| 951 | D | 81.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -81.8 | 160.4 | 174 | -164.7 | 36 | 0 | 0 | 0 | 110.5 | K972 | D951-K972 IonicContact OD1-NZ 3.72Å; D951-K972 PolarHBondContact OD1-NZ 3.06Å; D951-K972 IonicContact OD2-NZ 3.94Å |
| 952 | G | 87.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | trans | 103.2 | -9.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L971 K972 | G952-L971 CarbonylContact O-C 3.51Å; G952-L971 VanDerWaalsContact O-CA 3.25Å; G952-L971 WeakPolarHBondContact O-CA 3.33Å; G952-K972 PolarHBondContact O-N 2.72Å | ||
| 953 | I | 92.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.9 | 169.2 | -57.5 | 174 | 0 | 0 | 0 | 109.2 | I944 R945 I950 V956 V969 L971 I980 L984 | I944-I953 HydrophobicContact CG2-CD1 4.39Å; R945-I953 HydrophobicContact CB-CB 4.29Å; R945-I953 HydrophobicContact CB-CG2 3.99Å; R945-I953 HydrophobicContact CG-CB 4.07Å; R945-I953 HydrophobicContact CG-CG2 3.79Å; I950-I953 HydrophobicContact CG2-CD1 3.9Å; I950-I953 HydrophobicContact CG2-CG1 4.48Å; I953-V956 HydrophobicContact CG2-CG2 4.09Å; I953-V969 HydrophobicContact CD1-CG1 4.37Å; I953-V969 HydrophobicContact CG1-CG1 4.18Å; I953-V969 HydrophobicContact CG2-CG1 3.67Å; I953-L971 HydrophobicContact CG1-CD2 4.39Å; I953-I980 HydrophobicContact CD1-CG2 3.98Å; I953-I980 HydrophobicContact CG1-CG2 3.75Å; I953-L984 HydrophobicContact CD1-CD2 4.23Å |
| 954 | A | 92.2 | Very high | 88.5 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -48.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R945 E970 K972 | R945-A954 WeakPolarHBondContact CD-O 3.37Å; R945-A954 PolarHBondContact NH1-O 3.16Å; A954-E970 WeakPolarHBondContact CA-O 3.47Å; A954-E970 HydrophobicContact CB-CB 4.42Å; A954-E970 HydrophobicContact CB-CG 4.26Å; A954-E970 WeakPolarHBondContact CB-O 3.13Å; A954-E970 PolarHBondContact N-O 2.87Å; A954-K972 HydrophobicContact CB-CG 4.22Å |
| 955 | E | 94.2 | Very high | 88.5 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 153.2 | -175.9 | -165.8 | 175.7 | -153.9 | 0 | 0 | 110.9 | R957 V969 E970 | E955-R957 HydrophobicContact CG-CG 3.9Å; E955-R957 IonicContact OE2-CZ 2.68Å; E955-R957 IonicContact OE2-NH1 3.49Å; E955-R957 PolarHBondContact OE2-NH1 2.76Å; E955-V969 CarbonylContact O-C 3.55Å; E955-V969 WeakPolarHBondContact O-CA 3.48Å; E955-E970 HydrophobicContact CB-CB 4.42Å; E955-E970 PolarHBondContact N-O 2.75Å; E955-E970 PolarHBondContact O-N 3.02Å |
| 956 | V | 95.8 | Very high | 88.7 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.6 | 170.4 | -177 | 0 | 0 | 0 | 0 | 107.4 | V938 M941 I953 V967 V968 V969 | V938-V956 HydrophobicContact CG1-CG1 4.12Å; M941-V956 HydrophobicContact CB-CG1 4.07Å; M941-V956 HydrophobicContact CB-CG2 4.1Å; M941-V956 HydrophobicContact CE-CG1 4.09Å; I953-V956 HydrophobicContact CG2-CG2 4.09Å; V956-V967 HydrophobicContact CG1-CG1 4.48Å; V956-V968 CarbonylContact C-O 3.58Å; V956-V968 WeakPolarHBondContact CA-O 3.45Å; V956-V969 HydrophobicContact CG1-CG2 4.31Å; V956-V969 HydrophobicContact CG2-CG1 4.29Å; V956-V969 HydrophobicContact CG2-CG2 4.35Å |
| 957 | R | 95.5 | Very high | 89.1 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.5 | -178.4 | -59.9 | -171.1 | -61.3 | -91.2 | -4.5 | 110.7 | E955 E959 V967 V968 E970 | E955-R957 HydrophobicContact CG-CG 3.9Å; E955-R957 IonicContact OE2-CZ 2.68Å; E955-R957 IonicContact OE2-NH1 3.49Å; E955-R957 PolarHBondContact OE2-NH1 2.76Å; R957-E959 HydrophobicContact CB-CG 4.26Å; R957-E959 IonicContact CZ-OE1 3.89Å; R957-E959 IonicContact NE-OE1 3.51Å; R957-E959 PolarHBondContact NE-OE1 2.78Å; R957-E959 IonicContact NH2-OE1 2.81Å; R957-E959 PolarHBondContact NH2-OE1 3.04Å; R957-E959 VanDerWaalsContact NH2-OE1 3.15Å; R957-V967 WeakPolarHBondContact O-CA 3.25Å; R957-V967 WeakPolarHBondContact O-CG1 3.37Å; R957-V968 PolarHBondContact N-O 2.95Å; R957-V968 PolarHBondContact O-N 3.5Å; R957-E970 IonicContact CZ-OE2 3.33Å; R957-E970 IonicContact NH1-OE2 3.22Å; R957-E970 PolarHBondContact NH1-OE2 2.82Å |
| 958 | D | 95.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.5 | 165.4 | -176.4 | 7.1 | 0 | 0 | 0 | 108.4 | K934 V938 S960 | K934-D958 WeakPolarHBondContact CE-OD2 3.24Å; K934-D958 IonicContact NZ-OD1 3.47Å; K934-D958 PolarHBondContact NZ-OD1 3.3Å; K934-D958 IonicContact NZ-OD2 2.8Å; K934-D958 PolarHBondContact NZ-OD2 3.46Å; V938-D958 HydrophobicContact CG2-CB 4.44Å; D958-S960 WeakPolarHBondContact OD1-CB 3.45Å; D958-S960 PolarHBondContact OD1-N 3.17Å; D958-S960 PolarHBondContact OD1-OG 2.87Å |
| 959 | E | 94.9 | Very high | 90.5 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | trans | -108.4 | 15 | 179.4 | -62.8 | -174.2 | -170.3 | 0 | 0 | 111.1 | R957 D961 Q966 V968 | R957-E959 HydrophobicContact CB-CG 4.26Å; R957-E959 IonicContact CZ-OE1 3.89Å; R957-E959 IonicContact NE-OE1 3.51Å; R957-E959 PolarHBondContact NE-OE1 2.78Å; R957-E959 IonicContact NH2-OE1 2.81Å; R957-E959 PolarHBondContact NH2-OE1 3.04Å; R957-E959 VanDerWaalsContact NH2-OE1 3.15Å; E959-D961 PolarHBondContact O-N 2.84Å; E959-Q966 CarbonylContact C-O 3.55Å; E959-Q966 WeakPolarHBondContact CA-O 3.42Å; E959-Q966 HydrophobicContact CB-CB 4.4Å; E959-Q966 HydrophobicContact CB-CG 4.44Å; E959-Q966 PolarHBondContact N-O 2.9Å; E959-V968 HydrophobicContact CB-CG2 4.49Å; E959-V968 HydrophobicContact CG-CG2 4.19Å | ||
| 960 | S | 92.2 | Very high | 91.4 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -60.9 | 133.7 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | K934 D958 Q966 | K934-S960 PolarHBondContact NZ-OG 2.8Å; D958-S960 WeakPolarHBondContact OD1-CB 3.45Å; D958-S960 PolarHBondContact OD1-N 3.17Å; D958-S960 PolarHBondContact OD1-OG 2.87Å; S960-Q966 PolarHBondContact N-O 2.97Å; S960-Q966 PolarHBondContact OG-N 2.85Å; S960-Q966 VanDerWaalsContact OG-N 3.15Å; S960-Q966 PolarHBondContact OG-O 3.18Å | ||
| 961 | D | 89.3 | Confident | 91.9 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -143.1 | -158.4 | -177.9 | 77.6 | -4.8 | 0 | 0 | 0 | 112.2 | E959 T963 G964 | E959-D961 PolarHBondContact O-N 2.84Å; D961-T963 PolarHBondContact O-N 3.02Å; D961-T963 WeakPolarHBondContact OD1-CA 3.47Å; D961-T963 VanDerWaalsContact OD1-CB 3.29Å; D961-T963 WeakPolarHBondContact OD1-CB 3.23Å; D961-T963 PolarHBondContact OD1-N 3.47Å; D961-T963 PolarHBondContact OD1-OG1 2.94Å; D961-G964 PolarHBondContact N-O 2.77Å; D961-G964 PolarHBondContact O-N 3.16Å |
| 962 | R | 82.6 | Confident | 92.4 | Very high | 258 Ų | 258 | 53 Ų | 53 | 97% | 0.974 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.3 | 178.4 | -66.1 | -175.3 | -179.5 | 178.9 | 0.1 | 113.8 | ||
| 963 | T | 82.6 | Confident | 92.3 | Very high | 125 Ų | 125 | 59 Ų | 59 | 77% | 0.767 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -20.1 | -179.8 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | D961 | D961-T963 PolarHBondContact O-N 3.02Å; D961-T963 WeakPolarHBondContact OD1-CA 3.47Å; D961-T963 VanDerWaalsContact OD1-CB 3.29Å; D961-T963 WeakPolarHBondContact OD1-CB 3.23Å; D961-T963 PolarHBondContact OD1-N 3.47Å; D961-T963 PolarHBondContact OD1-OG1 2.94Å |
| 964 | G | 86.5 | Confident | 91.8 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | 155 | -174.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D961 | D961-G964 PolarHBondContact N-O 2.77Å; D961-G964 PolarHBondContact O-N 3.16Å |
| 965 | L | 92.3 | Very high | 91.5 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | trans | -76.4 | 130.5 | 172.5 | -177.5 | 152.1 | 0 | 0 | 0 | 109.6 | M777 I928 K934 | M777-L965 HydrophobicContact SD-CD1 3.72Å; I928-L965 HydrophobicContact CB-CD1 4.3Å; I928-L965 HydrophobicContact CD1-CD1 3.76Å; I928-L965 HydrophobicContact CG1-CD1 3.66Å; I928-L965 HydrophobicContact CG2-CD1 3.86Å; I928-L965 HydrophobicContact CG2-CD2 3.96Å; K934-L965 HydrophobicContact CD-CD1 4.14Å; K934-L965 HydrophobicContact CD-CG 4.36Å | ||
| 966 | Q | 94.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 64.1 Ų | 64.1 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | trans | -147.9 | 117.8 | 173.3 | -167.6 | 172.7 | 20.8 | 0 | 0 | 110.4 | V924 I925 E959 S960 V968 | V924-Q966 HydrophobicContact CG1-CG 3.84Å; I925-Q966 WeakPolarHBondContact O-CA 3.28Å; E959-Q966 CarbonylContact C-O 3.55Å; E959-Q966 WeakPolarHBondContact CA-O 3.42Å; E959-Q966 HydrophobicContact CB-CB 4.4Å; E959-Q966 HydrophobicContact CB-CG 4.44Å; E959-Q966 PolarHBondContact N-O 2.9Å; S960-Q966 PolarHBondContact N-O 2.97Å; S960-Q966 PolarHBondContact OG-N 2.85Å; S960-Q966 VanDerWaalsContact OG-N 3.15Å; S960-Q966 PolarHBondContact OG-O 3.18Å; Q966-V968 HydrophobicContact CG-CG2 4.16Å | ||
| 967 | V | 96.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | I925 K934 V938 M941 V956 R957 | I925-V967 HydrophobicContact CB-CB 4.17Å; I925-V967 HydrophobicContact CD1-CB 3.99Å; I925-V967 HydrophobicContact CD1-CG1 3.95Å; I925-V967 PolarHBondContact N-O 2.93Å; I925-V967 PolarHBondContact O-N 3.49Å; K934-V967 HydrophobicContact CD-CG2 4.3Å; K934-V967 HydrophobicContact CG-CG2 4.34Å; V938-V967 HydrophobicContact CG2-CG1 3.91Å; V938-V967 HydrophobicContact CG2-CG2 4.07Å; M941-V967 HydrophobicContact CE-CG1 3.77Å; V956-V967 HydrophobicContact CG1-CG1 4.48Å; R957-V967 WeakPolarHBondContact O-CA 3.25Å; R957-V967 WeakPolarHBondContact O-CG1 3.37Å |
| 968 | V | 96.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.2 | -173.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | Q922 V956 R957 E959 Q966 | Q922-V968 HydrophobicContact CB-CG1 4.16Å; Q922-V968 HydrophobicContact CG-CG1 4.45Å; Q922-V968 VanDerWaalsContact OE1-CG1 3.29Å; V956-V968 CarbonylContact C-O 3.58Å; V956-V968 WeakPolarHBondContact CA-O 3.45Å; R957-V968 PolarHBondContact N-O 2.95Å; R957-V968 PolarHBondContact O-N 3.5Å; E959-V968 HydrophobicContact CB-CG2 4.49Å; E959-V968 HydrophobicContact CG-CG2 4.19Å; Q966-V968 HydrophobicContact CG-CG2 4.16Å |
| 969 | V | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 102.5 | 171.4 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | Q922 I923 I925 M941 I953 E955 V956 L971 L984 | Q922-V969 CarbonylContact C-O 3.41Å; Q922-V969 VanDerWaalsContact CA-O 3.31Å; Q922-V969 WeakPolarHBondContact CA-O 3.17Å; I923-V969 HydrophobicContact CB-CB 4.2Å; I923-V969 PolarHBondContact N-O 3.48Å; I923-V969 PolarHBondContact O-N 3.38Å; I925-V969 HydrophobicContact CD1-CG2 4.11Å; M941-V969 HydrophobicContact SD-CG2 4.1Å; I953-V969 HydrophobicContact CD1-CG1 4.37Å; I953-V969 HydrophobicContact CG1-CG1 4.18Å; I953-V969 HydrophobicContact CG2-CG1 3.67Å; E955-V969 CarbonylContact O-C 3.55Å; E955-V969 WeakPolarHBondContact O-CA 3.48Å; V956-V969 HydrophobicContact CG1-CG2 4.31Å; V956-V969 HydrophobicContact CG2-CG1 4.29Å; V956-V969 HydrophobicContact CG2-CG2 4.35Å; V969-L971 HydrophobicContact CG1-CD2 4.15Å; V969-L984 HydrophobicContact CG1-CD1 4.41Å; V969-L984 HydrophobicContact CG2-CD1 4.28Å |
| 970 | E | 95.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.1 | 176.9 | -174.4 | 178 | 148.4 | 0 | 0 | 110 | K920 A954 E955 R957 | K920-E970 IonicContact NZ-OE1 2.73Å; K920-E970 PolarHBondContact NZ-OE1 3.23Å; A954-E970 WeakPolarHBondContact CA-O 3.47Å; A954-E970 HydrophobicContact CB-CB 4.42Å; A954-E970 HydrophobicContact CB-CG 4.26Å; A954-E970 WeakPolarHBondContact CB-O 3.13Å; A954-E970 PolarHBondContact N-O 2.87Å; E955-E970 HydrophobicContact CB-CB 4.42Å; E955-E970 PolarHBondContact N-O 2.75Å; E955-E970 PolarHBondContact O-N 3.02Å; R957-E970 IonicContact CZ-OE2 3.33Å; R957-E970 IonicContact NH1-OE2 3.22Å; R957-E970 PolarHBondContact NH1-OE2 2.82Å |
| 971 | L | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 151.1 | -179.6 | -50.5 | 179.4 | 0 | 0 | 0 | 111.7 | Q921 I923 G952 I953 V969 A975 A977 I980 | Q921-L971 HydrophobicContact CB-CD1 4.27Å; Q921-L971 VanDerWaalsContact O-CB 3.26Å; Q921-L971 WeakPolarHBondContact O-CB 3.25Å; Q921-L971 PolarHBondContact O-N 2.72Å; I923-L971 HydrophobicContact CD1-CD1 4.34Å; I923-L971 HydrophobicContact CD1-CD2 4.17Å; I923-L971 HydrophobicContact CG1-CD1 4.2Å; G952-L971 CarbonylContact O-C 3.51Å; G952-L971 VanDerWaalsContact O-CA 3.25Å; G952-L971 WeakPolarHBondContact O-CA 3.33Å; I953-L971 HydrophobicContact CG1-CD2 4.39Å; V969-L971 HydrophobicContact CG1-CD2 4.15Å; L971-A975 HydrophobicContact CB-CB 4.33Å; L971-A977 VanDerWaalsContact CD1-CA 3.46Å; L971-A977 HydrophobicContact CD1-CB 3.34Å; L971-I980 HydrophobicContact CD2-CD1 3.85Å; L971-I980 HydrophobicContact CD2-CG2 4.03Å |
| 972 | K | 90.9 | Very high | 90.4 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65 | 159.9 | 168.7 | -63.4 | -177.4 | -174.7 | 173.1 | 0 | 109.6 | D951 G952 A954 D974 A975 | D951-K972 IonicContact OD1-NZ 3.72Å; D951-K972 PolarHBondContact OD1-NZ 3.06Å; D951-K972 IonicContact OD2-NZ 3.94Å; G952-K972 PolarHBondContact O-N 2.72Å; A954-K972 HydrophobicContact CB-CG 4.22Å; K972-D974 PolarHBondContact O-N 2.87Å; K972-A975 WeakPolarHBondContact O-CB 3.5Å; K972-A975 PolarHBondContact O-N 3.18Å |
| 973 | K | 86.8 | Confident | 90.8 | Very high | 132 Ų | 132 | 45.4 Ų | 45.4 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 138.5 | 176.8 | -163.4 | -169.5 | 170.3 | -168.5 | 0 | 109.9 | A975 | K973-A975 PolarHBondContact O-N 2.73Å; K973-A975 VanDerWaalsContact O-N 3.13Å |
| 974 | D | 81.5 | Confident | 91.4 | Very high | 136 Ų | 136 | 39.5 Ų | 39.5 | 73% | 0.727 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 12.8 | 177.2 | -47.8 | -46.7 | 0 | 0 | 0 | 115.1 | K972 | K972-D974 PolarHBondContact O-N 2.87Š|
| 975 | A | 84.8 | Confident | 91.8 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | trans | -72.4 | 143.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L971 K972 K973 A977 I980 | L971-A975 HydrophobicContact CB-CB 4.33Å; K972-A975 WeakPolarHBondContact O-CB 3.5Å; K972-A975 PolarHBondContact O-N 3.18Å; K973-A975 PolarHBondContact O-N 2.73Å; K973-A975 VanDerWaalsContact O-N 3.13Å; A975-A977 PolarHBondContact O-N 2.86Å; A975-I980 HydrophobicContact CB-CD1 3.98Å | ||
| 976 | N | 87.6 | Confident | 91.7 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | trans | -73 | 94.4 | 175.8 | -176.7 | -11.3 | 0 | 0 | 0 | 110.7 | E978 G979 I980 | N976-E978 VanDerWaalsContact C-N 3.33Å; N976-E978 PolarHBondContact O-N 3.01Å; N976-E978 PolarHBondContact OD1-N 3.44Å; N976-G979 PolarHBondContact O-N 3.22Å; N976-G979 PolarHBondContact OD1-N 3.08Å; N976-I980 VanDerWaalsContact O-CG1 3.31Å; N976-I980 WeakPolarHBondContact O-CG1 3.43Å; N976-I980 PolarHBondContact O-N 3.22Å | ||
| 977 | A | 90.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I913 L971 A975 I980 L981 | I913-A977 HydrophobicContact CD1-CB 3.96Å; I913-A977 HydrophobicContact CG1-CB 4.48Å; I913-A977 HydrophobicContact CG2-CB 3.8Å; L971-A977 VanDerWaalsContact CD1-CA 3.46Å; L971-A977 HydrophobicContact CD1-CB 3.34Å; A975-A977 PolarHBondContact O-N 2.86Å; A977-I980 PolarHBondContact O-N 3.2Å; A977-L981 WeakPolarHBondContact O-CB 3.33Å; A977-L981 PolarHBondContact O-N 2.97Å |
| 978 | E | 91.6 | Very high | 91.4 | Very high | 131 Ų | 131 | 43 Ų | 43 | 61% | 0.612 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -70.7 | -42.5 | -179.9 | -171.3 | 169 | -168.2 | 0 | 0 | 111.3 | N976 I980 L981 N982 | N976-E978 VanDerWaalsContact C-N 3.33Å; N976-E978 PolarHBondContact O-N 3.01Å; N976-E978 PolarHBondContact OD1-N 3.44Å; E978-I980 VanDerWaalsContact C-N 3.33Å; E978-I980 PolarHBondContact O-N 2.73Å; E978-L981 PolarHBondContact O-N 2.89Å; E978-N982 WeakPolarHBondContact O-CB 3.4Å; E978-N982 VanDerWaalsContact O-CG 3.31Å; E978-N982 PolarHBondContact O-N 2.88Å; E978-N982 PolarHBondContact O-ND2 2.85Å |
| 979 | G | 88.1 | Confident | 91.3 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N976 Y983 | N976-G979 PolarHBondContact O-N 3.22Å; N976-G979 PolarHBondContact OD1-N 3.08Å; G979-Y983 WeakPolarHBondContact O-CB 3.25Å; G979-Y983 PolarHBondContact O-N 3.21Å |
| 980 | I | 91.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 175.7 | -67.2 | 168.9 | 0 | 0 | 0 | 111.2 | I923 I950 I953 L971 A975 N976 A977 E978 N982 Y983 L984 V1164 | I923-I980 HydrophobicContact CD1-CB 4.39Å; I923-I980 HydrophobicContact CD1-CG2 3.97Å; I950-I980 HydrophobicContact CD1-CB 4.21Å; I950-I980 HydrophobicContact CD1-CG1 3.74Å; I950-I980 HydrophobicContact CG1-CG1 4.12Å; I953-I980 HydrophobicContact CD1-CG2 3.98Å; I953-I980 HydrophobicContact CG1-CG2 3.75Å; L971-I980 HydrophobicContact CD2-CD1 3.85Å; L971-I980 HydrophobicContact CD2-CG2 4.03Å; A975-I980 HydrophobicContact CB-CD1 3.98Å; N976-I980 VanDerWaalsContact O-CG1 3.31Å; N976-I980 WeakPolarHBondContact O-CG1 3.43Å; N976-I980 PolarHBondContact O-N 3.22Å; A977-I980 PolarHBondContact O-N 3.2Å; E978-I980 VanDerWaalsContact C-N 3.33Å; E978-I980 PolarHBondContact O-N 2.73Å; I980-N982 VanDerWaalsContact C-N 3.35Å; I980-N982 PolarHBondContact O-N 3.13Å; I980-Y983 WeakPolarHBondContact O-CB 3.24Å; I980-Y983 PolarHBondContact O-N 3.07Å; I980-L984 HydrophobicContact CG2-CD1 4.22Å; I980-L984 HydrophobicContact CG2-CG 4.38Å; I980-L984 WeakPolarHBondContact O-CG 3.3Å; I980-L984 PolarHBondContact O-N 3.41Å; I980-V1164 HydrophobicContact CG1-CG1 4.46Å |
| 981 | L | 94.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.8 | 177.3 | 57.5 | 0 | 0 | 0 | 111.6 | T911 I913 I923 A977 E978 Y983 L984 F985 | T911-L981 HydrophobicContact CG2-CD1 4.18Å; I913-L981 HydrophobicContact CD1-CD2 4.33Å; I913-L981 HydrophobicContact CG1-CD2 4.43Å; I923-L981 HydrophobicContact CD1-CB 3.89Å; I923-L981 HydrophobicContact CG2-CD1 3.88Å; A977-L981 WeakPolarHBondContact O-CB 3.33Å; A977-L981 PolarHBondContact O-N 2.97Å; E978-L981 PolarHBondContact O-N 2.89Å; L981-Y983 VanDerWaalsContact C-N 3.32Å; L981-Y983 PolarHBondContact O-N 3.01Å; L981-L984 PolarHBondContact O-N 2.92Å; L981-L984 VanDerWaalsContact O-N 3.15Å; L981-F985 HydrophobicContact CD1-CD2 4.04Å; L981-F985 HydrophobicContact CD1-CE1 4.24Å; L981-F985 HydrophobicContact CD1-CE2 3.58Å; L981-F985 HydrophobicContact CD1-CZ 3.68Å; L981-F985 HydrophobicContact CD2-CE2 3.92Å; L981-F985 HydrophobicContact CD2-CZ 4.37Å; L981-F985 HydrophobicContact CG-CD2 3.92Å; L981-F985 HydrophobicContact CG-CE2 3.49Å; L981-F985 VanDerWaalsContact CG-CE2 3.49Å; L981-F985 HydrophobicContact CG-CZ 4.08Å; L981-F985 WeakPolarHBondContact O-CD2 3.31Å; L981-F985 PolarHBondContact O-N 3.07Å |
| 982 | N | 92 | Very high | 91.3 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.1 | -78.1 | -20.3 | 0 | 0 | 0 | 111.9 | E978 I980 F985 K986 I1158 | E978-N982 WeakPolarHBondContact O-CB 3.4Å; E978-N982 VanDerWaalsContact O-CG 3.31Å; E978-N982 PolarHBondContact O-N 2.88Å; E978-N982 PolarHBondContact O-ND2 2.85Å; I980-N982 VanDerWaalsContact C-N 3.35Å; I980-N982 PolarHBondContact O-N 3.13Å; N982-F985 PolarHBondContact O-N 2.79Å; N982-K986 PolarHBondContact O-N 3.09Å; N982-I1158 HydrophobicContact CB-CG2 3.65Å; N982-I1158 WeakPolarHBondContact O-CG2 3.15Å |
| 983 | Y | 91.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.8 | -175.2 | -86 | 0 | 0 | 0 | 112.1 | I944 K949 I950 G979 I980 L981 K986 N987 I1160 L1165 | I944-Y983 HydrophobicContact CD1-CE1 4.19Å; I944-Y983 HydrophobicContact CG1-CE1 4.44Å; I944-Y983 HydrophobicContact CG2-CD1 4.27Å; I944-Y983 HydrophobicContact CG2-CE1 3.7Å; K949-Y983 WeakPolarHBondContact CB-OH 3.31Å; I950-Y983 HydrophobicContact CB-CD1 4.04Å; I950-Y983 HydrophobicContact CB-CD2 4.41Å; I950-Y983 HydrophobicContact CB-CE1 4.17Å; I950-Y983 HydrophobicContact CB-CG 4.18Å; I950-Y983 HydrophobicContact CD1-CD1 4Å; I950-Y983 HydrophobicContact CD1-CD2 3.95Å; I950-Y983 HydrophobicContact CD1-CG 3.48Å; I950-Y983 VanDerWaalsContact CD1-CG 3.48Å; I950-Y983 HydrophobicContact CG1-CG 4.43Å; I950-Y983 HydrophobicContact CG2-CD1 3.76Å; I950-Y983 HydrophobicContact CG2-CE1 3.96Å; I950-Y983 HydrophobicContact CG2-CG 4.34Å; G979-Y983 WeakPolarHBondContact O-CB 3.25Å; G979-Y983 PolarHBondContact O-N 3.21Å; I980-Y983 WeakPolarHBondContact O-CB 3.24Å; I980-Y983 PolarHBondContact O-N 3.07Å; L981-Y983 VanDerWaalsContact C-N 3.32Å; L981-Y983 PolarHBondContact O-N 3.01Å; Y983-K986 PolarHBondContact O-N 3.26Å; Y983-N987 HydrophobicContact CD1-CB 4.38Å; Y983-N987 HydrophobicContact CE1-CB 3.97Å; Y983-N987 WeakPolarHBondContact CE2-ND2 3.27Å; Y983-N987 WeakPolarHBondContact O-CB 3.27Å; Y983-N987 PolarHBondContact O-N 3.25Å; Y983-N987 PolarHBondContact O-ND2 3.13Å; Y983-I1160 HydrophobicContact CD2-CD1 3.78Å; Y983-I1160 HydrophobicContact CD2-CG2 4.1Å; Y983-I1160 HydrophobicContact CE2-CD1 4.43Å; Y983-I1160 HydrophobicContact CG-CD1 4.44Å; Y983-L1165 HydrophobicContact CD2-CD2 3.5Å; Y983-L1165 HydrophobicContact CE2-CD2 3.39Å |
| 984 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 178.8 | -67.3 | 178.2 | 0 | 0 | 0 | 111.5 | I923 M941 I944 I953 V969 I980 L981 K986 N987 T988 L990 | I923-L984 HydrophobicContact CD1-CD1 4.39Å; M941-L984 HydrophobicContact CG-CD2 4.13Å; M941-L984 HydrophobicContact SD-CD1 4.35Å; I944-L984 HydrophobicContact CD1-CD2 4.21Å; I944-L984 HydrophobicContact CG2-CD2 4.47Å; I953-L984 HydrophobicContact CD1-CD2 4.23Å; V969-L984 HydrophobicContact CG1-CD1 4.41Å; V969-L984 HydrophobicContact CG2-CD1 4.28Å; I980-L984 HydrophobicContact CG2-CD1 4.22Å; I980-L984 HydrophobicContact CG2-CG 4.38Å; I980-L984 WeakPolarHBondContact O-CG 3.3Å; I980-L984 PolarHBondContact O-N 3.41Å; L981-L984 PolarHBondContact O-N 2.92Å; L981-L984 VanDerWaalsContact O-N 3.15Å; L984-K986 VanDerWaalsContact C-N 3.25Å; L984-K986 PolarHBondContact O-N 2.89Å; L984-N987 PolarHBondContact O-N 3.32Å; L984-T988 HydrophobicContact CD2-CG2 4.09Å; L984-T988 VanDerWaalsContact O-CB 3.3Å; L984-T988 WeakPolarHBondContact O-CB 3.15Å; L984-T988 WeakPolarHBondContact O-CG2 3.34Å; L984-T988 PolarHBondContact O-N 2.91Å; L984-T988 PolarHBondContact O-OG1 3.41Å; L984-L990 HydrophobicContact CB-CD1 3.89Å |
| 985 | F | 94.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.1 | -39.7 | 174.9 | -76.8 | -46.1 | 0 | 0 | 0 | 112.6 | R908 T911 L981 N982 L990 Q991 I1158 | R908-F985 HydrophobicContact CG-CD1 3.86Å; R908-F985 HydrophobicContact CG-CE1 3.42Å; R908-F985 VanDerWaalsContact CG-CE1 3.42Å; R908-F985 HydrophobicContact CG-CZ 3.83Å; T911-F985 HydrophobicContact CG2-CE1 4.22Å; T911-F985 HydrophobicContact CG2-CZ 4.07Å; L981-F985 HydrophobicContact CD1-CD2 4.04Å; L981-F985 HydrophobicContact CD1-CE1 4.24Å; L981-F985 HydrophobicContact CD1-CE2 3.58Å; L981-F985 HydrophobicContact CD1-CZ 3.68Å; L981-F985 HydrophobicContact CD2-CE2 3.92Å; L981-F985 HydrophobicContact CD2-CZ 4.37Å; L981-F985 HydrophobicContact CG-CD2 3.92Å; L981-F985 HydrophobicContact CG-CE2 3.49Å; L981-F985 VanDerWaalsContact CG-CE2 3.49Å; L981-F985 HydrophobicContact CG-CZ 4.08Å; L981-F985 WeakPolarHBondContact O-CD2 3.31Å; L981-F985 PolarHBondContact O-N 3.07Å; N982-F985 PolarHBondContact O-N 2.79Å; F985-L990 HydrophobicContact CD1-CB 3.71Å; F985-L990 HydrophobicContact CE1-CB 4.1Å; F985-Q991 HydrophobicContact CB-CB 4.29Å; F985-Q991 HydrophobicContact CD1-CB 4.14Å; F985-I1158 HydrophobicContact CB-CD1 3.56Å; F985-I1158 HydrophobicContact CG-CD1 4.36Å |
| 986 | K | 90.2 | Very high | 92.9 | Very high | 129 Ų | 129 | 39.1 Ų | 39.1 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -80.7 | -27.3 | -177.6 | -173.7 | 161.4 | 173.6 | -178 | 0 | 114.1 | N982 Y983 L984 I1158 I1160 | N982-K986 PolarHBondContact O-N 3.09Å; Y983-K986 PolarHBondContact O-N 3.26Å; L984-K986 VanDerWaalsContact C-N 3.25Å; L984-K986 PolarHBondContact O-N 2.89Å; K986-I1158 HydrophobicContact CB-CG2 4.43Å; K986-I1160 HydrophobicContact CB-CD1 4.07Å; K986-I1160 HydrophobicContact CD-CD1 3.66Å; K986-I1160 HydrophobicContact CD-CG1 4.2Å; K986-I1160 HydrophobicContact CG-CD1 4.21Å |
| 987 | N | 91 | Very high | 93.2 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -111.8 | 2.2 | -172.4 | -65.4 | -83.3 | 0 | 0 | 0 | 114 | K940 I944 Y983 L984 | K940-N987 WeakPolarHBondContact CE-O 3.37Å; I944-N987 HydrophobicContact CD1-CB 4.21Å; Y983-N987 HydrophobicContact CD1-CB 4.38Å; Y983-N987 HydrophobicContact CE1-CB 3.97Å; Y983-N987 WeakPolarHBondContact CE2-ND2 3.27Å; Y983-N987 WeakPolarHBondContact O-CB 3.27Å; Y983-N987 PolarHBondContact O-N 3.25Å; Y983-N987 PolarHBondContact O-ND2 3.13Å; L984-N987 PolarHBondContact O-N 3.32Å |
| 988 | T | 94.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -136.3 | 177.1 | 179.5 | 75.6 | 0 | 0 | 0 | 0 | 111.2 | K940 M941 I944 L984 L990 | K940-T988 HydrophobicContact CG-CG2 4.42Å; M941-T988 HydrophobicContact CG-CG2 3.91Å; I944-T988 HydrophobicContact CD1-CG2 3.42Å; I944-T988 VanDerWaalsContact CD1-CG2 3.42Å; L984-T988 HydrophobicContact CD2-CG2 4.09Å; L984-T988 VanDerWaalsContact O-CB 3.3Å; L984-T988 WeakPolarHBondContact O-CB 3.15Å; L984-T988 WeakPolarHBondContact O-CG2 3.34Å; L984-T988 PolarHBondContact O-N 2.91Å; L984-T988 PolarHBondContact O-OG1 3.41Å; T988-L990 PolarHBondContact O-N 3.23Å; T988-L990 WeakPolarHBondContact OG1-CG 3.37Å; T988-L990 PolarHBondContact OG1-N 2.81Å |
| 989 | D | 95.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 30.9 Ų | 30.9 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 16.1 | -177.8 | -49.9 | -14.7 | 0 | 0 | 0 | 111.9 | P929 V932 L937 K940 Q991 I992 | P929-D989 WeakPolarHBondContact CD-O 3.49Å; P929-D989 VanDerWaalsContact CG-O 3.32Å; P929-D989 WeakPolarHBondContact CG-O 3.04Å; V932-D989 HydrophobicContact CG1-CB 3.77Å; V932-D989 HydrophobicContact CG2-CB 4.15Å; L937-D989 HydrophobicContact CD1-CB 4.1Å; K940-D989 IonicContact NZ-OD1 3.8Å; K940-D989 PolarHBondContact NZ-OD1 3.25Å; D989-Q991 PolarHBondContact O-N 3.41Å; D989-I992 HydrophobicContact CB-CG2 4.02Å |
| 990 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.7 | 164 | -71.4 | 178.9 | 0 | 0 | 0 | 111.8 | R908 S909 I925 L937 M941 L984 F985 T988 | R908-L990 CarbonylContact C-O 3.56Å; R908-L990 WeakPolarHBondContact CA-O 3.41Å; S909-L990 WeakPolarHBondContact CB-O 3.4Å; S909-L990 PolarHBondContact N-O 3.13Å; S909-L990 VanDerWaalsContact OG-CD2 3.3Å; S909-L990 WeakPolarHBondContact OG-CD2 3.4Å; S909-L990 PolarHBondContact OG-O 2.88Å; I925-L990 HydrophobicContact CB-CD2 4.44Å; I925-L990 HydrophobicContact CD1-CD1 4.37Å; I925-L990 HydrophobicContact CD1-CD2 4.08Å; I925-L990 HydrophobicContact CG1-CD1 4.41Å; I925-L990 HydrophobicContact CG1-CD2 3.85Å; I925-L990 HydrophobicContact CG2-CD2 3.75Å; L937-L990 HydrophobicContact CD1-CD2 4.46Å; L937-L990 HydrophobicContact CD1-CG 4.19Å; L937-L990 HydrophobicContact CD2-CD2 3.89Å; L937-L990 HydrophobicContact CD2-CG 4.49Å; M941-L990 HydrophobicContact SD-CD1 4.16Å; L984-L990 HydrophobicContact CB-CD1 3.89Å; F985-L990 HydrophobicContact CD1-CB 3.71Å; F985-L990 HydrophobicContact CE1-CB 4.1Å; T988-L990 PolarHBondContact O-N 3.23Å; T988-L990 WeakPolarHBondContact OG1-CG 3.37Å; T988-L990 PolarHBondContact OG1-N 2.81Å |
| 991 | Q | 95.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 122.4 | 169.9 | -175.2 | -178.9 | -78.1 | 0 | 0 | 109 | I906 L907 R908 F985 D989 | I906-Q991 HydrophobicContact CG2-CG 3.26Å; L907-Q991 WeakPolarHBondContact O-CA 3.25Å; R908-Q991 HydrophobicContact CB-CB 4.49Å; R908-Q991 HydrophobicContact CB-CG 4.16Å; R908-Q991 HydrophobicContact CG-CB 4.38Å; R908-Q991 HydrophobicContact CG-CG 4.42Å; R908-Q991 VanDerWaalsContact CZ-OE1 3.27Å; F985-Q991 HydrophobicContact CB-CB 4.29Å; F985-Q991 HydrophobicContact CD1-CB 4.14Å; D989-Q991 PolarHBondContact O-N 3.41Å |
| 992 | I | 95 | Very high | 94 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.2 | 178.3 | 68.2 | 172.8 | 0 | 0 | 0 | 111 | I906 L907 P929 V932 D989 | I906-I992 WeakPolarHBondContact CA-O 3.18Å; L907-I992 HydrophobicContact CB-CG1 4.06Å; L907-I992 PolarHBondContact N-O 2.75Å; L907-I992 PolarHBondContact O-N 2.83Å; P929-I992 HydrophobicContact CB-CD1 3.71Å; P929-I992 HydrophobicContact CB-CG1 3.7Å; P929-I992 HydrophobicContact CB-CG2 4.39Å; P929-I992 HydrophobicContact CG-CG1 4.38Å; V932-I992 HydrophobicContact CG2-CD1 4.13Å; V932-I992 HydrophobicContact CG2-CG2 3.9Å; D989-I992 HydrophobicContact CB-CG2 4.02Å |
| 993 | N | 94 | Very high | 93.8 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119 | 164 | -68.5 | -50.7 | 0 | 0 | 0 | 108.5 | K904 V905 | K904-N993 VanDerWaalsContact CE-CB 3.41Å; K904-N993 VanDerWaalsContact CE-OD1 3.27Å; K904-N993 WeakPolarHBondContact CE-OD1 3.43Å; K904-N993 PolarHBondContact NZ-ND2 2.7Å; V905-N993 WeakPolarHBondContact O-CA 3.32Å |
| 994 | Y | 94.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.7 | 173.8 | -168.4 | -89 | 0 | 0 | 0 | 109.3 | E846 P848 F882 V905 Y930 F996 | E846-Y994 HydrophobicContact CG-CE1 4.36Å; E846-Y994 PolarHBondContact OE1-OH 3.38Å; P848-Y994 HydrophobicContact CB-CE1 3.74Å; P848-Y994 HydrophobicContact CG-CE1 4.15Å; F882-Y994 HydrophobicContact CE1-CD2 4.39Å; F882-Y994 HydrophobicContact CE1-CE1 4.19Å; F882-Y994 AromaticContact CE1-CE2 3.96Å; F882-Y994 HydrophobicContact CE1-CE2 3.96Å; F882-Y994 AromaticContact CE1-CZ 3.84Å; F882-Y994 HydrophobicContact CZ-CD1 4.02Å; F882-Y994 HydrophobicContact CZ-CD2 4.22Å; F882-Y994 AromaticContact CZ-CE1 3.96Å; F882-Y994 HydrophobicContact CZ-CE1 3.96Å; F882-Y994 HydrophobicContact CZ-CE2 4.19Å; F882-Y994 HydrophobicContact CZ-CG 4.14Å; V905-Y994 HydrophobicContact CG2-CD1 4.38Å; V905-Y994 PolarHBondContact N-O 2.77Å; V905-Y994 PolarHBondContact O-N 2.82Å; Y930-Y994 AromaticContact CD1-CE2 3.98Å; Y930-Y994 HydrophobicContact CD1-CE2 3.98Å; Y994-F996 HydrophobicContact CD1-CD2 4.47Å; Y994-F996 HydrophobicContact CD1-CE2 4.49Å |
| 995 | N | 93.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114.5 | -174.1 | -59.3 | -41 | 0 | 0 | 0 | 109.8 | E846 G903 K904 | E846-N995 VanDerWaalsContact CG-O 3.29Å; E846-N995 WeakPolarHBondContact CG-O 3.42Å; G903-N995 CarbonylContact O-C 3.58Å; K904-N995 WeakPolarHBondContact CG-OD1 3.24Å |
| 996 | F | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 131.3 | 170.3 | -66.9 | -112.2 | 0 | 0 | 0 | 109.5 | P848 P880 I894 A897 Y898 K902 G903 V905 Y994 M998 | P848-F996 HydrophobicContact CG-CD1 3.68Å; P848-F996 HydrophobicContact CG-CE1 3.37Å; P848-F996 HydrophobicContact CG-CZ 4.09Å; P880-F996 HydrophobicContact CG-CE1 3.75Å; P880-F996 HydrophobicContact CG-CE2 4.5Å; P880-F996 HydrophobicContact CG-CZ 3.4Å; P880-F996 VanDerWaalsContact CG-CZ 3.4Å; I894-F996 HydrophobicContact CG1-CZ 4.48Å; A897-F996 HydrophobicContact CB-CB 3.81Å; A897-F996 HydrophobicContact CB-CD1 3.71Å; A897-F996 HydrophobicContact CB-CD2 3.88Å; A897-F996 HydrophobicContact CB-CE1 4.11Å; A897-F996 HydrophobicContact CB-CE2 4.28Å; A897-F996 HydrophobicContact CB-CG 3.56Å; A897-F996 HydrophobicContact CB-CZ 4.38Å; Y898-F996 HydrophobicContact CE1-CE1 4.07Å; K902-F996 WeakPolarHBondContact CA-O 3.12Å; G903-F996 PolarHBondContact N-O 3.32Å; G903-F996 PolarHBondContact O-N 3.33Å; V905-F996 HydrophobicContact CB-CE2 4.26Å; V905-F996 HydrophobicContact CG1-CD2 4.48Å; V905-F996 HydrophobicContact CG1-CE2 3.7Å; V905-F996 HydrophobicContact CG2-CD2 4.28Å; V905-F996 HydrophobicContact CG2-CE2 3.55Å; V905-F996 HydrophobicContact CG2-CZ 4.47Å; Y994-F996 HydrophobicContact CD1-CD2 4.47Å; Y994-F996 HydrophobicContact CD1-CE2 4.49Å; F996-M998 HydrophobicContact CD1-CG 4.46Å; F996-M998 HydrophobicContact CD1-SD 4.18Å |
| 997 | N | 95 | Very high | 92.8 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 81.1 | 168.1 | -177.1 | 27.2 | 0 | 0 | 0 | 108.3 | A844 T845 E846 K902 V999 | A844-N997 VanDerWaalsContact C-ND2 3.31Å; A844-N997 PolarHBondContact O-ND2 2.94Å; T845-N997 CarbonylContact C-O 3.44Å; T845-N997 VanDerWaalsContact CA-O 3.27Å; T845-N997 WeakPolarHBondContact CA-O 3.5Å; E846-N997 HydrophobicContact CB-CB 4.27Å; E846-N997 PolarHBondContact N-O 3.25Å; E846-N997 CarbonylContact O-C 3.46Å; E846-N997 PolarHBondContact O-N 3.36Å; K902-N997 WeakPolarHBondContact CE-OD1 3.22Å; N997-V999 PolarHBondContact O-N 3.3Å; N997-V999 VanDerWaalsContact O-N 3.07Å |
| 998 | M | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -84.3 | 89.2 | -169.2 | -57.6 | -166.1 | -67.1 | 0 | 0 | 110.3 | I847 A897 Y898 G901 F996 Q1008 V1009 | I847-M998 HydrophobicContact CD1-CB 4.49Å; I847-M998 HydrophobicContact CG1-CB 3.87Å; I847-M998 HydrophobicContact CG1-CG 3.93Å; A897-M998 WeakPolarHBondContact O-CE 3.32Å; Y898-M998 HydrophobicContact CD1-CE 4.15Å; G901-M998 PolarHBondContact O-N 2.97Å; F996-M998 HydrophobicContact CD1-CG 4.46Å; F996-M998 HydrophobicContact CD1-SD 4.18Å; M998-Q1008 CarbonylContact O-C 3.44Å; M998-Q1008 WeakPolarHBondContact O-CA 3.47Å; M998-V1009 VanDerWaalsContact CB-O 3.27Å; M998-V1009 WeakPolarHBondContact CB-O 3.42Å; M998-V1009 WeakPolarHBondContact CE-O 3.18Å; M998-V1009 PolarHBondContact O-N 2.96Å | ||
| 999 | V | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.2 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | L699 Y843 A844 T845 N997 P1006 Q1007 Q1008 | L699-V999 HydrophobicContact CD1-CG1 4.05Å; Y843-V999 HydrophobicContact CD1-CG1 4.08Å; A844-V999 WeakPolarHBondContact O-CG2 3.3Å; T845-V999 WeakPolarHBondContact CB-O 3.29Å; T845-V999 PolarHBondContact OG1-N 3.36Å; T845-V999 PolarHBondContact OG1-O 2.95Å; N997-V999 PolarHBondContact O-N 3.3Å; N997-V999 VanDerWaalsContact O-N 3.07Å; V999-P1006 HydrophobicContact CG1-CB 4.25Å; V999-Q1007 VanDerWaalsContact CA-O 3.3Å; V999-Q1007 WeakPolarHBondContact CA-O 3.36Å; V999-Q1008 HydrophobicContact CG2-CB 4.42Å |
| 1000 | A | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P700 I702 L831 D1002 Q1007 V1009 | P700-A1000 HydrophobicContact CG-CB 4.3Å; I702-A1000 HydrophobicContact CB-CB 4.01Å; I702-A1000 HydrophobicContact CG1-CB 4.25Å; L831-A1000 HydrophobicContact CD2-CB 4.03Å; A1000-D1002 PolarHBondContact O-N 2.89Å; A1000-Q1007 PolarHBondContact N-O 3.44Å; A1000-Q1007 VanDerWaalsContact N-O 3.08Å; A1000-Q1007 PolarHBondContact O-N 3.42Å; A1000-V1009 HydrophobicContact CB-CG2 4.3Å |
| 1001 | I | 92.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 118.8 | 171.3 | -57.5 | 165.6 | 0 | 0 | 0 | 107.4 | L699 P700 I702 T1005 | L699-I1001 HydrophobicContact CB-CD1 4.19Å; L699-I1001 HydrophobicContact CB-CG1 3.97Å; L699-I1001 HydrophobicContact CD1-CG1 4.5Å; P700-I1001 PolarHBondContact O-N 3.45Å; I702-I1001 WeakPolarHBondContact CB-O 3.19Å; I702-I1001 WeakPolarHBondContact CG2-O 3.44Å; I702-I1001 PolarHBondContact N-O 3.19Å; I1001-T1005 WeakPolarHBondContact CA-O 3.35Å |
| 1002 | D | 92.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.9 | 170.9 | -166.6 | 9.5 | 0 | 0 | 0 | 109 | I702 A1000 M1004 T1005 Q1007 H1013 S1017 | I702-D1002 HydrophobicContact CB-CB 4.45Å; I702-D1002 HydrophobicContact CD1-CB 4.28Å; I702-D1002 HydrophobicContact CG2-CB 3.9Å; A1000-D1002 PolarHBondContact O-N 2.89Å; D1002-M1004 VanDerWaalsContact C-N 3.29Å; D1002-M1004 PolarHBondContact O-N 3.27Å; D1002-T1005 PolarHBondContact N-O 3.36Å; D1002-T1005 PolarHBondContact O-N 2.99Å; D1002-T1005 PolarHBondContact O-OG1 2.83Å; D1002-Q1007 HydrophobicContact CB-CB 4.48Å; D1002-Q1007 HydrophobicContact CB-CG 4.34Å; D1002-H1013 IonicContact OD2-CD2 4Å; D1002-H1013 IonicContact OD2-CE1 3.04Å; D1002-H1013 IonicContact OD2-NE2 2.62Å; D1002-H1013 PolarHBondContact OD2-NE2 3.42Å; D1002-S1017 PolarHBondContact OD2-OG 3.2Å; D1002-S1017 VanDerWaalsContact OD2-OG 3.08Å |
| 1003 | N | 86.8 | Confident | 93.2 | Very high | 131 Ų | 131 | 35.4 Ų | 35.4 | 70% | 0.701 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 50.5 | -171.2 | -58.4 | -57 | 0 | 0 | 0 | 113 | T1005 | N1003-T1005 PolarHBondContact O-N 2.79Š|
| 1004 | M | 82.7 | Confident | 93.4 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 26% | 0.256 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -6.6 | -178.5 | -53.7 | -61 | -63.8 | 0 | 0 | 116.2 | F634 L636 Q695 D1002 | F634-M1004 WeakPolarHBondContact CB-O 3.35Å; L636-M1004 HydrophobicContact CD2-CE 3.45Å; L636-M1004 VanDerWaalsContact CD2-CE 3.45Å; L636-M1004 HydrophobicContact CD2-SD 4.35Å; L636-M1004 HydrophobicContact CG-CE 3.65Å; L636-M1004 HydrophobicContact CG-SD 4.42Å; Q695-M1004 PolarHBondContact NE2-O 3.49Å; D1002-M1004 VanDerWaalsContact C-N 3.29Å; D1002-M1004 PolarHBondContact O-N 3.27Å |
| 1005 | T | 85.4 | Confident | 93.6 | Very high | 46 Ų | 46 | 30.6 Ų | 30.6 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.3 | -177.9 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | F634 I1001 D1002 N1003 Q1007 | F634-T1005 HydrophobicContact CB-CG2 4Å; F634-T1005 HydrophobicContact CD2-CG2 4.13Å; F634-T1005 HydrophobicContact CG-CG2 4.38Å; I1001-T1005 WeakPolarHBondContact CA-O 3.35Å; D1002-T1005 PolarHBondContact N-O 3.36Å; D1002-T1005 PolarHBondContact O-N 2.99Å; D1002-T1005 PolarHBondContact O-OG1 2.83Å; N1003-T1005 PolarHBondContact O-N 2.79Å; T1005-Q1007 PolarHBondContact O-N 3.03Å; T1005-Q1007 PolarHBondContact OG1-NE2 2.99Å; T1005-Q1007 VanDerWaalsContact OG1-NE2 3.13Å |
| 1006 | P | 89.9 | Confident | 93.7 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 7% | 0.071 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 115.8 | 171.4 | 29.7 | -34.3 | 0 | 0 | 0 | 110.4 | F634 I694 L699 Y843 V999 | F634-P1006 HydrophobicContact CE1-CG 4.35Å; F634-P1006 HydrophobicContact CE2-CG 4.09Å; F634-P1006 HydrophobicContact CZ-CG 3.84Å; I694-P1006 HydrophobicContact CG2-CB 4Å; I694-P1006 HydrophobicContact CG2-CG 3.87Å; L699-P1006 HydrophobicContact CD1-CB 3.72Å; Y843-P1006 HydrophobicContact CD1-CB 4Å; Y843-P1006 HydrophobicContact CD1-CG 4.35Å; Y843-P1006 HydrophobicContact CD2-CG 4.31Å; Y843-P1006 HydrophobicContact CE1-CB 3.83Å; Y843-P1006 HydrophobicContact CE1-CG 3.78Å; Y843-P1006 HydrophobicContact CE2-CB 4.39Å; Y843-P1006 HydrophobicContact CE2-CG 3.78Å; Y843-P1006 HydrophobicContact CG-CB 4.33Å; Y843-P1006 VanDerWaalsContact CZ-CG 3.48Å; V999-P1006 HydrophobicContact CG1-CB 4.25Å |
| 1007 | Q | 91.7 | Very high | 93.8 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 29% | 0.29 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.2 | 178.9 | -61.6 | -165.3 | 9.7 | 0 | 0 | 111.2 | V999 A1000 D1002 T1005 V1009 | V999-Q1007 VanDerWaalsContact CA-O 3.3Å; V999-Q1007 WeakPolarHBondContact CA-O 3.36Å; A1000-Q1007 PolarHBondContact N-O 3.44Å; A1000-Q1007 VanDerWaalsContact N-O 3.08Å; A1000-Q1007 PolarHBondContact O-N 3.42Å; D1002-Q1007 HydrophobicContact CB-CB 4.48Å; D1002-Q1007 HydrophobicContact CB-CG 4.34Å; T1005-Q1007 PolarHBondContact O-N 3.03Å; T1005-Q1007 PolarHBondContact OG1-NE2 2.99Å; T1005-Q1007 VanDerWaalsContact OG1-NE2 3.13Å; Q1007-V1009 HydrophobicContact CB-CG1 3.82Å; Q1007-V1009 PolarHBondContact O-N 3.43Å |
| 1008 | Q | 94.2 | Very high | 94 | Very high | 64 Ų | 64 | 29.4 Ų | 29.4 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.2 | 169.2 | -172.8 | -179 | -45.4 | 0 | 0 | 107.9 | T900 K902 M998 V999 | T900-Q1008 PolarHBondContact O-NE2 2.92Å; K902-Q1008 VanDerWaalsContact CD-NE2 3.33Å; K902-Q1008 VanDerWaalsContact CG-NE2 3.31Å; M998-Q1008 CarbonylContact O-C 3.44Å; M998-Q1008 WeakPolarHBondContact O-CA 3.47Å; V999-Q1008 HydrophobicContact CG2-CB 4.42Å |
| 1009 | V | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | trans | -119.6 | 140.5 | -164.3 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | I702 G901 M998 A1000 Q1007 H1013 I1014 | I702-V1009 HydrophobicContact CD1-CB 4.29Å; I702-V1009 HydrophobicContact CD1-CG1 3.96Å; I702-V1009 HydrophobicContact CD1-CG2 4.14Å; G901-V1009 VanDerWaalsContact CA-O 3.3Å; G901-V1009 WeakPolarHBondContact CA-O 3.41Å; M998-V1009 VanDerWaalsContact CB-O 3.27Å; M998-V1009 WeakPolarHBondContact CB-O 3.42Å; M998-V1009 WeakPolarHBondContact CE-O 3.18Å; M998-V1009 PolarHBondContact O-N 2.96Å; A1000-V1009 HydrophobicContact CB-CG2 4.3Å; Q1007-V1009 HydrophobicContact CB-CG1 3.82Å; Q1007-V1009 PolarHBondContact O-N 3.43Å; V1009-H1013 HydrophobicContact CB-CB 4.3Å; V1009-H1013 WeakPolarHBondContact CG1-CD2 3.29Å; V1009-I1014 HydrophobicContact CB-CG1 4.15Å; V1009-I1014 HydrophobicContact CG2-CD1 3.96Å; V1009-I1014 HydrophobicContact CG2-CG1 3.64Å | ||
| 1010 | G | 96.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | -86.7 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y898 K1012 H1013 I1014 | Y898-G1010 CarbonylContact O-C 3.59Å; Y898-G1010 WeakPolarHBondContact O-CA 3.4Å; G1010-K1012 PolarHBondContact O-N 3.41Å; G1010-H1013 PolarHBondContact O-N 3.33Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.42Å; G1010-I1014 PolarHBondContact O-N 3.4Å; G1010-I1014 VanDerWaalsContact O-N 3.1Å | ||
| 1011 | L | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | -179.3 | 175 | 63.2 | 0 | 0 | 0 | 112 | L832 L870 I873 I877 Y898 I1014 L1015 | L832-L1011 HydrophobicContact CD1-CD1 3.58Å; L832-L1011 HydrophobicContact CD2-CD1 3.96Å; L832-L1011 HydrophobicContact CG-CD1 4.44Å; L870-L1011 HydrophobicContact CD1-CB 4.08Å; L870-L1011 HydrophobicContact CD1-CD2 4.15Å; I873-L1011 HydrophobicContact CG2-CD2 3.93Å; I873-L1011 HydrophobicContact CG2-CG 4.42Å; I877-L1011 HydrophobicContact CB-CD2 4.22Å; I877-L1011 HydrophobicContact CD1-CD1 4.12Å; I877-L1011 HydrophobicContact CD1-CD2 4.34Å; I877-L1011 HydrophobicContact CG2-CD2 4.28Å; Y898-L1011 HydrophobicContact CD1-CB 4.02Å; Y898-L1011 HydrophobicContact CD2-CB 4.26Å; Y898-L1011 HydrophobicContact CD2-CD2 3.62Å; Y898-L1011 HydrophobicContact CE2-CD2 3.76Å; Y898-L1011 HydrophobicContact CG-CB 3.8Å; Y898-L1011 HydrophobicContact CG-CD2 4.04Å; Y898-L1011 PolarHBondContact O-N 2.97Å; L1011-I1014 PolarHBondContact O-N 2.96Å; L1011-L1015 HydrophobicContact CD1-CD1 4.4Å; L1011-L1015 HydrophobicContact CD1-CG 4.49Å; L1011-L1015 HydrophobicContact CG-CD1 4.47Å; L1011-L1015 WeakPolarHBondContact O-CG 3.29Å; L1011-L1015 PolarHBondContact O-N 3.2Å |
| 1012 | K | 96.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 23% | 0.226 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | -179.1 | 180 | 172 | 173.2 | 166.9 | 0 | 111.3 | P866 A868 I873 G1010 I1014 L1015 E1016 | P866-K1012 PolarHBondContact O-NZ 3.13Å; A868-K1012 PolarHBondContact O-NZ 3.39Å; I873-K1012 HydrophobicContact CD1-CB 3.97Å; I873-K1012 HydrophobicContact CD1-CD 4.12Å; I873-K1012 HydrophobicContact CD1-CG 3.92Å; G1010-K1012 PolarHBondContact O-N 3.41Å; K1012-I1014 PolarHBondContact O-N 3.13Å; K1012-L1015 PolarHBondContact O-N 3.23Å; K1012-L1015 VanDerWaalsContact O-N 3.16Å; K1012-E1016 WeakPolarHBondContact CE-OE1 3.46Å; K1012-E1016 HydrophobicContact CG-CG 4.29Å; K1012-E1016 IonicContact NZ-OE1 3.89Å; K1012-E1016 WeakPolarHBondContact O-CG 3.47Å; K1012-E1016 PolarHBondContact O-N 3.03Å |
| 1013 | H | 96.9 | Very high | 94.6 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 28% | 0.282 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 178.8 | -169.4 | 107 | 0 | 0 | 0 | 111.7 | D1002 V1009 G1010 L1015 E1016 S1017 | D1002-H1013 IonicContact OD2-CD2 4Å; D1002-H1013 IonicContact OD2-CE1 3.04Å; D1002-H1013 IonicContact OD2-NE2 2.62Å; D1002-H1013 PolarHBondContact OD2-NE2 3.42Å; V1009-H1013 HydrophobicContact CB-CB 4.3Å; V1009-H1013 WeakPolarHBondContact CG1-CD2 3.29Å; G1010-H1013 PolarHBondContact O-N 3.33Å; H1013-L1015 VanDerWaalsContact C-N 3.33Å; H1013-L1015 PolarHBondContact O-N 3.42Å; H1013-E1016 PolarHBondContact O-N 3.27Å; H1013-S1017 PolarHBondContact O-N 3.23Å; H1013-S1017 PolarHBondContact O-OG 2.96Å |
| 1014 | I | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 176.5 | -67.2 | 165.2 | 0 | 0 | 0 | 111.4 | I702 L831 L832 V1009 G1010 L1011 K1012 Y1018 | I702-I1014 HydrophobicContact CD1-CG1 4.12Å; I702-I1014 HydrophobicContact CG1-CG1 4.32Å; I702-I1014 HydrophobicContact CG1-CG2 4.48Å; L831-I1014 HydrophobicContact CD2-CD1 4.4Å; L831-I1014 HydrophobicContact CD2-CG1 4.3Å; L831-I1014 HydrophobicContact CD2-CG2 4Å; L832-I1014 HydrophobicContact CD1-CG2 3.96Å; L832-I1014 HydrophobicContact CD2-CD1 3.89Å; L832-I1014 HydrophobicContact CD2-CG2 4.18Å; L832-I1014 HydrophobicContact CG-CG2 3.81Å; V1009-I1014 HydrophobicContact CB-CG1 4.15Å; V1009-I1014 HydrophobicContact CG2-CD1 3.96Å; V1009-I1014 HydrophobicContact CG2-CG1 3.64Å; G1010-I1014 WeakPolarHBondContact O-CG1 3.42Å; G1010-I1014 PolarHBondContact O-N 3.4Å; G1010-I1014 VanDerWaalsContact O-N 3.1Å; L1011-I1014 PolarHBondContact O-N 2.96Å; K1012-I1014 PolarHBondContact O-N 3.13Å; I1014-Y1018 VanDerWaalsContact O-CB 3.32Å; I1014-Y1018 WeakPolarHBondContact O-CB 3.49Å; I1014-Y1018 PolarHBondContact O-N 2.95Å |
| 1015 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 179.7 | -65.4 | 179.2 | 0 | 0 | 0 | 112.2 | P829 L832 T859 L862 I873 I877 L1011 K1012 H1013 Y1018 I1019 | P829-L1015 HydrophobicContact CB-CD2 4.45Å; P829-L1015 HydrophobicContact CG-CD2 4.4Å; L832-L1015 HydrophobicContact CD1-CD2 3.54Å; L832-L1015 HydrophobicContact CD1-CG 4.09Å; T859-L1015 WeakPolarHBondContact OG1-CD2 3.42Å; L862-L1015 HydrophobicContact CD2-CB 3.49Å; L862-L1015 VanDerWaalsContact CD2-CB 3.49Å; L862-L1015 HydrophobicContact CD2-CD1 4.22Å; I873-L1015 HydrophobicContact CG2-CD1 3.98Å; I877-L1015 HydrophobicContact CD1-CD1 3.98Å; L1011-L1015 HydrophobicContact CD1-CD1 4.4Å; L1011-L1015 HydrophobicContact CD1-CG 4.49Å; L1011-L1015 HydrophobicContact CG-CD1 4.47Å; L1011-L1015 WeakPolarHBondContact O-CG 3.29Å; L1011-L1015 PolarHBondContact O-N 3.2Å; K1012-L1015 PolarHBondContact O-N 3.23Å; K1012-L1015 VanDerWaalsContact O-N 3.16Å; H1013-L1015 VanDerWaalsContact C-N 3.33Å; H1013-L1015 PolarHBondContact O-N 3.42Å; L1015-Y1018 PolarHBondContact O-N 3.32Å; L1015-I1019 WeakPolarHBondContact O-CB 3.41Å; L1015-I1019 WeakPolarHBondContact O-CD1 3.44Å; L1015-I1019 WeakPolarHBondContact O-CG1 3.31Å; L1015-I1019 PolarHBondContact O-N 3.19Å |
| 1016 | E | 97.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 176.9 | -72.8 | 174.7 | 152.5 | 0 | 0 | 111.6 | L862 K1012 H1013 Y1018 I1019 L1020 | L862-E1016 HydrophobicContact CD2-CG 4.02Å; K1012-E1016 WeakPolarHBondContact CE-OE1 3.46Å; K1012-E1016 HydrophobicContact CG-CG 4.29Å; K1012-E1016 IonicContact NZ-OE1 3.89Å; K1012-E1016 WeakPolarHBondContact O-CG 3.47Å; K1012-E1016 PolarHBondContact O-N 3.03Å; H1013-E1016 PolarHBondContact O-N 3.27Å; E1016-Y1018 VanDerWaalsContact C-N 3.3Å; E1016-Y1018 PolarHBondContact O-N 3.42Å; E1016-I1019 PolarHBondContact O-N 3.25Å; E1016-L1020 WeakPolarHBondContact O-CB 3.43Å; E1016-L1020 PolarHBondContact O-N 3.29Å |
| 1017 | S | 97 | Very high | 96.5 | Very high | 19 Ų | 19 | 32 Ų | 32 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | D1002 H1013 H1021 | D1002-S1017 PolarHBondContact OD2-OG 3.2Å; D1002-S1017 VanDerWaalsContact OD2-OG 3.08Å; H1013-S1017 PolarHBondContact O-N 3.23Å; H1013-S1017 PolarHBondContact O-OG 2.96Å; S1017-H1021 WeakPolarHBondContact O-CB 3.48Å; S1017-H1021 PolarHBondContact O-N 2.82Å |
| 1018 | Y | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 173.2 | 172.6 | -95.6 | 0 | 0 | 0 | 113 | A826 A827 Y828 P829 T859 I1014 L1015 E1016 L1020 H1021 R1022 | A826-Y1018 HydrophobicContact CB-CE2 4.39Å; A826-Y1018 WeakPolarHBondContact O-CE2 3.07Å; A826-Y1018 PolarHBondContact O-OH 3.07Å; A827-Y1018 PolarHBondContact O-OH 3.45Å; Y828-Y1018 VanDerWaalsContact C-CE2 3.4Å; Y828-Y1018 VanDerWaalsContact C-CZ 3.45Å; Y828-Y1018 WeakPolarHBondContact CA-OH 3.47Å; Y828-Y1018 PolarHBondContact N-OH 2.81Å; Y828-Y1018 WeakPolarHBondContact O-CE2 3.37Å; P829-Y1018 HydrophobicContact CB-CD1 4.12Å; P829-Y1018 HydrophobicContact CB-CD2 4.09Å; P829-Y1018 HydrophobicContact CB-CE1 4.37Å; P829-Y1018 HydrophobicContact CB-CE2 4.34Å; P829-Y1018 HydrophobicContact CB-CG 3.98Å; P829-Y1018 HydrophobicContact CG-CD1 3.65Å; P829-Y1018 HydrophobicContact CG-CD2 4.34Å; P829-Y1018 HydrophobicContact CG-CE1 3.6Å; P829-Y1018 HydrophobicContact CG-CE2 4.3Å; P829-Y1018 HydrophobicContact CG-CG 4.04Å; T859-Y1018 HydrophobicContact CG2-CD1 4.1Å; T859-Y1018 HydrophobicContact CG2-CE1 4.13Å; I1014-Y1018 VanDerWaalsContact O-CB 3.32Å; I1014-Y1018 WeakPolarHBondContact O-CB 3.49Å; I1014-Y1018 PolarHBondContact O-N 2.95Å; L1015-Y1018 PolarHBondContact O-N 3.32Å; E1016-Y1018 VanDerWaalsContact C-N 3.3Å; E1016-Y1018 PolarHBondContact O-N 3.42Å; Y1018-L1020 VanDerWaalsContact C-N 3.31Å; Y1018-L1020 PolarHBondContact O-N 2.84Å; Y1018-H1021 WeakPolarHBondContact O-CB 3.18Å; Y1018-H1021 PolarHBondContact O-N 2.76Å; Y1018-R1022 HydrophobicContact CE1-CG 4.12Å; Y1018-R1022 HydrophobicContact CE2-CG 4.12Å; Y1018-R1022 PolarHBondContact O-N 3.38Å; Y1018-R1022 WeakPolarHBondContact OH-CG 3.08Å |
| 1019 | I | 97.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.8 | -71.2 | 161.2 | 0 | 0 | 0 | 109.6 | T859 L862 I863 L1015 E1016 H1021 R1022 K1023 L1132 | T859-I1019 HydrophobicContact CG2-CD1 4.14Å; T859-I1019 HydrophobicContact CG2-CG1 3.86Å; L862-I1019 HydrophobicContact CB-CD1 4.14Å; L862-I1019 HydrophobicContact CD2-CD1 3.89Å; L862-I1019 HydrophobicContact CG-CD1 4Å; I863-I1019 HydrophobicContact CD1-CG1 4.35Å; I863-I1019 HydrophobicContact CG1-CD1 3.7Å; I863-I1019 HydrophobicContact CG1-CG1 3.87Å; I863-I1019 HydrophobicContact CG1-CG2 4.12Å; L1015-I1019 WeakPolarHBondContact O-CB 3.41Å; L1015-I1019 WeakPolarHBondContact O-CD1 3.44Å; L1015-I1019 WeakPolarHBondContact O-CG1 3.31Å; L1015-I1019 PolarHBondContact O-N 3.19Å; E1016-I1019 PolarHBondContact O-N 3.25Å; I1019-H1021 PolarHBondContact O-N 3.12Å; I1019-R1022 PolarHBondContact O-N 3.43Å; I1019-K1023 HydrophobicContact CG2-CD 4.12Å; I1019-K1023 HydrophobicContact CG2-CG 4.39Å; I1019-K1023 VanDerWaalsContact O-CG 3.28Å; I1019-K1023 WeakPolarHBondContact O-CG 3.39Å; I1019-K1023 PolarHBondContact O-N 3.41Å; I1019-L1132 HydrophobicContact CG2-CD2 4.31Å |
| 1020 | L | 96.8 | Very high | 96.9 | Very high | 127 Ų | 127 | 29.1 Ų | 29.1 | 67% | 0.665 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -61.1 | -44.2 | 178.2 | -169.9 | 136.1 | 0 | 0 | 0 | 111.6 | E1016 Y1018 K1023 D1024 | E1016-L1020 WeakPolarHBondContact O-CB 3.43Å; E1016-L1020 PolarHBondContact O-N 3.29Å; Y1018-L1020 VanDerWaalsContact C-N 3.31Å; Y1018-L1020 PolarHBondContact O-N 2.84Å; L1020-K1023 WeakPolarHBondContact O-CB 3.35Å; L1020-K1023 PolarHBondContact O-N 3.43Å; L1020-D1024 PolarHBondContact O-N 2.6Å; L1020-D1024 VanDerWaalsContact O-N 3.13Å |
| 1021 | H | 97.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.046 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -51.7 | 172.1 | 177.9 | 60.5 | 0 | 0 | 0 | 111.9 | R703 L824 S1017 Y1018 I1019 K1023 D1024 V1025 | R703-H1021 HydrophobicContact CB-CB 4Å; R703-H1021 HydrophobicContact CG-CB 3.93Å; L824-H1021 PolarHBondContact O-NE2 3.11Å; S1017-H1021 WeakPolarHBondContact O-CB 3.48Å; S1017-H1021 PolarHBondContact O-N 2.82Å; Y1018-H1021 WeakPolarHBondContact O-CB 3.18Å; Y1018-H1021 PolarHBondContact O-N 2.76Å; I1019-H1021 PolarHBondContact O-N 3.12Å; H1021-K1023 VanDerWaalsContact C-N 3.26Å; H1021-K1023 PolarHBondContact O-N 3.48Å; H1021-D1024 WeakPolarHBondContact O-CB 3.46Å; H1021-D1024 PolarHBondContact O-N 3.13Å; H1021-D1024 VanDerWaalsContact O-N 3.08Å; H1021-V1025 VanDerWaalsContact CE1-CG2 3.43Å; H1021-V1025 WeakPolarHBondContact CE1-CG2 3.42Å; H1021-V1025 VanDerWaalsContact O-CG2 3.28Å; H1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; H1021-V1025 PolarHBondContact O-N 3.32Å |
| 1022 | R | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -31.3 | 178.8 | -91.1 | -50.3 | -70.1 | 153.9 | -14.3 | 113.6 | P825 A826 Y1018 I1019 V1025 I1026 L1132 E1135 | P825-R1022 VanDerWaalsContact O-CD 3.24Å; P825-R1022 WeakPolarHBondContact O-CD 3.28Å; A826-R1022 WeakPolarHBondContact O-CD 3.28Å; Y1018-R1022 HydrophobicContact CE1-CG 4.12Å; Y1018-R1022 HydrophobicContact CE2-CG 4.12Å; Y1018-R1022 PolarHBondContact O-N 3.38Å; Y1018-R1022 WeakPolarHBondContact OH-CG 3.08Å; I1019-R1022 PolarHBondContact O-N 3.43Å; R1022-V1025 PolarHBondContact O-N 2.86Å; R1022-I1026 WeakPolarHBondContact O-CB 3.47Å; R1022-I1026 VanDerWaalsContact O-CG1 3.26Å; R1022-I1026 WeakPolarHBondContact O-CG1 3.36Å; R1022-I1026 PolarHBondContact O-N 3.28Å; R1022-L1132 HydrophobicContact CB-CD1 3.62Å; R1022-L1132 HydrophobicContact CB-CD2 4.33Å; R1022-L1132 HydrophobicContact CG-CD1 3.92Å; R1022-E1135 IonicContact CZ-OE2 3.71Å; R1022-E1135 IonicContact NE-OE2 3.74Å; R1022-E1135 IonicContact NH2-OE1 2.96Å; R1022-E1135 IonicContact NH2-OE2 3.78Å; R1022-E1135 PolarHBondContact NH2-OE2 2.88Å |
| 1023 | K | 96.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.8 | -71.3 | 174.4 | 70 | 174.9 | 0 | 111.3 | I1019 L1020 H1021 T1027 E1125 L1128 | I1019-K1023 HydrophobicContact CG2-CD 4.12Å; I1019-K1023 HydrophobicContact CG2-CG 4.39Å; I1019-K1023 VanDerWaalsContact O-CG 3.28Å; I1019-K1023 WeakPolarHBondContact O-CG 3.39Å; I1019-K1023 PolarHBondContact O-N 3.41Å; L1020-K1023 WeakPolarHBondContact O-CB 3.35Å; L1020-K1023 PolarHBondContact O-N 3.43Å; H1021-K1023 VanDerWaalsContact C-N 3.26Å; H1021-K1023 PolarHBondContact O-N 3.48Å; K1023-T1027 WeakPolarHBondContact O-CB 3.42Å; K1023-T1027 PolarHBondContact O-N 3.26Å; K1023-T1027 PolarHBondContact O-OG1 3.27Å; K1023-E1125 IonicContact NZ-OE1 2.83Å; K1023-E1125 PolarHBondContact NZ-OE1 2.98Å; K1023-L1128 HydrophobicContact CB-CD2 4.12Å; K1023-L1128 HydrophobicContact CG-CD2 3.72Å |
| 1024 | D | 96.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 35% | 0.348 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 176.2 | -174.9 | 51 | 0 | 0 | 0 | 111.3 | L1020 H1021 I1026 T1027 K1028 | L1020-D1024 PolarHBondContact O-N 2.6Å; L1020-D1024 VanDerWaalsContact O-N 3.13Å; H1021-D1024 WeakPolarHBondContact O-CB 3.46Å; H1021-D1024 PolarHBondContact O-N 3.13Å; H1021-D1024 VanDerWaalsContact O-N 3.08Å; D1024-I1026 PolarHBondContact O-N 3.08Å; D1024-T1027 WeakPolarHBondContact O-CB 3.33Å; D1024-T1027 PolarHBondContact O-N 3.37Å; D1024-T1027 VanDerWaalsContact O-N 3.08Å; D1024-K1028 PolarHBondContact O-N 2.67Å; D1024-K1028 WeakPolarHBondContact OD1-CE 3.4Å; D1024-K1028 IonicContact OD1-NZ 3.9Å; D1024-K1028 WeakPolarHBondContact OD2-CE 3.24Å; D1024-K1028 IonicContact OD2-NZ 2.56Å; D1024-K1028 PolarHBondContact OD2-NZ 2.75Å |
| 1025 | V | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | T807 V808 P825 H1021 R1022 R1029 | T807-V1025 HydrophobicContact CG2-CG1 4.19Å; V808-V1025 HydrophobicContact CG1-CG2 4.23Å; P825-V1025 HydrophobicContact CB-CG1 3.78Å; P825-V1025 HydrophobicContact CG-CG1 4.46Å; H1021-V1025 VanDerWaalsContact CE1-CG2 3.43Å; H1021-V1025 WeakPolarHBondContact CE1-CG2 3.42Å; H1021-V1025 VanDerWaalsContact O-CG2 3.28Å; H1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; H1021-V1025 PolarHBondContact O-N 3.32Å; R1022-V1025 PolarHBondContact O-N 2.86Å; V1025-R1029 VanDerWaalsContact O-CB 3.23Å; V1025-R1029 WeakPolarHBondContact O-CB 3.35Å; V1025-R1029 PolarHBondContact O-N 2.84Å |
| 1026 | I | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.9 | -68.5 | 169.6 | 0 | 0 | 0 | 110.7 | R1022 D1024 R1029 S1030 I1121 L1128 V1131 L1132 | R1022-I1026 WeakPolarHBondContact O-CB 3.47Å; R1022-I1026 VanDerWaalsContact O-CG1 3.26Å; R1022-I1026 WeakPolarHBondContact O-CG1 3.36Å; R1022-I1026 PolarHBondContact O-N 3.28Å; D1024-I1026 PolarHBondContact O-N 3.08Å; I1026-R1029 PolarHBondContact O-N 2.93Å; I1026-S1030 WeakPolarHBondContact O-CB 3.36Å; I1026-S1030 PolarHBondContact O-N 2.83Å; I1026-S1030 PolarHBondContact O-OG 2.8Å; I1026-I1121 HydrophobicContact CG2-CG2 4.16Å; I1026-L1128 HydrophobicContact CB-CG 4.49Å; I1026-L1128 HydrophobicContact CG2-CD1 4.38Å; I1026-L1128 HydrophobicContact CG2-CG 3.99Å; I1026-V1131 HydrophobicContact CD1-CG1 4.42Å; I1026-V1131 HydrophobicContact CG2-CG1 4.43Å; I1026-L1132 HydrophobicContact CD1-CB 3.7Å; I1026-L1132 HydrophobicContact CD1-CD1 3.96Å; I1026-L1132 HydrophobicContact CD1-CG 4.36Å |
| 1027 | T | 96.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 23% | 0.233 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -51.7 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | K1023 D1024 R1029 S1030 Q1031 L1122 L1128 | K1023-T1027 WeakPolarHBondContact O-CB 3.42Å; K1023-T1027 PolarHBondContact O-N 3.26Å; K1023-T1027 PolarHBondContact O-OG1 3.27Å; D1024-T1027 WeakPolarHBondContact O-CB 3.33Å; D1024-T1027 PolarHBondContact O-N 3.37Å; D1024-T1027 VanDerWaalsContact O-N 3.08Å; T1027-R1029 PolarHBondContact O-N 3.04Å; T1027-S1030 PolarHBondContact O-N 2.96Å; T1027-Q1031 WeakPolarHBondContact O-CG 3.49Å; T1027-Q1031 PolarHBondContact O-N 2.95Å; T1027-L1122 HydrophobicContact CG2-CD2 3.91Å; T1027-L1122 WeakPolarHBondContact O-CD2 3.46Å; T1027-L1128 WeakPolarHBondContact OG1-CD1 3.01Å |
| 1028 | K | 96.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.9 | -73.1 | 175.4 | 174.4 | 167.6 | 0 | 111.7 | T807 D809 D1024 S1030 Q1031 Y1032 | T807-K1028 WeakPolarHBondContact O-CD 3.39Å; D809-K1028 IonicContact OD1-NZ 2.79Å; D809-K1028 PolarHBondContact OD1-NZ 3.47Å; D1024-K1028 PolarHBondContact O-N 2.67Å; D1024-K1028 WeakPolarHBondContact OD1-CE 3.4Å; D1024-K1028 IonicContact OD1-NZ 3.9Å; D1024-K1028 WeakPolarHBondContact OD2-CE 3.24Å; D1024-K1028 IonicContact OD2-NZ 2.56Å; D1024-K1028 PolarHBondContact OD2-NZ 2.75Å; K1028-S1030 PolarHBondContact O-N 3.07Å; K1028-Q1031 PolarHBondContact O-N 2.85Å; K1028-Y1032 WeakPolarHBondContact O-CB 3.39Å; K1028-Y1032 PolarHBondContact O-N 2.98Å |
| 1029 | R | 96.2 | Very high | 96.1 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 174 | -179.4 | -178.3 | 72.3 | -168.3 | 1.5 | 111.6 | D802 K805 T807 V1025 I1026 T1027 Q1031 Y1032 E1033 E1135 | D802-R1029 HydrophobicContact CB-CG 4.39Å; D802-R1029 WeakPolarHBondContact OD2-CD 3.35Å; D802-R1029 IonicContact OD2-CZ 2.77Å; D802-R1029 IonicContact OD2-NE 3.14Å; D802-R1029 IonicContact OD2-NH1 3.92Å; D802-R1029 PolarHBondContact OD2-NH1 2.88Å; K805-R1029 HydrophobicContact CD-CG 3.87Å; T807-R1029 HydrophobicContact CG2-CB 3.76Å; V1025-R1029 VanDerWaalsContact O-CB 3.23Å; V1025-R1029 WeakPolarHBondContact O-CB 3.35Å; V1025-R1029 PolarHBondContact O-N 2.84Å; I1026-R1029 PolarHBondContact O-N 2.93Å; T1027-R1029 PolarHBondContact O-N 3.04Å; R1029-Q1031 VanDerWaalsContact C-N 3.31Å; R1029-Q1031 PolarHBondContact O-N 2.89Å; R1029-Y1032 WeakPolarHBondContact O-CB 3.42Å; R1029-Y1032 PolarHBondContact O-N 2.92Å; R1029-E1033 HydrophobicContact CG-CG 4.41Å; R1029-E1033 WeakPolarHBondContact O-CB 3.45Å; R1029-E1033 WeakPolarHBondContact O-CG 3.27Å; R1029-E1033 PolarHBondContact O-N 2.85Å; R1029-E1135 IonicContact CZ-OE1 2.99Å; R1029-E1135 IonicContact NH1-OE1 2.71Å; R1029-E1135 PolarHBondContact NH1-OE1 3.36Å; R1029-E1135 IonicContact NH1-OE2 3.8Å; R1029-E1135 IonicContact NH2-OE1 2.85Å; R1029-E1135 PolarHBondContact NH2-OE1 3.4Å |
| 1030 | S | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -32.3 | -178.7 | -70 | 0 | 0 | 0 | 0 | 112.2 | I1026 T1027 K1028 L1034 | I1026-S1030 WeakPolarHBondContact O-CB 3.36Å; I1026-S1030 PolarHBondContact O-N 2.83Å; I1026-S1030 PolarHBondContact O-OG 2.8Å; T1027-S1030 PolarHBondContact O-N 2.96Å; K1028-S1030 PolarHBondContact O-N 3.07Å; S1030-L1034 WeakPolarHBondContact O-CB 3.34Å; S1030-L1034 PolarHBondContact O-N 2.97Å |
| 1031 | Q | 95.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 171.6 | -73.4 | 171 | -7.2 | 0 | 0 | 112 | T1027 K1028 R1029 L1034 A1035 L1122 | T1027-Q1031 WeakPolarHBondContact O-CG 3.49Å; T1027-Q1031 PolarHBondContact O-N 2.95Å; K1028-Q1031 PolarHBondContact O-N 2.85Å; R1029-Q1031 VanDerWaalsContact C-N 3.31Å; R1029-Q1031 PolarHBondContact O-N 2.89Å; Q1031-L1034 PolarHBondContact O-N 3.43Å; Q1031-A1035 WeakPolarHBondContact O-CB 3.45Å; Q1031-A1035 PolarHBondContact O-N 2.78Å; Q1031-L1122 HydrophobicContact CG-CD1 4.05Å; Q1031-L1122 HydrophobicContact CG-CD2 3.8Å |
| 1032 | Y | 96.4 | Very high | 95.7 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -49.6 | 176.7 | -180 | -83 | 0 | 0 | 0 | 111.5 | K805 D806 K1028 R1029 L1034 A1035 K1036 | K805-Y1032 HydrophobicContact CB-CD1 3.64Å; K805-Y1032 HydrophobicContact CB-CD2 4.35Å; K805-Y1032 HydrophobicContact CB-CE1 4.05Å; K805-Y1032 HydrophobicContact CB-CG 3.82Å; K805-Y1032 HydrophobicContact CD-CD1 4.39Å; K805-Y1032 HydrophobicContact CG-CD1 3.86Å; K805-Y1032 HydrophobicContact CG-CE1 3.94Å; K805-Y1032 WeakPolarHBondContact O-CB 3.43Å; D806-Y1032 HydrophobicContact CB-CD2 4.35Å; K1028-Y1032 WeakPolarHBondContact O-CB 3.39Å; K1028-Y1032 PolarHBondContact O-N 2.98Å; R1029-Y1032 WeakPolarHBondContact O-CB 3.42Å; R1029-Y1032 PolarHBondContact O-N 2.92Å; Y1032-L1034 VanDerWaalsContact C-N 3.32Å; Y1032-L1034 PolarHBondContact O-N 2.87Å; Y1032-A1035 PolarHBondContact O-N 2.93Å; Y1032-K1036 HydrophobicContact CE1-CD 4.42Å; Y1032-K1036 WeakPolarHBondContact O-CB 3.43Å; Y1032-K1036 PolarHBondContact O-N 2.8Å |
| 1033 | E | 95.7 | Very high | 95.5 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.3 | -72.5 | 176.2 | 167.6 | 0 | 0 | 111.2 | K805 R1029 K1036 A1037 L1118 | K805-E1033 HydrophobicContact CD-CG 4.39Å; K805-E1033 IonicContact NZ-OE1 3.74Å; K805-E1033 PolarHBondContact NZ-OE1 3Å; R1029-E1033 HydrophobicContact CG-CG 4.41Å; R1029-E1033 WeakPolarHBondContact O-CB 3.45Å; R1029-E1033 WeakPolarHBondContact O-CG 3.27Å; R1029-E1033 PolarHBondContact O-N 2.85Å; E1033-K1036 PolarHBondContact O-N 3.23Å; E1033-A1037 VanDerWaalsContact O-CB 3.26Å; E1033-A1037 WeakPolarHBondContact O-CB 3.37Å; E1033-A1037 PolarHBondContact O-N 2.77Å; E1033-L1118 HydrophobicContact CB-CD1 3.86Å; E1033-L1118 HydrophobicContact CB-CD2 4Å |
| 1034 | L | 96.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.4 | 178.1 | 66 | 0 | 0 | 0 | 111.1 | S1030 Q1031 Y1032 K1036 A1037 Q1038 I1115 L1118 L1122 | S1030-L1034 WeakPolarHBondContact O-CB 3.34Å; S1030-L1034 PolarHBondContact O-N 2.97Å; Q1031-L1034 PolarHBondContact O-N 3.43Å; Y1032-L1034 VanDerWaalsContact C-N 3.32Å; Y1032-L1034 PolarHBondContact O-N 2.87Å; L1034-K1036 VanDerWaalsContact C-N 3.3Å; L1034-K1036 PolarHBondContact O-N 2.9Å; L1034-A1037 PolarHBondContact O-N 2.94Å; L1034-Q1038 HydrophobicContact CD1-CG 3.98Å; L1034-Q1038 HydrophobicContact CG-CG 4.3Å; L1034-Q1038 VanDerWaalsContact O-CB 3.29Å; L1034-Q1038 WeakPolarHBondContact O-CB 3.22Å; L1034-Q1038 VanDerWaalsContact O-CG 3.25Å; L1034-Q1038 WeakPolarHBondContact O-CG 3.43Å; L1034-Q1038 PolarHBondContact O-N 3.23Å; L1034-I1115 HydrophobicContact CD1-CB 4.3Å; L1034-I1115 HydrophobicContact CD1-CG1 4.23Å; L1034-I1115 HydrophobicContact CD1-CG2 3.85Å; L1034-L1118 HydrophobicContact CB-CB 4.23Å; L1034-L1118 HydrophobicContact CB-CD1 4.19Å; L1034-L1118 HydrophobicContact CD1-CB 4.15Å; L1034-L1122 HydrophobicContact CB-CD1 4.48Å; L1034-L1122 HydrophobicContact CD2-CD1 3.68Å |
| 1035 | A | 95.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1031 Y1032 K1039 | Q1031-A1035 WeakPolarHBondContact O-CB 3.45Å; Q1031-A1035 PolarHBondContact O-N 2.78Å; Y1032-A1035 PolarHBondContact O-N 2.93Å; A1035-K1039 VanDerWaalsContact O-CB 3.29Å; A1035-K1039 WeakPolarHBondContact O-CB 3.29Å; A1035-K1039 PolarHBondContact O-N 3.34Å |
| 1036 | K | 94.7 | Very high | 94.8 | Very high | 144 Ų | 144 | 51.1 Ų | 51.1 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.1 | -45.5 | 176.2 | -174.7 | -179.2 | 177 | -175 | 0 | 112 | Y1032 E1033 L1034 K1039 R1040 | Y1032-K1036 HydrophobicContact CE1-CD 4.42Å; Y1032-K1036 WeakPolarHBondContact O-CB 3.43Å; Y1032-K1036 PolarHBondContact O-N 2.8Å; E1033-K1036 PolarHBondContact O-N 3.23Å; L1034-K1036 VanDerWaalsContact C-N 3.3Å; L1034-K1036 PolarHBondContact O-N 2.9Å; K1036-K1039 PolarHBondContact O-N 2.79Å; K1036-R1040 PolarHBondContact O-N 3.22Å |
| 1037 | A | 94.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1033 L1034 K1039 R1040 Q1041 L1111 I1115 | E1033-A1037 VanDerWaalsContact O-CB 3.26Å; E1033-A1037 WeakPolarHBondContact O-CB 3.37Å; E1033-A1037 PolarHBondContact O-N 2.77Å; L1034-A1037 PolarHBondContact O-N 2.94Å; A1037-K1039 VanDerWaalsContact C-N 3.35Å; A1037-K1039 PolarHBondContact O-N 2.95Å; A1037-R1040 CarbonylContact O-C 3.29Å; A1037-R1040 PolarHBondContact O-N 2.9Å; A1037-R1040 VanDerWaalsContact O-N 3.13Å; A1037-Q1041 WeakPolarHBondContact O-CB 3.12Å; A1037-Q1041 PolarHBondContact O-N 3.07Å; A1037-L1111 HydrophobicContact CB-CD2 4.19Å; A1037-I1115 HydrophobicContact CB-CD1 4.09Å; A1037-I1115 HydrophobicContact CB-CG1 3.65Å |
| 1038 | Q | 94.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.2 | -74.7 | 175.7 | -20.1 | 0 | 0 | 111.8 | L1034 R1040 Q1041 H1042 I1115 H1119 | L1034-Q1038 HydrophobicContact CD1-CG 3.98Å; L1034-Q1038 HydrophobicContact CG-CG 4.3Å; L1034-Q1038 VanDerWaalsContact O-CB 3.29Å; L1034-Q1038 WeakPolarHBondContact O-CB 3.22Å; L1034-Q1038 VanDerWaalsContact O-CG 3.25Å; L1034-Q1038 WeakPolarHBondContact O-CG 3.43Å; L1034-Q1038 PolarHBondContact O-N 3.23Å; Q1038-R1040 VanDerWaalsContact C-N 3.32Å; Q1038-R1040 PolarHBondContact O-N 2.98Å; Q1038-Q1041 PolarHBondContact O-N 2.81Å; Q1038-H1042 WeakPolarHBondContact O-CB 3.45Å; Q1038-H1042 PolarHBondContact O-N 3.47Å; Q1038-I1115 HydrophobicContact CG-CD1 4Å; Q1038-I1115 HydrophobicContact CG-CG1 4.34Å; Q1038-H1119 PolarHBondContact NE2-NE2 3.44Å |
| 1039 | K | 93.8 | Very high | 93.9 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 51% | 0.509 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.9 | -175.8 | 169.3 | -172.4 | 151.1 | 0 | 111.5 | A1035 K1036 A1037 I1043 E1083 | A1035-K1039 VanDerWaalsContact O-CB 3.29Å; A1035-K1039 WeakPolarHBondContact O-CB 3.29Å; A1035-K1039 PolarHBondContact O-N 3.34Å; K1036-K1039 PolarHBondContact O-N 2.79Å; A1037-K1039 VanDerWaalsContact C-N 3.35Å; A1037-K1039 PolarHBondContact O-N 2.95Å; K1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; K1039-I1043 PolarHBondContact O-N 3.09Å; K1039-E1083 WeakPolarHBondContact CE-OE1 3.47Å; K1039-E1083 IonicContact NZ-OE1 3.21Å; K1039-E1083 PolarHBondContact NZ-OE1 3.35Å; K1039-E1083 IonicContact NZ-OE2 2.72Å |
| 1040 | R | 95.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.3 | -43.5 | 177.8 | -174.9 | 61.5 | 179.1 | 152.3 | 10.1 | 111.9 | K1036 A1037 Q1038 H1042 I1043 V1044 E1107 L1111 | K1036-R1040 PolarHBondContact O-N 3.22Å; A1037-R1040 CarbonylContact O-C 3.29Å; A1037-R1040 PolarHBondContact O-N 2.9Å; A1037-R1040 VanDerWaalsContact O-N 3.13Å; Q1038-R1040 VanDerWaalsContact C-N 3.32Å; Q1038-R1040 PolarHBondContact O-N 2.98Å; R1040-H1042 VanDerWaalsContact C-N 3.31Å; R1040-H1042 PolarHBondContact O-N 2.94Å; R1040-I1043 WeakPolarHBondContact O-CB 3.28Å; R1040-I1043 PolarHBondContact O-N 3.08Å; R1040-I1043 VanDerWaalsContact O-N 3.11Å; R1040-V1044 HydrophobicContact CG-CG2 4.3Å; R1040-V1044 WeakPolarHBondContact O-CG2 3.45Å; R1040-V1044 PolarHBondContact O-N 3.14Å; R1040-E1107 IonicContact CZ-OE1 3.29Å; R1040-E1107 IonicContact CZ-OE2 3.98Å; R1040-E1107 IonicContact NE-OE1 2.66Å; R1040-E1107 PolarHBondContact NE-OE1 3.39Å; R1040-E1107 VanDerWaalsContact NH2-CD 3.28Å; R1040-E1107 IonicContact NH2-OE1 2.96Å; R1040-E1107 PolarHBondContact NH2-OE1 3.23Å; R1040-E1107 IonicContact NH2-OE2 3.74Å; R1040-E1107 PolarHBondContact NH2-OE2 2.99Å; R1040-L1111 HydrophobicContact CB-CD1 4.16Å; R1040-L1111 HydrophobicContact CB-CD2 4.12Å; R1040-L1111 HydrophobicContact CG-CD1 3.66Å; R1040-L1111 HydrophobicContact CG-CD2 4.12Å |
| 1041 | Q | 94.7 | Very high | 93 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 23% | 0.229 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.4 | -48.1 | 176.1 | -175.7 | -170.2 | 10.1 | 0 | 0 | 110.4 | A1037 Q1038 I1043 V1044 E1045 L1111 I1115 | A1037-Q1041 WeakPolarHBondContact O-CB 3.12Å; A1037-Q1041 PolarHBondContact O-N 3.07Å; Q1038-Q1041 PolarHBondContact O-N 2.81Å; Q1041-I1043 VanDerWaalsContact C-N 3.28Å; Q1041-I1043 PolarHBondContact O-N 2.94Å; Q1041-V1044 PolarHBondContact O-N 2.97Å; Q1041-V1044 VanDerWaalsContact O-N 3.11Å; Q1041-E1045 HydrophobicContact CG-CG 4.29Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.5Å; Q1041-E1045 PolarHBondContact NE2-OE1 3.46Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.35Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.37Å; Q1041-E1045 PolarHBondContact O-N 3.46Å; Q1041-L1111 HydrophobicContact CB-CB 4.44Å; Q1041-L1111 HydrophobicContact CB-CD1 4.46Å; Q1041-I1115 HydrophobicContact CB-CD1 3.91Å; Q1041-I1115 HydrophobicContact CG-CD1 4.33Å |
| 1042 | H | 93.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 29% | 0.292 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.3 | -40 | 177.1 | -178.8 | 60.1 | 0 | 0 | 0 | 112.8 | Q1038 R1040 G1046 S1081 Q1084 | Q1038-H1042 WeakPolarHBondContact O-CB 3.45Å; Q1038-H1042 PolarHBondContact O-N 3.47Å; R1040-H1042 VanDerWaalsContact C-N 3.31Å; R1040-H1042 PolarHBondContact O-N 2.94Å; H1042-G1046 PolarHBondContact O-N 2.91Å; H1042-S1081 PolarHBondContact CE1-OG 2.66Å; H1042-S1081 WeakPolarHBondContact NE2-CB 3.12Å; H1042-S1081 PolarHBondContact NE2-OG 3.43Å; H1042-Q1084 PolarHBondContact CE1-NE2 2.97Å; H1042-Q1084 PolarHBondContact ND1-NE2 3.41Å; H1042-Q1084 WeakPolarHBondContact O-CG 3.31Å; H1042-Q1084 PolarHBondContact O-NE2 2.87Å |
| 1043 | I | 92.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -46.6 | 174.7 | -62.6 | -59.9 | 0 | 0 | 0 | 111.7 | K1039 R1040 Q1041 E1045 G1046 L1047 E1083 A1087 | K1039-I1043 WeakPolarHBondContact O-CG1 3.46Å; K1039-I1043 PolarHBondContact O-N 3.09Å; R1040-I1043 WeakPolarHBondContact O-CB 3.28Å; R1040-I1043 PolarHBondContact O-N 3.08Å; R1040-I1043 VanDerWaalsContact O-N 3.11Å; Q1041-I1043 VanDerWaalsContact C-N 3.28Å; Q1041-I1043 PolarHBondContact O-N 2.94Å; I1043-E1045 PolarHBondContact O-N 2.92Å; I1043-G1046 WeakPolarHBondContact O-CA 3.47Å; I1043-G1046 PolarHBondContact O-N 3.19Å; I1043-G1046 VanDerWaalsContact O-N 3.15Å; I1043-L1047 HydrophobicContact CG2-CD1 4.13Å; I1043-L1047 HydrophobicContact CG2-CG 4.36Å; I1043-L1047 WeakPolarHBondContact O-CG 3.42Å; I1043-L1047 PolarHBondContact O-N 2.9Å; I1043-E1083 HydrophobicContact CD1-CB 3.81Å; I1043-E1083 WeakPolarHBondContact CD1-O 3.4Å; I1043-A1087 HydrophobicContact CD1-CB 4.21Å; I1043-A1087 HydrophobicContact CG2-CB 3.63Å |
| 1044 | V | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | -178.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | R1040 Q1041 G1046 L1047 I1048 L1104 E1107 A1108 L1111 | R1040-V1044 HydrophobicContact CG-CG2 4.3Å; R1040-V1044 WeakPolarHBondContact O-CG2 3.45Å; R1040-V1044 PolarHBondContact O-N 3.14Å; Q1041-V1044 PolarHBondContact O-N 2.97Å; Q1041-V1044 VanDerWaalsContact O-N 3.11Å; V1044-G1046 VanDerWaalsContact C-N 3.29Å; V1044-G1046 PolarHBondContact O-N 3.14Å; V1044-L1047 PolarHBondContact O-N 3.25Å; V1044-L1047 VanDerWaalsContact O-N 3.13Å; V1044-I1048 HydrophobicContact CG1-CD1 3.82Å; V1044-I1048 HydrophobicContact CG1-CG1 4.33Å; V1044-I1048 WeakPolarHBondContact O-CG1 3.23Å; V1044-I1048 PolarHBondContact O-N 3.48Å; V1044-L1104 HydrophobicContact CG1-CD2 4.35Å; V1044-L1104 WeakPolarHBondContact CG1-O 3.04Å; V1044-E1107 HydrophobicContact CG2-CG 4.24Å; V1044-A1108 HydrophobicContact CG1-CB 3.83Å; V1044-L1111 HydrophobicContact CG2-CD1 4.02Å |
| 1045 | E | 91.4 | Very high | 91.6 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 172.9 | -74 | 176 | -177.1 | 0 | 0 | 111.8 | Q1041 I1043 K1049 | Q1041-E1045 HydrophobicContact CG-CG 4.29Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.5Å; Q1041-E1045 PolarHBondContact NE2-OE1 3.46Å; Q1041-E1045 WeakPolarHBondContact O-CB 3.35Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.37Å; Q1041-E1045 PolarHBondContact O-N 3.46Å; I1043-E1045 PolarHBondContact O-N 2.92Å; E1045-K1049 WeakPolarHBondContact O-CB 3.24Å; E1045-K1049 PolarHBondContact O-N 3.37Å |
| 1046 | G | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | H1042 I1043 V1044 A1050 F1080 | H1042-G1046 PolarHBondContact O-N 2.91Å; I1043-G1046 WeakPolarHBondContact O-CA 3.47Å; I1043-G1046 PolarHBondContact O-N 3.19Å; I1043-G1046 VanDerWaalsContact O-N 3.15Å; V1044-G1046 VanDerWaalsContact C-N 3.29Å; V1044-G1046 PolarHBondContact O-N 3.14Å; G1046-A1050 VanDerWaalsContact O-CB 3.29Å; G1046-A1050 WeakPolarHBondContact O-CB 3.26Å; G1046-A1050 PolarHBondContact O-N 3.4Å; G1046-F1080 WeakPolarHBondContact O-CE1 3.47Å |
| 1047 | L | 90.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 177.4 | -68.9 | 176.6 | 0 | 0 | 0 | 112 | I1043 V1044 K1049 A1050 L1051 A1087 I1088 L1091 L1104 | I1043-L1047 HydrophobicContact CG2-CD1 4.13Å; I1043-L1047 HydrophobicContact CG2-CG 4.36Å; I1043-L1047 WeakPolarHBondContact O-CG 3.42Å; I1043-L1047 PolarHBondContact O-N 2.9Å; V1044-L1047 PolarHBondContact O-N 3.25Å; V1044-L1047 VanDerWaalsContact O-N 3.13Å; L1047-K1049 VanDerWaalsContact C-N 3.35Å; L1047-K1049 PolarHBondContact O-N 2.97Å; L1047-A1050 PolarHBondContact O-N 2.95Å; L1047-L1051 WeakPolarHBondContact O-CB 3.45Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.26Å; L1047-L1051 WeakPolarHBondContact O-CG 3.26Å; L1047-L1051 PolarHBondContact O-N 3.07Å; L1047-A1087 HydrophobicContact CD2-CB 4.44Å; L1047-I1088 HydrophobicContact CD2-CG1 4.13Å; L1047-L1091 HydrophobicContact CD2-CD1 4.03Å; L1047-L1091 HydrophobicContact CD2-CD2 4.28Å; L1047-L1104 HydrophobicContact CB-CD1 4.18Å; L1047-L1104 HydrophobicContact CD1-CD2 4.14Å |
| 1048 | I | 89.1 | Confident | 90.7 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 175.9 | -67.9 | 170.5 | 0 | 0 | 0 | 110 | V1044 L1051 S1052 L1104 E1105 A1108 | V1044-I1048 HydrophobicContact CG1-CD1 3.82Å; V1044-I1048 HydrophobicContact CG1-CG1 4.33Å; V1044-I1048 WeakPolarHBondContact O-CG1 3.23Å; V1044-I1048 PolarHBondContact O-N 3.48Å; I1048-L1051 PolarHBondContact O-N 2.86Å; I1048-S1052 PolarHBondContact O-N 3.19Å; I1048-L1104 HydrophobicContact CG1-CB 4.12Å; I1048-E1105 HydrophobicContact CD1-CG 4.46Å; I1048-A1108 HydrophobicContact CD1-CB 3.87Å |
| 1049 | K | 90.5 | Very high | 90.5 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 173.5 | 178.2 | 178.2 | 169.3 | -172.6 | 0 | 110.8 | E1045 L1047 L1051 S1052 I1053 F1078 F1080 | E1045-K1049 WeakPolarHBondContact O-CB 3.24Å; E1045-K1049 PolarHBondContact O-N 3.37Å; L1047-K1049 VanDerWaalsContact C-N 3.35Å; L1047-K1049 PolarHBondContact O-N 2.97Å; K1049-L1051 VanDerWaalsContact C-N 3.29Å; K1049-L1051 PolarHBondContact O-N 2.99Å; K1049-S1052 WeakPolarHBondContact O-CB 3.2Å; K1049-S1052 PolarHBondContact O-N 3.37Å; K1049-S1052 VanDerWaalsContact O-N 3.08Å; K1049-S1052 PolarHBondContact O-OG 3.21Å; K1049-I1053 VanDerWaalsContact O-CG1 3.26Å; K1049-I1053 WeakPolarHBondContact O-CG1 3.24Å; K1049-I1053 PolarHBondContact O-N 2.86Å; K1049-F1078 WeakPolarHBondContact CE-O 3.41Å; K1049-F1078 PolarHBondContact NZ-O 2.9Å; K1049-F1080 HydrophobicContact CB-CE1 3.98Å; K1049-F1080 HydrophobicContact CB-CZ 4.37Å; K1049-F1080 HydrophobicContact CD-CD1 4.39Å; K1049-F1080 HydrophobicContact CD-CE1 3.62Å; K1049-F1080 HydrophobicContact CD-CZ 4.04Å; K1049-F1080 HydrophobicContact CG-CE1 3.78Å; K1049-F1080 HydrophobicContact CG-CZ 3.89Å |
| 1050 | A | 88.6 | Confident | 90.4 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | G1046 L1047 S1052 I1053 L1054 V1057 F1080 I1088 | G1046-A1050 VanDerWaalsContact O-CB 3.29Å; G1046-A1050 WeakPolarHBondContact O-CB 3.26Å; G1046-A1050 PolarHBondContact O-N 3.4Å; L1047-A1050 PolarHBondContact O-N 2.95Å; A1050-S1052 VanDerWaalsContact C-N 3.34Å; A1050-I1053 CarbonylContact O-C 3.09Å; A1050-I1053 VanDerWaalsContact O-C 3.29Å; A1050-I1053 PolarHBondContact O-N 3.34Å; A1050-L1054 WeakPolarHBondContact O-CA 3.17Å; A1050-L1054 PolarHBondContact O-N 2.92Å; A1050-V1057 HydrophobicContact CB-CG2 4.31Å; A1050-F1080 HydrophobicContact CB-CE1 4.42Å; A1050-F1080 HydrophobicContact CB-CZ 3.9Å; A1050-I1088 HydrophobicContact CB-CD1 3.74Å; A1050-I1088 HydrophobicContact CB-CG1 3.75Å; A1050-I1088 HydrophobicContact CB-CG2 4.24Å |
| 1051 | L | 86.8 | Confident | 90.1 | Very high | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -33.3 | 175.6 | -71.8 | 160.6 | 0 | 0 | 0 | 112 | L1047 I1048 K1049 I1053 L1096 I1101 L1104 | L1047-L1051 WeakPolarHBondContact O-CB 3.45Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.26Å; L1047-L1051 WeakPolarHBondContact O-CG 3.26Å; L1047-L1051 PolarHBondContact O-N 3.07Å; I1048-L1051 PolarHBondContact O-N 2.86Å; K1049-L1051 VanDerWaalsContact C-N 3.29Å; K1049-L1051 PolarHBondContact O-N 2.99Å; L1051-I1053 VanDerWaalsContact C-N 3.27Å; L1051-I1053 PolarHBondContact O-N 3.43Å; L1051-L1096 HydrophobicContact CD2-CD2 3.44Å; L1051-L1096 VanDerWaalsContact CD2-CD2 3.44Å; L1051-I1101 HydrophobicContact CD1-CG1 4.1Å; L1051-I1101 HydrophobicContact CD2-CG1 4.34Å; L1051-L1104 HydrophobicContact CD1-CD1 3.39Å |
| 1052 | S | 87.2 | Confident | 89.8 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.5 | -22.7 | 175 | 77.3 | 0 | 0 | 0 | 0 | 113.9 | I1048 K1049 A1050 | I1048-S1052 PolarHBondContact O-N 3.19Å; K1049-S1052 WeakPolarHBondContact O-CB 3.2Å; K1049-S1052 PolarHBondContact O-N 3.37Å; K1049-S1052 VanDerWaalsContact O-N 3.08Å; K1049-S1052 PolarHBondContact O-OG 3.21Å; A1050-S1052 VanDerWaalsContact C-N 3.34Å |
| 1053 | I | 90.6 | Very high | 89.7 | Confident | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.205 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 34.8 | 178.3 | 55.3 | 157.5 | 0 | 0 | 0 | 112 | K1049 A1050 L1051 D1055 E1056 V1057 F1078 F1080 | K1049-I1053 VanDerWaalsContact O-CG1 3.26Å; K1049-I1053 WeakPolarHBondContact O-CG1 3.24Å; K1049-I1053 PolarHBondContact O-N 2.86Å; A1050-I1053 CarbonylContact O-C 3.09Å; A1050-I1053 VanDerWaalsContact O-C 3.29Å; A1050-I1053 PolarHBondContact O-N 3.34Å; L1051-I1053 VanDerWaalsContact C-N 3.27Å; L1051-I1053 PolarHBondContact O-N 3.43Å; I1053-D1055 PolarHBondContact O-N 2.87Å; I1053-E1056 WeakPolarHBondContact CB-OE2 3.4Å; I1053-E1056 WeakPolarHBondContact O-CB 3.24Å; I1053-E1056 PolarHBondContact O-N 3.25Å; I1053-E1056 VanDerWaalsContact O-N 3.11Å; I1053-V1057 HydrophobicContact CD1-CG2 3.82Å; I1053-V1057 HydrophobicContact CG1-CG2 3.85Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; I1053-V1057 PolarHBondContact O-N 3.05Å; I1053-F1078 HydrophobicContact CD1-CB 4.29Å; I1053-F1078 HydrophobicContact CD1-CD1 3.45Å; I1053-F1078 VanDerWaalsContact CD1-CD1 3.45Å; I1053-F1078 HydrophobicContact CD1-CE1 3.86Å; I1053-F1078 HydrophobicContact CD1-CG 3.92Å; I1053-F1080 HydrophobicContact CD1-CE2 4.32Å; I1053-F1080 HydrophobicContact CD1-CZ 4.26Å |
| 1054 | L | 86.8 | Confident | 89.7 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.9 | -44.9 | -166.4 | -178.3 | 63.8 | 0 | 0 | 0 | 114 | A1050 E1056 V1057 I1058 L1096 | A1050-L1054 WeakPolarHBondContact O-CA 3.17Å; A1050-L1054 PolarHBondContact O-N 2.92Å; L1054-E1056 VanDerWaalsContact C-N 3.3Å; L1054-E1056 PolarHBondContact O-N 3.2Å; L1054-V1057 PolarHBondContact O-N 3.45Å; L1054-I1058 HydrophobicContact CD1-CD1 3.95Å; L1054-I1058 HydrophobicContact CD1-CG1 4.18Å; L1054-I1058 HydrophobicContact CD2-CD1 4.42Å; L1054-I1058 HydrophobicContact CG-CD1 3.8Å; L1054-I1058 HydrophobicContact CG-CG1 4.39Å; L1054-I1058 WeakPolarHBondContact O-CB 3.19Å; L1054-I1058 VanDerWaalsContact O-CG1 3.28Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.08Å; L1054-I1058 PolarHBondContact O-N 2.84Å; L1054-L1096 HydrophobicContact CD1-CD1 4.36Å; L1054-L1096 HydrophobicContact CD1-CD2 3.72Å; L1054-L1096 HydrophobicContact CD2-CD1 4.24Å; L1054-L1096 HydrophobicContact CD2-CD2 4.14Å |
| 1055 | D | 89.1 | Confident | 89.4 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.7 | -35.5 | -178.2 | -72.7 | -36.9 | 0 | 0 | 0 | 112.3 | I1053 T1059 | I1053-D1055 PolarHBondContact O-N 2.87Å; D1055-T1059 WeakPolarHBondContact O-CB 3.35Å; D1055-T1059 PolarHBondContact O-N 3.49Å; D1055-T1059 PolarHBondContact O-OG1 3.43Å |
| 1056 | E | 90.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.5 | -40 | 179.1 | -59.2 | 167.5 | 176.4 | 0 | 0 | 110.7 | I1053 L1054 T1059 T1060 F1078 | I1053-E1056 WeakPolarHBondContact CB-OE2 3.4Å; I1053-E1056 WeakPolarHBondContact O-CB 3.24Å; I1053-E1056 PolarHBondContact O-N 3.25Å; I1053-E1056 VanDerWaalsContact O-N 3.11Å; L1054-E1056 VanDerWaalsContact C-N 3.3Å; L1054-E1056 PolarHBondContact O-N 3.2Å; E1056-T1059 PolarHBondContact O-N 2.88Å; E1056-T1060 WeakPolarHBondContact O-CB 3.37Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.36Å; E1056-F1078 HydrophobicContact CB-CE1 3.84Å; E1056-F1078 HydrophobicContact CB-CZ 3.78Å; E1056-F1078 WeakPolarHBondContact O-CZ 3.25Å |
| 1057 | V | 89 | Confident | 89.3 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.024 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | A1050 I1053 L1054 T1059 T1060 I1061 L1074 F1078 F1080 I1088 | A1050-V1057 HydrophobicContact CB-CG2 4.31Å; I1053-V1057 HydrophobicContact CD1-CG2 3.82Å; I1053-V1057 HydrophobicContact CG1-CG2 3.85Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.19Å; I1053-V1057 PolarHBondContact O-N 3.05Å; L1054-V1057 PolarHBondContact O-N 3.45Å; V1057-T1059 VanDerWaalsContact C-N 3.33Å; V1057-T1059 PolarHBondContact O-N 3.28Å; V1057-T1060 PolarHBondContact O-N 2.83Å; V1057-I1061 HydrophobicContact CG1-CD1 3.8Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.32Å; V1057-I1061 PolarHBondContact O-N 3.24Å; V1057-L1074 HydrophobicContact CB-CD2 4.48Å; V1057-L1074 HydrophobicContact CG1-CD2 3.93Å; V1057-L1074 HydrophobicContact CG2-CD2 4.43Å; V1057-F1078 HydrophobicContact CG2-CE2 4.36Å; V1057-F1080 HydrophobicContact CG2-CE2 4.27Å; V1057-I1088 HydrophobicContact CG1-CG2 3.63Å |
| 1058 | I | 86.9 | Confident | 89.3 | Confident | 58 Ų | 58 | 78 Ų | 78 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.6 | -70.8 | 171.3 | 0 | 0 | 0 | 110.9 | L1054 T1060 I1061 R1062 | L1054-I1058 HydrophobicContact CD1-CD1 3.95Å; L1054-I1058 HydrophobicContact CD1-CG1 4.18Å; L1054-I1058 HydrophobicContact CD2-CD1 4.42Å; L1054-I1058 HydrophobicContact CG-CD1 3.8Å; L1054-I1058 HydrophobicContact CG-CG1 4.39Å; L1054-I1058 WeakPolarHBondContact O-CB 3.19Å; L1054-I1058 VanDerWaalsContact O-CG1 3.28Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.08Å; L1054-I1058 PolarHBondContact O-N 2.84Å; I1058-T1060 VanDerWaalsContact C-N 3.3Å; I1058-T1060 PolarHBondContact O-N 3.3Å; I1058-I1061 PolarHBondContact O-N 3.17Å; I1058-R1062 HydrophobicContact CG2-CG 4.23Å; I1058-R1062 WeakPolarHBondContact O-CB 3.49Å; I1058-R1062 WeakPolarHBondContact O-CG 3.28Å; I1058-R1062 PolarHBondContact O-N 2.77Å |
| 1059 | T | 90.5 | Very high | 89.5 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | D1055 E1056 V1057 G1063 | D1055-T1059 WeakPolarHBondContact O-CB 3.35Å; D1055-T1059 PolarHBondContact O-N 3.49Å; D1055-T1059 PolarHBondContact O-OG1 3.43Å; E1056-T1059 PolarHBondContact O-N 2.88Å; V1057-T1059 VanDerWaalsContact C-N 3.33Å; V1057-T1059 PolarHBondContact O-N 3.28Å; T1059-G1063 PolarHBondContact O-N 3.14Å |
| 1060 | T | 90.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 74 Ų | 74 | 5% | 0.049 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | E1056 V1057 I1058 G1063 S1064 N1073 L1074 F1078 | E1056-T1060 WeakPolarHBondContact O-CB 3.37Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.36Å; V1057-T1060 PolarHBondContact O-N 2.83Å; I1058-T1060 VanDerWaalsContact C-N 3.3Å; I1058-T1060 PolarHBondContact O-N 3.3Å; T1060-G1063 PolarHBondContact O-N 2.72Å; T1060-S1064 PolarHBondContact O-N 2.94Å; T1060-S1064 PolarHBondContact O-OG 3.16Å; T1060-N1073 HydrophobicContact CG2-CB 3.64Å; T1060-L1074 HydrophobicContact CG2-CD2 4.34Å; T1060-F1078 HydrophobicContact CG2-CE2 4.05Å; T1060-F1078 VanDerWaalsContact OG1-CE2 3.23Å; T1060-F1078 WeakPolarHBondContact OG1-CE2 3.37Å; T1060-F1078 WeakPolarHBondContact OG1-CZ 3.29Å |
| 1061 | I | 88.7 | Confident | 89.7 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.7 | -65.9 | 170.2 | 0 | 0 | 0 | 110.9 | V1057 I1058 G1063 S1064 A1070 L1074 I1088 V1089 | V1057-I1061 HydrophobicContact CG1-CD1 3.8Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.32Å; V1057-I1061 PolarHBondContact O-N 3.24Å; I1058-I1061 PolarHBondContact O-N 3.17Å; I1061-G1063 VanDerWaalsContact C-N 3.28Å; I1061-G1063 PolarHBondContact O-N 3.15Å; I1061-S1064 WeakPolarHBondContact O-CB 3.38Å; I1061-S1064 PolarHBondContact O-N 3.06Å; I1061-S1064 VanDerWaalsContact O-N 3.15Å; I1061-A1070 HydrophobicContact CG2-CB 4.41Å; I1061-L1074 HydrophobicContact CD1-CD1 4.22Å; I1061-L1074 HydrophobicContact CG1-CD1 4.15Å; I1061-L1074 HydrophobicContact CG1-CD2 4.3Å; I1061-L1074 HydrophobicContact CG1-CG 4.4Å; I1061-I1088 HydrophobicContact CD1-CG2 4.24Å; I1061-V1089 HydrophobicContact CD1-CG2 4.35Å; I1061-V1089 HydrophobicContact CG1-CG2 4.47Å |
| 1062 | R | 89.8 | Confident | 89.9 | Confident | 213 Ų | 213 | 80 Ų | 80 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.7 | -30 | 177.4 | -75.5 | -177.2 | 66.3 | -172.7 | -0.3 | 113.5 | I1058 S1064 | I1058-R1062 HydrophobicContact CG2-CG 4.23Å; I1058-R1062 WeakPolarHBondContact O-CB 3.49Å; I1058-R1062 WeakPolarHBondContact O-CG 3.28Å; I1058-R1062 PolarHBondContact O-N 2.77Å; R1062-S1064 VanDerWaalsContact C-N 3.29Å |
| 1063 | G | 90.5 | Very high | 90.2 | Very high | 65 Ų | 65 | 77.3 Ų | 77.3 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -79.4 | -10 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1059 T1060 I1061 | T1059-G1063 PolarHBondContact O-N 3.14Å; T1060-G1063 PolarHBondContact O-N 2.72Å; I1061-G1063 VanDerWaalsContact C-N 3.28Å; I1061-G1063 PolarHBondContact O-N 3.15Å |
| 1064 | S | 92.2 | Very high | 90.3 | Very high | 19 Ų | 19 | 75.4 Ų | 75.4 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -86.6 | 150.4 | -177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | T1060 I1061 R1062 D1069 A1070 N1073 | T1060-S1064 PolarHBondContact O-N 2.94Å; T1060-S1064 PolarHBondContact O-OG 3.16Å; I1061-S1064 WeakPolarHBondContact O-CB 3.38Å; I1061-S1064 PolarHBondContact O-N 3.06Å; I1061-S1064 VanDerWaalsContact O-N 3.15Å; R1062-S1064 VanDerWaalsContact C-N 3.29Å; S1064-D1069 VanDerWaalsContact CA-OD2 3.28Å; S1064-D1069 WeakPolarHBondContact CA-OD2 3.44Å; S1064-D1069 WeakPolarHBondContact CB-OD2 3.11Å; S1064-A1070 VanDerWaalsContact CB-CA 3.49Å; S1064-A1070 VanDerWaalsContact OG-CA 3.31Å; S1064-A1070 WeakPolarHBondContact OG-CA 3.42Å; S1064-N1073 PolarHBondContact OG-ND2 2.77Å |
| 1065 | K | 87.6 | Confident | 90.5 | Very high | 187 Ų | 187 | 75.6 Ų | 75.6 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.5 | -39 | -176.9 | -66.4 | 174.2 | -176.8 | 167.5 | 0 | 113.3 | D1069 | K1065-D1069 HydrophobicContact CB-CB 4.18Å; K1065-D1069 PolarHBondContact N-OD2 2.99Å |
| 1066 | D | 89.8 | Confident | 90.5 | Very high | 94 Ų | 94 | 75.9 Ų | 75.9 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -157.1 | -177.1 | -177.1 | 62.2 | 42 | 0 | 0 | 0 | 110.7 | K1068 D1069 A1070 | D1066-K1068 VanDerWaalsContact C-N 3.3Å; D1066-K1068 PolarHBondContact O-N 2.61Å; D1066-K1068 WeakPolarHBondContact OD1-CA 3.45Å; D1066-K1068 WeakPolarHBondContact OD1-CB 3.31Å; D1066-K1068 PolarHBondContact OD1-N 3.17Å; D1066-D1069 PolarHBondContact O-N 3.1Å; D1066-D1069 PolarHBondContact OD1-N 2.98Å; D1066-A1070 WeakPolarHBondContact O-CB 3.29Å; D1066-A1070 PolarHBondContact O-N 2.99Å |
| 1067 | K | 89.5 | Confident | 90.6 | Very high | 99 Ų | 99 | 79.2 Ų | 79.2 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 178.5 | 177.9 | 173.1 | -178.2 | -176.1 | 0 | 112.8 | K1071 E1086 V1089 | K1067-K1071 WeakPolarHBondContact O-CG 2.91Å; K1067-K1071 PolarHBondContact O-N 3.13Å; K1067-K1071 VanDerWaalsContact O-N 3.07Å; K1067-E1086 WeakPolarHBondContact CE-OE1 3.47Å; K1067-E1086 WeakPolarHBondContact CE-OE2 3.3Å; K1067-E1086 IonicContact NZ-OE1 3.24Å; K1067-E1086 PolarHBondContact NZ-OE1 3.29Å; K1067-E1086 IonicContact NZ-OE2 2.79Å; K1067-V1089 HydrophobicContact CB-CG1 4.49Å; K1067-V1089 HydrophobicContact CD-CG1 4.5Å; K1067-V1089 HydrophobicContact CG-CG1 3.85Å |
| 1068 | K | 91.3 | Very high | 90.7 | Very high | 167 Ų | 167 | 80.2 Ų | 80.2 | 73% | 0.726 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.7 | -44.1 | -177.9 | -174.8 | -178.8 | 178.4 | -179.1 | 0 | 110.2 | D1066 K1071 H1072 | D1066-K1068 VanDerWaalsContact C-N 3.3Å; D1066-K1068 PolarHBondContact O-N 2.61Å; D1066-K1068 WeakPolarHBondContact OD1-CA 3.45Å; D1066-K1068 WeakPolarHBondContact OD1-CB 3.31Å; D1066-K1068 PolarHBondContact OD1-N 3.17Å; K1068-K1071 PolarHBondContact O-N 2.84Å; K1068-H1072 PolarHBondContact O-N 2.74Å |
| 1069 | D | 93.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 84 Ų | 84 | 24% | 0.235 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.5 | -164 | 64 | 0 | 0 | 0 | 111.1 | S1064 K1065 D1066 K1071 H1072 N1073 | S1064-D1069 VanDerWaalsContact CA-OD2 3.28Å; S1064-D1069 WeakPolarHBondContact CA-OD2 3.44Å; S1064-D1069 WeakPolarHBondContact CB-OD2 3.11Å; K1065-D1069 HydrophobicContact CB-CB 4.18Å; K1065-D1069 PolarHBondContact N-OD2 2.99Å; D1066-D1069 PolarHBondContact O-N 3.1Å; D1066-D1069 PolarHBondContact OD1-N 2.98Å; D1069-K1071 PolarHBondContact O-N 3.41Å; D1069-H1072 PolarHBondContact O-N 2.86Å; D1069-N1073 WeakPolarHBondContact O-CB 3.34Å; D1069-N1073 PolarHBondContact O-N 3.4Å; D1069-N1073 PolarHBondContact O-ND2 3.15Å; D1069-N1073 PolarHBondContact OD2-ND2 3.04Å |
| 1070 | A | 89.6 | Confident | 91 | Very high | 3 Ų | 3 | 79.8 Ų | 79.8 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1061 S1064 D1066 N1073 L1074 V1089 | I1061-A1070 HydrophobicContact CG2-CB 4.41Å; S1064-A1070 VanDerWaalsContact CB-CA 3.49Å; S1064-A1070 VanDerWaalsContact OG-CA 3.31Å; S1064-A1070 WeakPolarHBondContact OG-CA 3.42Å; D1066-A1070 WeakPolarHBondContact O-CB 3.29Å; D1066-A1070 PolarHBondContact O-N 2.99Å; A1070-N1073 PolarHBondContact O-N 2.96Å; A1070-L1074 WeakPolarHBondContact O-CB 3.4Å; A1070-L1074 VanDerWaalsContact O-CG 3.25Å; A1070-L1074 WeakPolarHBondContact O-CG 3.29Å; A1070-L1074 PolarHBondContact O-N 3.47Å; A1070-V1089 HydrophobicContact CB-CG1 4.47Å; A1070-V1089 HydrophobicContact CB-CG2 4.01Å |
| 1071 | K | 92.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 81 Ų | 81 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.7 | -72 | -167.1 | -59.6 | 176.8 | 0 | 112.1 | K1067 K1068 D1069 N1073 L1074 V1075 A1085 E1086 V1089 | K1067-K1071 WeakPolarHBondContact O-CG 2.91Å; K1067-K1071 PolarHBondContact O-N 3.13Å; K1067-K1071 VanDerWaalsContact O-N 3.07Å; K1068-K1071 PolarHBondContact O-N 2.84Å; D1069-K1071 PolarHBondContact O-N 3.41Å; K1071-N1073 VanDerWaalsContact C-N 3.3Å; K1071-N1073 PolarHBondContact O-N 3.39Å; K1071-L1074 PolarHBondContact O-N 3.35Å; K1071-V1075 VanDerWaalsContact O-CG2 3.25Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; K1071-V1075 PolarHBondContact O-N 3.2Å; K1071-A1085 HydrophobicContact CB-CB 4.18Å; K1071-A1085 HydrophobicContact CG-CB 4.22Å; K1071-E1086 HydrophobicContact CD-CB 3.9Å; K1071-E1086 WeakPolarHBondContact CD-OE2 3.49Å; K1071-E1086 VanDerWaalsContact CE-OE2 3.27Å; K1071-E1086 WeakPolarHBondContact CE-OE2 3.21Å; K1071-E1086 IonicContact NZ-OE2 3.42Å; K1071-E1086 PolarHBondContact NZ-OE2 3.43Å; K1071-V1089 HydrophobicContact CG-CG2 4.1Å |
| 1072 | H | 92.1 | Very high | 91.3 | Very high | 114 Ų | 114 | 85 Ų | 85 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 178.3 | -175.9 | -83.3 | 0 | 0 | 0 | 111.3 | K1068 D1069 L1074 V1075 E1076 | K1068-H1072 PolarHBondContact O-N 2.74Å; D1069-H1072 PolarHBondContact O-N 2.86Å; H1072-L1074 PolarHBondContact O-N 2.9Å; H1072-V1075 PolarHBondContact O-N 3.08Å; H1072-E1076 IonicContact CE1-OE2 2.72Å; H1072-E1076 PolarHBondContact CE1-OE2 3.31Å; H1072-E1076 IonicContact ND1-OE2 3.79Å; H1072-E1076 PolarHBondContact ND1-OE2 3.48Å; H1072-E1076 WeakPolarHBondContact O-CB 3.42Å; H1072-E1076 PolarHBondContact O-N 2.88Å |
| 1073 | N | 93 | Very high | 91.4 | Very high | 37 Ų | 37 | 79 Ų | 79 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 179.7 | -67.1 | -27.8 | 0 | 0 | 0 | 112.7 | T1060 S1064 D1069 A1070 K1071 R1077 | T1060-N1073 HydrophobicContact CG2-CB 3.64Å; S1064-N1073 PolarHBondContact OG-ND2 2.77Å; D1069-N1073 WeakPolarHBondContact O-CB 3.34Å; D1069-N1073 PolarHBondContact O-N 3.4Å; D1069-N1073 PolarHBondContact O-ND2 3.15Å; D1069-N1073 PolarHBondContact OD2-ND2 3.04Å; A1070-N1073 PolarHBondContact O-N 2.96Å; K1071-N1073 VanDerWaalsContact C-N 3.3Å; K1071-N1073 PolarHBondContact O-N 3.39Å; N1073-R1077 WeakPolarHBondContact O-CB 3.45Å; N1073-R1077 PolarHBondContact O-N 2.62Å |
| 1074 | L | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 174.6 | -72.5 | 173.7 | 0 | 0 | 0 | 112.3 | V1057 T1060 I1061 A1070 K1071 H1072 F1078 F1080 A1085 I1088 V1089 | V1057-L1074 HydrophobicContact CB-CD2 4.48Å; V1057-L1074 HydrophobicContact CG1-CD2 3.93Å; V1057-L1074 HydrophobicContact CG2-CD2 4.43Å; T1060-L1074 HydrophobicContact CG2-CD2 4.34Å; I1061-L1074 HydrophobicContact CD1-CD1 4.22Å; I1061-L1074 HydrophobicContact CG1-CD1 4.15Å; I1061-L1074 HydrophobicContact CG1-CD2 4.3Å; I1061-L1074 HydrophobicContact CG1-CG 4.4Å; A1070-L1074 WeakPolarHBondContact O-CB 3.4Å; A1070-L1074 VanDerWaalsContact O-CG 3.25Å; A1070-L1074 WeakPolarHBondContact O-CG 3.29Å; A1070-L1074 PolarHBondContact O-N 3.47Å; K1071-L1074 PolarHBondContact O-N 3.35Å; H1072-L1074 PolarHBondContact O-N 2.9Å; L1074-F1078 HydrophobicContact CD2-CD2 3.85Å; L1074-F1078 HydrophobicContact CD2-CE2 4.01Å; L1074-F1078 PolarHBondContact O-N 3.41Å; L1074-F1078 VanDerWaalsContact O-N 3.15Å; L1074-F1080 HydrophobicContact CB-CD2 4.21Å; L1074-A1085 HydrophobicContact CB-CB 4.06Å; L1074-A1085 HydrophobicContact CD1-CB 4.35Å; L1074-I1088 HydrophobicContact CD1-CB 4.17Å; L1074-I1088 HydrophobicContact CD1-CG2 3.82Å; L1074-V1089 HydrophobicContact CD1-CG2 3.51Å |
| 1075 | V | 91.4 | Very high | 91.5 | Very high | 55 Ų | 55 | 75.9 Ų | 75.9 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | K1071 H1072 D1079 F1080 A1085 | K1071-V1075 VanDerWaalsContact O-CG2 3.25Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; K1071-V1075 PolarHBondContact O-N 3.2Å; H1072-V1075 PolarHBondContact O-N 3.08Å; V1075-D1079 WeakPolarHBondContact O-CA 3.27Å; V1075-D1079 PolarHBondContact O-N 2.9Å; V1075-F1080 WeakPolarHBondContact CA-O 3.41Å; V1075-F1080 WeakPolarHBondContact CG1-O 3.36Å; V1075-F1080 WeakPolarHBondContact CG2-O 3.34Å; V1075-A1085 HydrophobicContact CG2-CB 3.87Å |
| 1076 | E | 90.5 | Very high | 91.8 | Very high | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.5 | -37.1 | -176 | -172.5 | -179.7 | -174.9 | 0 | 0 | 113.1 | H1072 | H1072-E1076 IonicContact CE1-OE2 2.72Å; H1072-E1076 PolarHBondContact CE1-OE2 3.31Å; H1072-E1076 IonicContact ND1-OE2 3.79Å; H1072-E1076 PolarHBondContact ND1-OE2 3.48Å; H1072-E1076 WeakPolarHBondContact O-CB 3.42Å; H1072-E1076 PolarHBondContact O-N 2.88Å |
| 1077 | R | 91.2 | Very high | 91.9 | Very high | 177 Ų | 177 | 66.5 Ų | 66.5 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -93.4 | -28.8 | -170 | -166.7 | 170 | -177.1 | 156.8 | 0.4 | 114.5 | N1073 | N1073-R1077 WeakPolarHBondContact O-CB 3.45Å; N1073-R1077 PolarHBondContact O-N 2.62Å |
| 1078 | F | 91.9 | Very high | 91.9 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -125.4 | 7.8 | -174.5 | -56.8 | -72.3 | 0 | 0 | 0 | 113.2 | K1049 I1053 E1056 V1057 T1060 L1074 F1080 | K1049-F1078 WeakPolarHBondContact CE-O 3.41Å; K1049-F1078 PolarHBondContact NZ-O 2.9Å; I1053-F1078 HydrophobicContact CD1-CB 4.29Å; I1053-F1078 HydrophobicContact CD1-CD1 3.45Å; I1053-F1078 VanDerWaalsContact CD1-CD1 3.45Å; I1053-F1078 HydrophobicContact CD1-CE1 3.86Å; I1053-F1078 HydrophobicContact CD1-CG 3.92Å; E1056-F1078 HydrophobicContact CB-CE1 3.84Å; E1056-F1078 HydrophobicContact CB-CZ 3.78Å; E1056-F1078 WeakPolarHBondContact O-CZ 3.25Å; V1057-F1078 HydrophobicContact CG2-CE2 4.36Å; T1060-F1078 HydrophobicContact CG2-CE2 4.05Å; T1060-F1078 VanDerWaalsContact OG1-CE2 3.23Å; T1060-F1078 WeakPolarHBondContact OG1-CE2 3.37Å; T1060-F1078 WeakPolarHBondContact OG1-CZ 3.29Å; L1074-F1078 HydrophobicContact CD2-CD2 3.85Å; L1074-F1078 HydrophobicContact CD2-CE2 4.01Å; L1074-F1078 PolarHBondContact O-N 3.41Å; L1074-F1078 VanDerWaalsContact O-N 3.15Å; F1078-F1080 HydrophobicContact CB-CD2 3.54Å; F1078-F1080 HydrophobicContact CB-CE2 3.42Å; F1078-F1080 VanDerWaalsContact CB-CE2 3.42Å; F1078-F1080 HydrophobicContact CB-CZ 4.36Å; F1078-F1080 HydrophobicContact CD2-CD2 4.43Å; F1078-F1080 HydrophobicContact CD2-CE2 4.19Å; F1078-F1080 HydrophobicContact CG-CD2 4.39Å; F1078-F1080 HydrophobicContact CG-CE2 4.02Å; F1078-F1080 PolarHBondContact O-N 2.99Å |
| 1079 | D | 90 | Very high | 91.9 | Very high | 137 Ų | 137 | 56 Ų | 56 | 73% | 0.733 | 27% | 0.274 | S | S | * | . | trans | 53.4 | 41.1 | -177.2 | -60.5 | -44.2 | 0 | 0 | 0 | 112.8 | V1075 | V1075-D1079 WeakPolarHBondContact O-CA 3.27Å; V1075-D1079 PolarHBondContact O-N 2.9Å | ||
| 1080 | F | 93.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | trans | -79.2 | 145.7 | 166.5 | -70.6 | -64.1 | 0 | 0 | 0 | 109.6 | G1046 K1049 A1050 I1053 V1057 L1074 V1075 F1078 Q1084 A1085 I1088 | G1046-F1080 WeakPolarHBondContact O-CE1 3.47Å; K1049-F1080 HydrophobicContact CB-CE1 3.98Å; K1049-F1080 HydrophobicContact CB-CZ 4.37Å; K1049-F1080 HydrophobicContact CD-CD1 4.39Å; K1049-F1080 HydrophobicContact CD-CE1 3.62Å; K1049-F1080 HydrophobicContact CD-CZ 4.04Å; K1049-F1080 HydrophobicContact CG-CE1 3.78Å; K1049-F1080 HydrophobicContact CG-CZ 3.89Å; A1050-F1080 HydrophobicContact CB-CE1 4.42Å; A1050-F1080 HydrophobicContact CB-CZ 3.9Å; I1053-F1080 HydrophobicContact CD1-CE2 4.32Å; I1053-F1080 HydrophobicContact CD1-CZ 4.26Å; V1057-F1080 HydrophobicContact CG2-CE2 4.27Å; L1074-F1080 HydrophobicContact CB-CD2 4.21Å; V1075-F1080 WeakPolarHBondContact CA-O 3.41Å; V1075-F1080 WeakPolarHBondContact CG1-O 3.36Å; V1075-F1080 WeakPolarHBondContact CG2-O 3.34Å; F1078-F1080 HydrophobicContact CB-CD2 3.54Å; F1078-F1080 HydrophobicContact CB-CE2 3.42Å; F1078-F1080 VanDerWaalsContact CB-CE2 3.42Å; F1078-F1080 HydrophobicContact CB-CZ 4.36Å; F1078-F1080 HydrophobicContact CD2-CD2 4.43Å; F1078-F1080 HydrophobicContact CD2-CE2 4.19Å; F1078-F1080 HydrophobicContact CG-CD2 4.39Å; F1078-F1080 HydrophobicContact CG-CE2 4.02Å; F1078-F1080 PolarHBondContact O-N 2.99Å; F1080-Q1084 HydrophobicContact CB-CB 4.2Å; F1080-Q1084 HydrophobicContact CD1-CB 4.18Å; F1080-A1085 HydrophobicContact CB-CB 4.46Å; F1080-I1088 HydrophobicContact CB-CD1 4.47Å; F1080-I1088 HydrophobicContact CD1-CD1 3.62Å; F1080-I1088 HydrophobicContact CD2-CD1 3.75Å; F1080-I1088 HydrophobicContact CE1-CD1 3.64Å; F1080-I1088 HydrophobicContact CE2-CD1 3.79Å; F1080-I1088 HydrophobicContact CG-CD1 3.68Å; F1080-I1088 HydrophobicContact CZ-CD1 3.73Å | ||
| 1081 | S | 92.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | trans | -68.1 | 162.1 | 165.8 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | H1042 E1083 Q1084 A1085 | H1042-S1081 PolarHBondContact CE1-OG 2.66Å; H1042-S1081 WeakPolarHBondContact NE2-CB 3.12Å; H1042-S1081 PolarHBondContact NE2-OG 3.43Å; S1081-E1083 VanDerWaalsContact C-N 3.27Å; S1081-E1083 PolarHBondContact O-N 2.83Å; S1081-Q1084 PolarHBondContact O-N 2.92Å; S1081-Q1084 WeakPolarHBondContact OG-CB 3.35Å; S1081-Q1084 VanDerWaalsContact OG-CG 3.24Å; S1081-Q1084 WeakPolarHBondContact OG-CG 3.4Å; S1081-Q1084 PolarHBondContact OG-N 2.87Å; S1081-Q1084 VanDerWaalsContact OG-N 3.13Å; S1081-Q1084 PolarHBondContact OG-OE1 3.08Å; S1081-A1085 WeakPolarHBondContact O-CB 3.48Å; S1081-A1085 PolarHBondContact O-N 3.04Å | ||
| 1082 | E | 92.7 | Very high | 91.3 | Very high | 137 Ų | 137 | 62.9 Ų | 62.9 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.8 | -38.7 | 176.2 | -170.8 | 176.8 | -178.3 | 0 | 0 | 112.4 | A1085 E1086 | E1082-A1085 PolarHBondContact O-N 2.98Å; E1082-E1086 WeakPolarHBondContact O-CB 3.31Å; E1082-E1086 PolarHBondContact O-N 2.79Å |
| 1083 | E | 92 | Very high | 90.7 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.3 | -61.7 | -163.7 | 143 | 0 | 0 | 112.1 | K1039 I1043 S1081 E1086 A1087 | K1039-E1083 WeakPolarHBondContact CE-OE1 3.47Å; K1039-E1083 IonicContact NZ-OE1 3.21Å; K1039-E1083 PolarHBondContact NZ-OE1 3.35Å; K1039-E1083 IonicContact NZ-OE2 2.72Å; I1043-E1083 HydrophobicContact CD1-CB 3.81Å; I1043-E1083 WeakPolarHBondContact CD1-O 3.4Å; S1081-E1083 VanDerWaalsContact C-N 3.27Å; S1081-E1083 PolarHBondContact O-N 2.83Å; E1083-E1086 PolarHBondContact O-N 2.87Å; E1083-A1087 PolarHBondContact O-N 3.12Å |
| 1084 | Q | 93.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 174.3 | -73 | 169.9 | -27.6 | 0 | 0 | 111 | H1042 F1080 S1081 E1086 A1087 I1088 | H1042-Q1084 PolarHBondContact CE1-NE2 2.97Å; H1042-Q1084 PolarHBondContact ND1-NE2 3.41Å; H1042-Q1084 WeakPolarHBondContact O-CG 3.31Å; H1042-Q1084 PolarHBondContact O-NE2 2.87Å; F1080-Q1084 HydrophobicContact CB-CB 4.2Å; F1080-Q1084 HydrophobicContact CD1-CB 4.18Å; S1081-Q1084 PolarHBondContact O-N 2.92Å; S1081-Q1084 WeakPolarHBondContact OG-CB 3.35Å; S1081-Q1084 VanDerWaalsContact OG-CG 3.24Å; S1081-Q1084 WeakPolarHBondContact OG-CG 3.4Å; S1081-Q1084 PolarHBondContact OG-N 2.87Å; S1081-Q1084 VanDerWaalsContact OG-N 3.13Å; S1081-Q1084 PolarHBondContact OG-OE1 3.08Å; Q1084-E1086 VanDerWaalsContact C-N 3.32Å; Q1084-E1086 PolarHBondContact O-N 2.84Å; Q1084-A1087 PolarHBondContact O-N 3.36Å; Q1084-A1087 VanDerWaalsContact O-N 3.14Å; Q1084-I1088 WeakPolarHBondContact O-CB 3.2Å; Q1084-I1088 WeakPolarHBondContact O-CD1 3.4Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; Q1084-I1088 PolarHBondContact O-N 3.49Å |
| 1085 | A | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1071 L1074 V1075 F1080 S1081 E1082 I1088 V1089 | K1071-A1085 HydrophobicContact CB-CB 4.18Å; K1071-A1085 HydrophobicContact CG-CB 4.22Å; L1074-A1085 HydrophobicContact CB-CB 4.06Å; L1074-A1085 HydrophobicContact CD1-CB 4.35Å; V1075-A1085 HydrophobicContact CG2-CB 3.87Å; F1080-A1085 HydrophobicContact CB-CB 4.46Å; S1081-A1085 WeakPolarHBondContact O-CB 3.48Å; S1081-A1085 PolarHBondContact O-N 3.04Å; E1082-A1085 PolarHBondContact O-N 2.98Å; A1085-I1088 PolarHBondContact O-N 2.94Å; A1085-V1089 VanDerWaalsContact O-CG2 3.27Å; A1085-V1089 WeakPolarHBondContact O-CG2 3.5Å; A1085-V1089 PolarHBondContact O-N 3.01Å |
| 1086 | E | 93.7 | Very high | 88.9 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 172.3 | 179.4 | 68.9 | -149 | 0 | 0 | 111.7 | K1067 K1071 E1082 E1083 Q1084 I1088 V1089 T1090 | K1067-E1086 WeakPolarHBondContact CE-OE1 3.47Å; K1067-E1086 WeakPolarHBondContact CE-OE2 3.3Å; K1067-E1086 IonicContact NZ-OE1 3.24Å; K1067-E1086 PolarHBondContact NZ-OE1 3.29Å; K1067-E1086 IonicContact NZ-OE2 2.79Å; K1071-E1086 HydrophobicContact CD-CB 3.9Å; K1071-E1086 WeakPolarHBondContact CD-OE2 3.49Å; K1071-E1086 VanDerWaalsContact CE-OE2 3.27Å; K1071-E1086 WeakPolarHBondContact CE-OE2 3.21Å; K1071-E1086 IonicContact NZ-OE2 3.42Å; K1071-E1086 PolarHBondContact NZ-OE2 3.43Å; E1082-E1086 WeakPolarHBondContact O-CB 3.31Å; E1082-E1086 PolarHBondContact O-N 2.79Å; E1083-E1086 PolarHBondContact O-N 2.87Å; Q1084-E1086 VanDerWaalsContact C-N 3.32Å; Q1084-E1086 PolarHBondContact O-N 2.84Å; E1086-I1088 PolarHBondContact O-N 2.96Å; E1086-V1089 PolarHBondContact O-N 3.2Å; E1086-T1090 WeakPolarHBondContact O-CB 3.42Å; E1086-T1090 WeakPolarHBondContact O-CG2 3.19Å; E1086-T1090 PolarHBondContact O-N 2.99Å; E1086-T1090 VanDerWaalsContact O-N 3.08Å; E1086-T1090 PolarHBondContact O-OG1 3.35Å |
| 1087 | A | 91.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 70 Ų | 70 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1043 L1047 E1083 Q1084 T1090 L1091 | I1043-A1087 HydrophobicContact CD1-CB 4.21Å; I1043-A1087 HydrophobicContact CG2-CB 3.63Å; L1047-A1087 HydrophobicContact CD2-CB 4.44Å; E1083-A1087 PolarHBondContact O-N 3.12Å; Q1084-A1087 PolarHBondContact O-N 3.36Å; Q1084-A1087 VanDerWaalsContact O-N 3.14Å; A1087-T1090 WeakPolarHBondContact CA-OG1 3.48Å; A1087-T1090 PolarHBondContact O-N 3.45Å; A1087-T1090 PolarHBondContact O-OG1 2.68Å; A1087-L1091 PolarHBondContact O-N 2.73Å; A1087-L1091 VanDerWaalsContact O-N 3.12Å |
| 1088 | I | 91.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 178.4 | -67.9 | 161.2 | 0 | 0 | 0 | 110.7 | L1047 A1050 V1057 I1061 L1074 F1080 Q1084 A1085 E1086 T1090 L1091 | L1047-I1088 HydrophobicContact CD2-CG1 4.13Å; A1050-I1088 HydrophobicContact CB-CD1 3.74Å; A1050-I1088 HydrophobicContact CB-CG1 3.75Å; A1050-I1088 HydrophobicContact CB-CG2 4.24Å; V1057-I1088 HydrophobicContact CG1-CG2 3.63Å; I1061-I1088 HydrophobicContact CD1-CG2 4.24Å; L1074-I1088 HydrophobicContact CD1-CB 4.17Å; L1074-I1088 HydrophobicContact CD1-CG2 3.82Å; F1080-I1088 HydrophobicContact CB-CD1 4.47Å; F1080-I1088 HydrophobicContact CD1-CD1 3.62Å; F1080-I1088 HydrophobicContact CD2-CD1 3.75Å; F1080-I1088 HydrophobicContact CE1-CD1 3.64Å; F1080-I1088 HydrophobicContact CE2-CD1 3.79Å; F1080-I1088 HydrophobicContact CG-CD1 3.68Å; F1080-I1088 HydrophobicContact CZ-CD1 3.73Å; Q1084-I1088 WeakPolarHBondContact O-CB 3.2Å; Q1084-I1088 WeakPolarHBondContact O-CD1 3.4Å; Q1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; Q1084-I1088 PolarHBondContact O-N 3.49Å; A1085-I1088 PolarHBondContact O-N 2.94Å; E1086-I1088 PolarHBondContact O-N 2.96Å; I1088-T1090 PolarHBondContact O-N 3.08Å; I1088-L1091 VanDerWaalsContact O-CB 3.23Å; I1088-L1091 WeakPolarHBondContact O-CB 3.24Å; I1088-L1091 PolarHBondContact O-N 2.74Å; I1088-L1091 VanDerWaalsContact O-N 3.16Å |
| 1089 | V | 89.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.7 | -23.8 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | I1061 K1067 A1070 K1071 L1074 A1085 E1086 | I1061-V1089 HydrophobicContact CD1-CG2 4.35Å; I1061-V1089 HydrophobicContact CG1-CG2 4.47Å; K1067-V1089 HydrophobicContact CB-CG1 4.49Å; K1067-V1089 HydrophobicContact CD-CG1 4.5Å; K1067-V1089 HydrophobicContact CG-CG1 3.85Å; A1070-V1089 HydrophobicContact CB-CG1 4.47Å; A1070-V1089 HydrophobicContact CB-CG2 4.01Å; K1071-V1089 HydrophobicContact CG-CG2 4.1Å; L1074-V1089 HydrophobicContact CD1-CG2 3.51Å; A1085-V1089 VanDerWaalsContact O-CG2 3.27Å; A1085-V1089 WeakPolarHBondContact O-CG2 3.5Å; A1085-V1089 PolarHBondContact O-N 3.01Å; E1086-V1089 PolarHBondContact O-N 3.2Å |
| 1090 | T | 90.1 | Very high | 87.3 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -1.4 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | E1086 A1087 I1088 Q1092 | E1086-T1090 WeakPolarHBondContact O-CB 3.42Å; E1086-T1090 WeakPolarHBondContact O-CG2 3.19Å; E1086-T1090 PolarHBondContact O-N 2.99Å; E1086-T1090 VanDerWaalsContact O-N 3.08Å; E1086-T1090 PolarHBondContact O-OG1 3.35Å; A1087-T1090 WeakPolarHBondContact CA-OG1 3.48Å; A1087-T1090 PolarHBondContact O-N 3.45Å; A1087-T1090 PolarHBondContact O-OG1 2.68Å; I1088-T1090 PolarHBondContact O-N 3.08Å; T1090-Q1092 PolarHBondContact O-N 3.07Å |
| 1091 | L | 87.8 | Confident | 86.8 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | trans | -66.1 | 127.1 | 179.3 | -167 | 70.5 | 0 | 0 | 0 | 110.9 | L1047 A1087 I1088 R1095 L1096 | L1047-L1091 HydrophobicContact CD2-CD1 4.03Å; L1047-L1091 HydrophobicContact CD2-CD2 4.28Å; A1087-L1091 PolarHBondContact O-N 2.73Å; A1087-L1091 VanDerWaalsContact O-N 3.12Å; I1088-L1091 VanDerWaalsContact O-CB 3.23Å; I1088-L1091 WeakPolarHBondContact O-CB 3.24Å; I1088-L1091 PolarHBondContact O-N 2.74Å; I1088-L1091 VanDerWaalsContact O-N 3.16Å; L1091-R1095 HydrophobicContact CD1-CB 4.07Å; L1091-R1095 HydrophobicContact CG-CB 4.46Å; L1091-L1096 HydrophobicContact CD2-CD2 3.8Å | ||
| 1092 | Q | 86.4 | Confident | 86.5 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | trans | -83.5 | 139.7 | 179.3 | -62.9 | -177.1 | -52.3 | 0 | 0 | 110.9 | T1090 Y1094 R1095 | T1090-Q1092 PolarHBondContact O-N 3.07Å; Q1092-Y1094 HydrophobicContact CB-CD1 3.84Å; Q1092-Y1094 HydrophobicContact CB-CE1 3.51Å; Q1092-Y1094 HydrophobicContact CG-CE1 4.22Å; Q1092-Y1094 PolarHBondContact O-N 3.49Å; Q1092-Y1094 PolarHBondContact OE1-OH 2.81Å; Q1092-R1095 WeakPolarHBondContact O-CB 3.4Å; Q1092-R1095 PolarHBondContact O-N 2.62Å | ||
| 1093 | L | 79 | Confident | 86.4 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -55 | -30.1 | -173.3 | -69.6 | 173.1 | 0 | 0 | 0 | 115 | R1095 L1096 | L1093-R1095 PolarHBondContact O-N 3.43Å; L1093-L1096 HydrophobicContact CD2-CD1 3.81Å; L1093-L1096 WeakPolarHBondContact O-CB 3.3Å; L1093-L1096 WeakPolarHBondContact O-CG 3.5Å; L1093-L1096 PolarHBondContact O-N 3.04Å |
| 1094 | Y | 81.7 | Confident | 86.3 | Confident | 139 Ų | 139 | 63.6 Ų | 63.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -69.4 | -20.4 | 178.4 | 71.9 | -97.1 | 0 | 0 | 0 | 112.7 | Q1092 L1096 T1097 | Q1092-Y1094 HydrophobicContact CB-CD1 3.84Å; Q1092-Y1094 HydrophobicContact CB-CE1 3.51Å; Q1092-Y1094 HydrophobicContact CG-CE1 4.22Å; Q1092-Y1094 PolarHBondContact O-N 3.49Å; Q1092-Y1094 PolarHBondContact OE1-OH 2.81Å; Y1094-L1096 PolarHBondContact O-N 3.04Å; Y1094-T1097 VanDerWaalsContact O-CG2 3.32Å; Y1094-T1097 WeakPolarHBondContact O-CG2 3.33Å |
| 1095 | R | 78.9 | Confident | 86.1 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -77.1 | 5.3 | 176.7 | -59.6 | -164 | 110.6 | -177.4 | 4.7 | 113.6 | L1091 Q1092 L1093 T1097 D1100 | L1091-R1095 HydrophobicContact CD1-CB 4.07Å; L1091-R1095 HydrophobicContact CG-CB 4.46Å; Q1092-R1095 WeakPolarHBondContact O-CB 3.4Å; Q1092-R1095 PolarHBondContact O-N 2.62Å; L1093-R1095 PolarHBondContact O-N 3.43Å; R1095-T1097 VanDerWaalsContact C-N 3.31Å; R1095-D1100 WeakPolarHBondContact CA-OD2 3.37Å; R1095-D1100 HydrophobicContact CB-CB 4.47Å; R1095-D1100 WeakPolarHBondContact O-CB 3.43Å |
| 1096 | L | 76.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 70 Ų | 70 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -91.3 | 6.8 | 177 | -55.6 | 174.9 | 0 | 0 | 0 | 111.9 | L1051 L1054 L1091 L1093 Y1094 | L1051-L1096 HydrophobicContact CD2-CD2 3.44Å; L1051-L1096 VanDerWaalsContact CD2-CD2 3.44Å; L1054-L1096 HydrophobicContact CD1-CD1 4.36Å; L1054-L1096 HydrophobicContact CD1-CD2 3.72Å; L1054-L1096 HydrophobicContact CD2-CD1 4.24Å; L1054-L1096 HydrophobicContact CD2-CD2 4.14Å; L1091-L1096 HydrophobicContact CD2-CD2 3.8Å; L1093-L1096 HydrophobicContact CD2-CD1 3.81Å; L1093-L1096 WeakPolarHBondContact O-CB 3.3Å; L1093-L1096 WeakPolarHBondContact O-CG 3.5Å; L1093-L1096 PolarHBondContact O-N 3.04Å; Y1094-L1096 PolarHBondContact O-N 3.04Å |
| 1097 | T | 81.2 | Confident | 86.1 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -71.7 | 154.4 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | Y1094 R1095 T1099 D1100 I1101 | Y1094-T1097 VanDerWaalsContact O-CG2 3.32Å; Y1094-T1097 WeakPolarHBondContact O-CG2 3.33Å; R1095-T1097 VanDerWaalsContact C-N 3.31Å; T1097-T1099 PolarHBondContact O-N 3.11Å; T1097-D1100 PolarHBondContact O-N 3.22Å; T1097-D1100 PolarHBondContact OG1-N 3.27Å; T1097-D1100 PolarHBondContact OG1-OD2 3.26Å; T1097-I1101 PolarHBondContact O-N 3.26Å |
| 1098 | N | 80.5 | Confident | 86.2 | Confident | 124 Ų | 124 | 69.2 Ų | 69.2 | 66% | 0.663 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57 | -34.7 | 175.3 | -163.9 | 24.7 | 0 | 0 | 0 | 112 | I1101 T1102 | N1098-I1101 PolarHBondContact O-N 2.92Å; N1098-T1102 WeakPolarHBondContact O-CG2 3.48Å; N1098-T1102 PolarHBondContact O-N 2.75Å; N1098-T1102 PolarHBondContact O-OG1 3.09Å |
| 1099 | T | 84.9 | Confident | 86.3 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.5 | -47.8 | 0 | 0 | 0 | 0 | 111.8 | T1097 T1102 Q1103 | T1097-T1099 PolarHBondContact O-N 3.11Å; T1099-T1102 WeakPolarHBondContact CA-OG1 3.43Å; T1099-T1102 PolarHBondContact O-N 2.9Å; T1099-T1102 PolarHBondContact O-OG1 3.25Å; T1099-Q1103 WeakPolarHBondContact O-CG 3.33Å; T1099-Q1103 PolarHBondContact O-N 3.41Å |
| 1100 | D | 83.4 | Confident | 86.5 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.6 | -68.7 | -78 | 0 | 0 | 0 | 112.2 | R1095 T1097 Q1103 L1104 | R1095-D1100 WeakPolarHBondContact CA-OD2 3.37Å; R1095-D1100 HydrophobicContact CB-CB 4.47Å; R1095-D1100 WeakPolarHBondContact O-CB 3.43Å; T1097-D1100 PolarHBondContact O-N 3.22Å; T1097-D1100 PolarHBondContact OG1-N 3.27Å; T1097-D1100 PolarHBondContact OG1-OD2 3.26Å; D1100-Q1103 WeakPolarHBondContact O-CB 3.45Å; D1100-Q1103 PolarHBondContact O-N 3.37Å; D1100-L1104 WeakPolarHBondContact O-CG 3.16Å; D1100-L1104 PolarHBondContact O-N 3.07Å |
| 1101 | I | 83.9 | Confident | 86.7 | Confident | 47 Ų | 47 | 76 Ų | 76 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -50.8 | 172.9 | -63.8 | 169.2 | 0 | 0 | 0 | 109.7 | L1051 T1097 N1098 Q1103 L1104 E1105 | L1051-I1101 HydrophobicContact CD1-CG1 4.1Å; L1051-I1101 HydrophobicContact CD2-CG1 4.34Å; T1097-I1101 PolarHBondContact O-N 3.26Å; N1098-I1101 PolarHBondContact O-N 2.92Å; I1101-Q1103 PolarHBondContact O-N 2.62Å; I1101-L1104 PolarHBondContact O-N 3.08Å; I1101-E1105 PolarHBondContact O-N 3.21Å |
| 1102 | T | 87 | Confident | 87 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -30.7 | 177.5 | 56 | 0 | 0 | 0 | 0 | 112.8 | N1098 T1099 S1106 | N1098-T1102 WeakPolarHBondContact O-CG2 3.48Å; N1098-T1102 PolarHBondContact O-N 2.75Å; N1098-T1102 PolarHBondContact O-OG1 3.09Å; T1099-T1102 WeakPolarHBondContact CA-OG1 3.43Å; T1099-T1102 PolarHBondContact O-N 2.9Å; T1099-T1102 PolarHBondContact O-OG1 3.25Å; T1102-S1106 VanDerWaalsContact O-CB 3.31Å; T1102-S1106 WeakPolarHBondContact O-CB 3.48Å; T1102-S1106 PolarHBondContact O-N 3.24Å |
| 1103 | Q | 89.1 | Confident | 87.4 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 173.4 | -75.1 | 176 | 7.8 | 0 | 0 | 112 | T1099 D1100 I1101 S1106 E1107 | T1099-Q1103 WeakPolarHBondContact O-CG 3.33Å; T1099-Q1103 PolarHBondContact O-N 3.41Å; D1100-Q1103 WeakPolarHBondContact O-CB 3.45Å; D1100-Q1103 PolarHBondContact O-N 3.37Å; I1101-Q1103 PolarHBondContact O-N 2.62Å; Q1103-S1106 PolarHBondContact O-N 3.31Å; Q1103-E1107 VanDerWaalsContact O-CB 3.26Å; Q1103-E1107 WeakPolarHBondContact O-CB 3.39Å; Q1103-E1107 PolarHBondContact O-N 3.03Å |
| 1104 | L | 89.6 | Confident | 88.1 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.5 | -73.8 | 170.2 | 0 | 0 | 0 | 111.8 | V1044 L1047 I1048 L1051 D1100 I1101 E1107 A1108 | V1044-L1104 HydrophobicContact CG1-CD2 4.35Å; V1044-L1104 WeakPolarHBondContact CG1-O 3.04Å; L1047-L1104 HydrophobicContact CB-CD1 4.18Å; L1047-L1104 HydrophobicContact CD1-CD2 4.14Å; I1048-L1104 HydrophobicContact CG1-CB 4.12Å; L1051-L1104 HydrophobicContact CD1-CD1 3.39Å; D1100-L1104 WeakPolarHBondContact O-CG 3.16Å; D1100-L1104 PolarHBondContact O-N 3.07Å; I1101-L1104 PolarHBondContact O-N 3.08Å; L1104-E1107 PolarHBondContact O-N 3.45Å; L1104-A1108 WeakPolarHBondContact O-CB 3.5Å; L1104-A1108 PolarHBondContact O-N 2.92Å |
| 1105 | E | 89.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.3 | -69.7 | 175.8 | 161.9 | 0 | 0 | 111 | I1048 I1101 E1107 A1108 D1109 | I1048-E1105 HydrophobicContact CD1-CG 4.46Å; I1101-E1105 PolarHBondContact O-N 3.21Å; E1105-E1107 VanDerWaalsContact C-N 3.34Å; E1105-E1107 PolarHBondContact O-N 3.36Å; E1105-A1108 WeakPolarHBondContact O-CB 3.38Å; E1105-A1108 PolarHBondContact O-N 3.05Å; E1105-D1109 PolarHBondContact O-N 3.41Å |
| 1106 | S | 92.2 | Very high | 89.5 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174 | -169.9 | 0 | 0 | 0 | 0 | 112 | T1102 Q1103 A1108 D1109 E1110 | T1102-S1106 VanDerWaalsContact O-CB 3.31Å; T1102-S1106 WeakPolarHBondContact O-CB 3.48Å; T1102-S1106 PolarHBondContact O-N 3.24Å; Q1103-S1106 PolarHBondContact O-N 3.31Å; S1106-A1108 VanDerWaalsContact C-N 3.33Å; S1106-D1109 PolarHBondContact O-N 3.14Å; S1106-E1110 WeakPolarHBondContact O-CG 3.49Å; S1106-E1110 PolarHBondContact O-N 3.33Å |
| 1107 | E | 93.4 | Very high | 90.3 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176 | -176.8 | 179.5 | -176.4 | 0 | 0 | 111 | R1040 V1044 Q1103 L1104 E1105 E1110 L1111 | R1040-E1107 IonicContact CZ-OE1 3.29Å; R1040-E1107 IonicContact CZ-OE2 3.98Å; R1040-E1107 IonicContact NE-OE1 2.66Å; R1040-E1107 PolarHBondContact NE-OE1 3.39Å; R1040-E1107 VanDerWaalsContact NH2-CD 3.28Å; R1040-E1107 IonicContact NH2-OE1 2.96Å; R1040-E1107 PolarHBondContact NH2-OE1 3.23Å; R1040-E1107 IonicContact NH2-OE2 3.74Å; R1040-E1107 PolarHBondContact NH2-OE2 2.99Å; V1044-E1107 HydrophobicContact CG2-CG 4.24Å; Q1103-E1107 VanDerWaalsContact O-CB 3.26Å; Q1103-E1107 WeakPolarHBondContact O-CB 3.39Å; Q1103-E1107 PolarHBondContact O-N 3.03Å; L1104-E1107 PolarHBondContact O-N 3.45Å; E1105-E1107 VanDerWaalsContact C-N 3.34Å; E1105-E1107 PolarHBondContact O-N 3.36Å; E1107-E1110 PolarHBondContact O-N 3.24Å; E1107-L1111 HydrophobicContact CG-CD1 3.94Å; E1107-L1111 HydrophobicContact CG-CG 4.46Å; E1107-L1111 WeakPolarHBondContact O-CB 3.42Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.49Å; E1107-L1111 VanDerWaalsContact O-CG 3.23Å; E1107-L1111 WeakPolarHBondContact O-CG 3.47Å; E1107-L1111 PolarHBondContact O-N 2.68Å |
| 1108 | A | 92.2 | Very high | 91 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1044 I1048 L1104 E1105 S1106 L1111 A1112 | V1044-A1108 HydrophobicContact CG1-CB 3.83Å; I1048-A1108 HydrophobicContact CD1-CB 3.87Å; L1104-A1108 WeakPolarHBondContact O-CB 3.5Å; L1104-A1108 PolarHBondContact O-N 2.92Å; E1105-A1108 WeakPolarHBondContact O-CB 3.38Å; E1105-A1108 PolarHBondContact O-N 3.05Å; S1106-A1108 VanDerWaalsContact C-N 3.33Å; A1108-L1111 PolarHBondContact O-N 2.73Å; A1108-A1112 VanDerWaalsContact O-CB 3.29Å; A1108-A1112 WeakPolarHBondContact O-CB 3.34Å; A1108-A1112 PolarHBondContact O-N 3.32Å |
| 1109 | D | 93.8 | Very high | 91.7 | Very high | 121 Ų | 121 | 66 Ų | 66 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 176.6 | -75.9 | -20.4 | 0 | 0 | 0 | 111.7 | E1105 S1106 A1112 A1113 | E1105-D1109 PolarHBondContact O-N 3.41Å; S1106-D1109 PolarHBondContact O-N 3.14Å; D1109-A1112 PolarHBondContact O-N 3.03Å; D1109-A1113 WeakPolarHBondContact O-CB 3.31Å; D1109-A1113 PolarHBondContact O-N 3.03Å |
| 1110 | E | 94.5 | Very high | 92.1 | Very high | 128 Ų | 128 | 66 Ų | 66 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.8 | -48.2 | 174.9 | -75.5 | 175.4 | -167.9 | 0 | 0 | 111.9 | S1106 E1107 A1112 A1113 E1114 | S1106-E1110 WeakPolarHBondContact O-CG 3.49Å; S1106-E1110 PolarHBondContact O-N 3.33Å; E1107-E1110 PolarHBondContact O-N 3.24Å; E1110-A1112 VanDerWaalsContact C-N 3.34Å; E1110-A1112 PolarHBondContact O-N 3.42Å; E1110-A1113 WeakPolarHBondContact O-CB 3.41Å; E1110-A1113 PolarHBondContact O-N 2.97Å; E1110-E1114 WeakPolarHBondContact O-CB 3.46Å; E1110-E1114 PolarHBondContact O-N 3.17Å |
| 1111 | L | 94.6 | Very high | 92.6 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.7 | -73.4 | 165 | 0 | 0 | 0 | 111.6 | A1037 R1040 Q1041 V1044 E1107 A1108 A1113 E1114 I1115 | A1037-L1111 HydrophobicContact CB-CD2 4.19Å; R1040-L1111 HydrophobicContact CB-CD1 4.16Å; R1040-L1111 HydrophobicContact CB-CD2 4.12Å; R1040-L1111 HydrophobicContact CG-CD1 3.66Å; R1040-L1111 HydrophobicContact CG-CD2 4.12Å; Q1041-L1111 HydrophobicContact CB-CB 4.44Å; Q1041-L1111 HydrophobicContact CB-CD1 4.46Å; V1044-L1111 HydrophobicContact CG2-CD1 4.02Å; E1107-L1111 HydrophobicContact CG-CD1 3.94Å; E1107-L1111 HydrophobicContact CG-CG 4.46Å; E1107-L1111 WeakPolarHBondContact O-CB 3.42Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.49Å; E1107-L1111 VanDerWaalsContact O-CG 3.23Å; E1107-L1111 WeakPolarHBondContact O-CG 3.47Å; E1107-L1111 PolarHBondContact O-N 2.68Å; A1108-L1111 PolarHBondContact O-N 2.73Å; L1111-A1113 VanDerWaalsContact C-N 3.31Å; L1111-A1113 PolarHBondContact O-N 3.3Å; L1111-E1114 PolarHBondContact O-N 3.27Å; L1111-I1115 VanDerWaalsContact O-CB 3.3Å; L1111-I1115 WeakPolarHBondContact O-CB 3.36Å; L1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; L1111-I1115 WeakPolarHBondContact O-CG1 3.46Å; L1111-I1115 PolarHBondContact O-N 3.12Å |
| 1112 | A | 93.3 | Very high | 93.1 | Very high | 45 Ų | 45 | 65.4 Ų | 65.4 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1108 D1109 E1110 K1116 | A1108-A1112 VanDerWaalsContact O-CB 3.29Å; A1108-A1112 WeakPolarHBondContact O-CB 3.34Å; A1108-A1112 PolarHBondContact O-N 3.32Å; D1109-A1112 PolarHBondContact O-N 3.03Å; E1110-A1112 VanDerWaalsContact C-N 3.34Å; E1110-A1112 PolarHBondContact O-N 3.42Å; A1112-K1116 VanDerWaalsContact O-CB 3.29Å; A1112-K1116 WeakPolarHBondContact O-CB 3.42Å; A1112-K1116 PolarHBondContact O-N 2.86Å; A1112-K1116 VanDerWaalsContact O-N 3.12Å |
| 1113 | A | 94.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D1109 E1110 L1111 K1116 E1117 | D1109-A1113 WeakPolarHBondContact O-CB 3.31Å; D1109-A1113 PolarHBondContact O-N 3.03Å; E1110-A1113 WeakPolarHBondContact O-CB 3.41Å; E1110-A1113 PolarHBondContact O-N 2.97Å; L1111-A1113 VanDerWaalsContact C-N 3.31Å; L1111-A1113 PolarHBondContact O-N 3.3Å; A1113-K1116 PolarHBondContact O-N 3.4Å; A1113-E1117 PolarHBondContact O-N 3.3Å |
| 1114 | E | 93.9 | Very high | 93.6 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 177.8 | -175.8 | -178.6 | -172.7 | 0 | 0 | 111.4 | E1110 L1111 K1116 E1117 L1118 | E1110-E1114 WeakPolarHBondContact O-CB 3.46Å; E1110-E1114 PolarHBondContact O-N 3.17Å; L1111-E1114 PolarHBondContact O-N 3.27Å; E1114-K1116 VanDerWaalsContact C-N 3.29Å; E1114-K1116 PolarHBondContact O-N 3.44Å; E1114-E1117 PolarHBondContact O-N 2.91Å; E1114-E1117 VanDerWaalsContact O-N 3.12Å; E1114-L1118 HydrophobicContact CG-CD1 3.86Å; E1114-L1118 HydrophobicContact CG-CG 4.43Å; E1114-L1118 WeakPolarHBondContact O-CB 3.3Å; E1114-L1118 WeakPolarHBondContact O-CG 3.47Å; E1114-L1118 PolarHBondContact O-N 2.91Å |
| 1115 | I | 95.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 178.2 | -72.8 | 168.5 | 0 | 0 | 0 | 111.2 | L1034 A1037 Q1038 Q1041 L1111 E1117 L1118 H1119 | L1034-I1115 HydrophobicContact CD1-CB 4.3Å; L1034-I1115 HydrophobicContact CD1-CG1 4.23Å; L1034-I1115 HydrophobicContact CD1-CG2 3.85Å; A1037-I1115 HydrophobicContact CB-CD1 4.09Å; A1037-I1115 HydrophobicContact CB-CG1 3.65Å; Q1038-I1115 HydrophobicContact CG-CD1 4Å; Q1038-I1115 HydrophobicContact CG-CG1 4.34Å; Q1041-I1115 HydrophobicContact CB-CD1 3.91Å; Q1041-I1115 HydrophobicContact CG-CD1 4.33Å; L1111-I1115 VanDerWaalsContact O-CB 3.3Å; L1111-I1115 WeakPolarHBondContact O-CB 3.36Å; L1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; L1111-I1115 WeakPolarHBondContact O-CG1 3.46Å; L1111-I1115 PolarHBondContact O-N 3.12Å; I1115-E1117 VanDerWaalsContact C-N 3.35Å; I1115-L1118 PolarHBondContact O-N 2.87Å; I1115-H1119 WeakPolarHBondContact O-CB 3.12Å; I1115-H1119 PolarHBondContact O-CD2 3.47Å; I1115-H1119 PolarHBondContact O-N 2.8Å |
| 1116 | K | 95.2 | Very high | 94 | Very high | 161 Ų | 161 | 73.3 Ų | 73.3 | 70% | 0.7 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 175.8 | -177 | -179 | 178 | -177.7 | 0 | 111.7 | A1112 A1113 E1114 L1120 | A1112-K1116 VanDerWaalsContact O-CB 3.29Å; A1112-K1116 WeakPolarHBondContact O-CB 3.42Å; A1112-K1116 PolarHBondContact O-N 2.86Å; A1112-K1116 VanDerWaalsContact O-N 3.12Å; A1113-K1116 PolarHBondContact O-N 3.4Å; E1114-K1116 VanDerWaalsContact C-N 3.29Å; E1114-K1116 PolarHBondContact O-N 3.44Å; K1116-L1120 WeakPolarHBondContact O-CB 3.34Å; K1116-L1120 PolarHBondContact O-N 3.13Å |
| 1117 | E | 93.5 | Very high | 94.1 | Very high | 122 Ų | 122 | 72.6 Ų | 72.6 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.6 | -45.3 | 175.7 | -176.2 | 171.1 | -168.4 | 0 | 0 | 111.8 | A1113 E1114 I1115 H1119 L1120 I1121 | A1113-E1117 PolarHBondContact O-N 3.3Å; E1114-E1117 PolarHBondContact O-N 2.91Å; E1114-E1117 VanDerWaalsContact O-N 3.12Å; I1115-E1117 VanDerWaalsContact C-N 3.35Å; E1117-H1119 PolarHBondContact O-N 3.27Å; E1117-L1120 WeakPolarHBondContact O-CA 3.48Å; E1117-L1120 WeakPolarHBondContact O-CB 3.5Å; E1117-L1120 PolarHBondContact O-N 2.93Å; E1117-L1120 VanDerWaalsContact O-N 3.08Å; E1117-I1121 HydrophobicContact CG-CD1 4.19Å; E1117-I1121 WeakPolarHBondContact O-CG1 3.49Å; E1117-I1121 PolarHBondContact O-N 3.12Å |
| 1118 | L | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 178 | -70.2 | 168.2 | 0 | 0 | 0 | 112.2 | E1033 L1034 E1114 I1115 L1120 I1121 L1122 | E1033-L1118 HydrophobicContact CB-CD1 3.86Å; E1033-L1118 HydrophobicContact CB-CD2 4Å; L1034-L1118 HydrophobicContact CB-CB 4.23Å; L1034-L1118 HydrophobicContact CB-CD1 4.19Å; L1034-L1118 HydrophobicContact CD1-CB 4.15Å; E1114-L1118 HydrophobicContact CG-CD1 3.86Å; E1114-L1118 HydrophobicContact CG-CG 4.43Å; E1114-L1118 WeakPolarHBondContact O-CB 3.3Å; E1114-L1118 WeakPolarHBondContact O-CG 3.47Å; E1114-L1118 PolarHBondContact O-N 2.91Å; I1115-L1118 PolarHBondContact O-N 2.87Å; L1118-L1120 VanDerWaalsContact C-N 3.27Å; L1118-L1120 PolarHBondContact O-N 2.57Å; L1118-I1121 PolarHBondContact O-N 2.83Å; L1118-L1122 WeakPolarHBondContact O-CG 3.38Å; L1118-L1122 PolarHBondContact O-N 2.84Å |
| 1119 | H | 95.2 | Very high | 94.3 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 32% | 0.324 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 171.7 | -86.3 | -52.3 | 0 | 0 | 0 | 112.2 | Q1038 I1115 E1117 L1122 N1123 | Q1038-H1119 PolarHBondContact NE2-NE2 3.44Å; I1115-H1119 WeakPolarHBondContact O-CB 3.12Å; I1115-H1119 PolarHBondContact O-CD2 3.47Å; I1115-H1119 PolarHBondContact O-N 2.8Å; E1117-H1119 PolarHBondContact O-N 3.27Å; H1119-L1122 PolarHBondContact O-N 2.84Å; H1119-N1123 WeakPolarHBondContact O-CB 3.23Å; H1119-N1123 PolarHBondContact O-N 2.78Å; H1119-N1123 PolarHBondContact O-ND2 3.49Å; H1119-N1123 VanDerWaalsContact O-ND2 3.09Å |
| 1120 | L | 94.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 45% | 0.45 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177 | 179.3 | 65.6 | 0 | 0 | 0 | 111.4 | K1116 E1117 L1118 S1124 E1127 | K1116-L1120 WeakPolarHBondContact O-CB 3.34Å; K1116-L1120 PolarHBondContact O-N 3.13Å; E1117-L1120 WeakPolarHBondContact O-CA 3.48Å; E1117-L1120 WeakPolarHBondContact O-CB 3.5Å; E1117-L1120 PolarHBondContact O-N 2.93Å; E1117-L1120 VanDerWaalsContact O-N 3.08Å; L1118-L1120 VanDerWaalsContact C-N 3.27Å; L1118-L1120 PolarHBondContact O-N 2.57Å; L1120-S1124 VanDerWaalsContact O-CB 3.24Å; L1120-S1124 WeakPolarHBondContact O-CB 3.37Å; L1120-S1124 PolarHBondContact O-N 2.71Å; L1120-S1124 VanDerWaalsContact O-N 3.13Å; L1120-E1127 HydrophobicContact CD1-CG 3.99Å; L1120-E1127 HydrophobicContact CD2-CG 4.04Å; L1120-E1127 HydrophobicContact CG-CB 4.18Å; L1120-E1127 HydrophobicContact CG-CG 3.75Å |
| 1121 | I | 93.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.2 | -66.7 | 164.2 | 0 | 0 | 0 | 111 | I1026 E1117 L1118 L1128 V1131 | I1026-I1121 HydrophobicContact CG2-CG2 4.16Å; E1117-I1121 HydrophobicContact CG-CD1 4.19Å; E1117-I1121 WeakPolarHBondContact O-CG1 3.49Å; E1117-I1121 PolarHBondContact O-N 3.12Å; L1118-I1121 PolarHBondContact O-N 2.83Å; I1121-L1128 HydrophobicContact CG2-CB 4.29Å; I1121-V1131 HydrophobicContact CD1-CG2 3.82Å; I1121-V1131 HydrophobicContact CG1-CG2 3.94Å |
| 1122 | L | 93.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 64.3 Ų | 64.3 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.6 | -32 | -176.8 | -68.5 | 172.9 | 0 | 0 | 0 | 113.5 | T1027 Q1031 L1034 L1118 H1119 | T1027-L1122 HydrophobicContact CG2-CD2 3.91Å; T1027-L1122 WeakPolarHBondContact O-CD2 3.46Å; Q1031-L1122 HydrophobicContact CG-CD1 4.05Å; Q1031-L1122 HydrophobicContact CG-CD2 3.8Å; L1034-L1122 HydrophobicContact CB-CD1 4.48Å; L1034-L1122 HydrophobicContact CD2-CD1 3.68Å; L1118-L1122 WeakPolarHBondContact O-CG 3.38Å; L1118-L1122 PolarHBondContact O-N 2.84Å; H1119-L1122 PolarHBondContact O-N 2.84Å |
| 1123 | N | 94.2 | Very high | 94.8 | Very high | 133 Ų | 133 | 63.6 Ų | 63.6 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -93.1 | -9.2 | -176.9 | -65.9 | -29.5 | 0 | 0 | 0 | 113.7 | H1119 | H1119-N1123 WeakPolarHBondContact O-CB 3.23Å; H1119-N1123 PolarHBondContact O-N 2.78Å; H1119-N1123 PolarHBondContact O-ND2 3.49Å; H1119-N1123 VanDerWaalsContact O-ND2 3.09Å |
| 1124 | S | 93.7 | Very high | 94.9 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -133.1 | 106.8 | -176.3 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | L1120 K1126 E1127 L1128 | L1120-S1124 VanDerWaalsContact O-CB 3.24Å; L1120-S1124 WeakPolarHBondContact O-CB 3.37Å; L1120-S1124 PolarHBondContact O-N 2.71Å; L1120-S1124 VanDerWaalsContact O-N 3.13Å; S1124-K1126 PolarHBondContact O-N 2.77Å; S1124-K1126 VanDerWaalsContact O-N 3.13Å; S1124-E1127 PolarHBondContact O-N 2.55Å; S1124-E1127 PolarHBondContact OG-N 3.2Å; S1124-L1128 PolarHBondContact O-N 3.12Å | ||
| 1125 | E | 92.4 | Very high | 95.1 | Very high | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -54.3 | -34.2 | 173.7 | -176.5 | 173.7 | -150.5 | 0 | 0 | 112.1 | K1023 E1127 L1128 H1129 | K1023-E1125 IonicContact NZ-OE1 2.83Å; K1023-E1125 PolarHBondContact NZ-OE1 2.98Å; E1125-E1127 VanDerWaalsContact C-N 3.34Å; E1125-E1127 PolarHBondContact O-N 2.84Å; E1125-L1128 PolarHBondContact O-N 3Å; E1125-H1129 WeakPolarHBondContact O-CB 3.36Å; E1125-H1129 PolarHBondContact O-N 3.27Å; E1125-H1129 IonicContact OE1-CE1 2.7Å; E1125-H1129 IonicContact OE1-NE2 2.88Å |
| 1126 | K | 93.6 | Very high | 95.2 | Very high | 160 Ų | 160 | 62.6 Ų | 62.6 | 70% | 0.696 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 175.8 | -176.5 | -176.8 | 177 | -175.4 | 0 | 112.4 | S1124 K1130 | S1124-K1126 PolarHBondContact O-N 2.77Å; S1124-K1126 VanDerWaalsContact O-N 3.13Å; K1126-K1130 WeakPolarHBondContact O-CB 3.15Å; K1126-K1130 PolarHBondContact O-N 2.98Å |
| 1127 | E | 94.9 | Very high | 95.3 | Very high | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.7 | -35.7 | 179.4 | -65.3 | -66.1 | 138.8 | 0 | 0 | 110.7 | L1120 S1124 E1125 H1129 K1130 V1131 | L1120-E1127 HydrophobicContact CD1-CG 3.99Å; L1120-E1127 HydrophobicContact CD2-CG 4.04Å; L1120-E1127 HydrophobicContact CG-CB 4.18Å; L1120-E1127 HydrophobicContact CG-CG 3.75Å; S1124-E1127 PolarHBondContact O-N 2.55Å; S1124-E1127 PolarHBondContact OG-N 3.2Å; E1125-E1127 VanDerWaalsContact C-N 3.34Å; E1125-E1127 PolarHBondContact O-N 2.84Å; E1127-H1129 PolarHBondContact O-N 2.85Å; E1127-K1130 WeakPolarHBondContact O-CB 3.4Å; E1127-K1130 PolarHBondContact O-N 3.11Å; E1127-K1130 VanDerWaalsContact O-N 3.15Å; E1127-K1130 VanDerWaalsContact OE2-CD 3.25Å; E1127-K1130 WeakPolarHBondContact OE2-CD 3.33Å; E1127-K1130 IonicContact OE2-NZ 3.18Å; E1127-K1130 PolarHBondContact OE2-NZ 2.92Å; E1127-V1131 WeakPolarHBondContact O-CG2 3.47Å; E1127-V1131 PolarHBondContact O-N 2.82Å |
| 1128 | L | 95.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 168.9 | -172.4 | 156.8 | 0 | 0 | 0 | 111.8 | K1023 I1026 T1027 I1121 S1124 E1125 K1130 V1131 L1132 | K1023-L1128 HydrophobicContact CB-CD2 4.12Å; K1023-L1128 HydrophobicContact CG-CD2 3.72Å; I1026-L1128 HydrophobicContact CB-CG 4.49Å; I1026-L1128 HydrophobicContact CG2-CD1 4.38Å; I1026-L1128 HydrophobicContact CG2-CG 3.99Å; T1027-L1128 WeakPolarHBondContact OG1-CD1 3.01Å; I1121-L1128 HydrophobicContact CG2-CB 4.29Å; S1124-L1128 PolarHBondContact O-N 3.12Å; E1125-L1128 PolarHBondContact O-N 3Å; L1128-K1130 PolarHBondContact O-N 3.12Å; L1128-V1131 PolarHBondContact O-N 3.46Å; L1128-L1132 PolarHBondContact O-N 2.87Å |
| 1129 | H | 95.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -33 | 175.7 | -75 | -173.2 | 0 | 0 | 0 | 112.3 | I863 E1125 E1127 K1133 | I863-H1129 HydrophobicContact CG2-CB 3.89Å; E1125-H1129 WeakPolarHBondContact O-CB 3.36Å; E1125-H1129 PolarHBondContact O-N 3.27Å; E1125-H1129 IonicContact OE1-CE1 2.7Å; E1125-H1129 IonicContact OE1-NE2 2.88Å; E1127-H1129 PolarHBondContact O-N 2.85Å; H1129-K1133 WeakPolarHBondContact O-CB 3.15Å; H1129-K1133 VanDerWaalsContact O-CG 3.27Å; H1129-K1133 WeakPolarHBondContact O-CG 3.46Å; H1129-K1133 PolarHBondContact O-N 2.81Å |
| 1130 | K | 96.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 59 Ų | 59 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 175.3 | -179.5 | -170.1 | 173.2 | -167.2 | 0 | 111.2 | K1126 E1127 L1128 K1133 Q1134 | K1126-K1130 WeakPolarHBondContact O-CB 3.15Å; K1126-K1130 PolarHBondContact O-N 2.98Å; E1127-K1130 WeakPolarHBondContact O-CB 3.4Å; E1127-K1130 PolarHBondContact O-N 3.11Å; E1127-K1130 VanDerWaalsContact O-N 3.15Å; E1127-K1130 VanDerWaalsContact OE2-CD 3.25Å; E1127-K1130 WeakPolarHBondContact OE2-CD 3.33Å; E1127-K1130 IonicContact OE2-NZ 3.18Å; E1127-K1130 PolarHBondContact OE2-NZ 2.92Å; L1128-K1130 PolarHBondContact O-N 3.12Å; K1130-K1133 PolarHBondContact O-N 3.25Å; K1130-Q1134 WeakPolarHBondContact O-CB 3.5Å; K1130-Q1134 VanDerWaalsContact O-CG 3.23Å; K1130-Q1134 WeakPolarHBondContact O-CG 3.33Å; K1130-Q1134 PolarHBondContact O-N 3.12Å |
| 1131 | V | 96 | Very high | 95.8 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 174 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | I1026 I1121 E1127 L1128 K1133 Q1134 E1135 | I1026-V1131 HydrophobicContact CD1-CG1 4.42Å; I1026-V1131 HydrophobicContact CG2-CG1 4.43Å; I1121-V1131 HydrophobicContact CD1-CG2 3.82Å; I1121-V1131 HydrophobicContact CG1-CG2 3.94Å; E1127-V1131 WeakPolarHBondContact O-CG2 3.47Å; E1127-V1131 PolarHBondContact O-N 2.82Å; L1128-V1131 PolarHBondContact O-N 3.46Å; V1131-K1133 VanDerWaalsContact C-N 3.34Å; V1131-K1133 PolarHBondContact O-N 3.47Å; V1131-Q1134 WeakPolarHBondContact O-CB 3.39Å; V1131-Q1134 PolarHBondContact O-N 3.23Å; V1131-E1135 PolarHBondContact O-N 3.49Å |
| 1132 | L | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -48.9 | 177.7 | 178.4 | 53.4 | 0 | 0 | 0 | 112.1 | I863 I1019 R1022 I1026 L1128 Q1134 E1135 L1136 | I863-L1132 HydrophobicContact CD1-CD2 3.59Å; I863-L1132 HydrophobicContact CD1-CG 3.78Å; I863-L1132 HydrophobicContact CG1-CD2 4.26Å; I1019-L1132 HydrophobicContact CG2-CD2 4.31Å; R1022-L1132 HydrophobicContact CB-CD1 3.62Å; R1022-L1132 HydrophobicContact CB-CD2 4.33Å; R1022-L1132 HydrophobicContact CG-CD1 3.92Å; I1026-L1132 HydrophobicContact CD1-CB 3.7Å; I1026-L1132 HydrophobicContact CD1-CD1 3.96Å; I1026-L1132 HydrophobicContact CD1-CG 4.36Å; L1128-L1132 PolarHBondContact O-N 2.87Å; L1132-Q1134 VanDerWaalsContact C-N 3.35Å; L1132-Q1134 PolarHBondContact O-N 3.1Å; L1132-E1135 PolarHBondContact O-N 3.14Å; L1132-L1136 HydrophobicContact CD1-CD1 4.25Å; L1132-L1136 HydrophobicContact CD1-CG 4.42Å; L1132-L1136 HydrophobicContact CG-CD1 4.31Å; L1132-L1136 WeakPolarHBondContact O-CG 3.25Å; L1132-L1136 PolarHBondContact O-N 3.47Å |
| 1133 | K | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 13% | 0.13 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 177.6 | -70.1 | -174.8 | -58.5 | -177.8 | 0 | 112.9 | I860 I863 D864 H1129 K1130 V1131 R1137 | I860-K1133 HydrophobicContact CG1-CG 4.29Å; I860-K1133 HydrophobicContact CG2-CD 4.03Å; I860-K1133 HydrophobicContact CG2-CG 4.33Å; I863-K1133 HydrophobicContact CB-CD 4.43Å; I863-K1133 HydrophobicContact CB-CG 4.45Å; I863-K1133 HydrophobicContact CD1-CG 4.01Å; I863-K1133 HydrophobicContact CG2-CD 4.01Å; I863-K1133 HydrophobicContact CG2-CG 4.08Å; D864-K1133 IonicContact OD1-NZ 2.69Å; D864-K1133 PolarHBondContact OD1-NZ 2.91Å; D864-K1133 IonicContact OD2-NZ 2.94Å; D864-K1133 PolarHBondContact OD2-NZ 3.1Å; H1129-K1133 WeakPolarHBondContact O-CB 3.15Å; H1129-K1133 VanDerWaalsContact O-CG 3.27Å; H1129-K1133 WeakPolarHBondContact O-CG 3.46Å; H1129-K1133 PolarHBondContact O-N 2.81Å; K1130-K1133 PolarHBondContact O-N 3.25Å; V1131-K1133 VanDerWaalsContact C-N 3.34Å; V1131-K1133 PolarHBondContact O-N 3.47Å; K1133-R1137 WeakPolarHBondContact O-CB 3.29Å; K1133-R1137 WeakPolarHBondContact O-CG 3.45Å; K1133-R1137 PolarHBondContact O-N 3.27Å |
| 1134 | Q | 97.3 | Very high | 96 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.1 | -79 | 172.3 | -16.6 | 0 | 0 | 111.3 | K1130 V1131 L1132 R1137 Q1138 | K1130-Q1134 WeakPolarHBondContact O-CB 3.5Å; K1130-Q1134 VanDerWaalsContact O-CG 3.23Å; K1130-Q1134 WeakPolarHBondContact O-CG 3.33Å; K1130-Q1134 PolarHBondContact O-N 3.12Å; V1131-Q1134 WeakPolarHBondContact O-CB 3.39Å; V1131-Q1134 PolarHBondContact O-N 3.23Å; L1132-Q1134 VanDerWaalsContact C-N 3.35Å; L1132-Q1134 PolarHBondContact O-N 3.1Å; Q1134-R1137 PolarHBondContact O-N 2.6Å; Q1134-Q1138 WeakPolarHBondContact O-CB 3.47Å; Q1134-Q1138 PolarHBondContact O-N 3.33Å |
| 1135 | E | 96.6 | Very high | 96 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.4 | -69.7 | 179.2 | 173.5 | 0 | 0 | 111.3 | R1022 R1029 V1131 L1132 R1137 Q1138 I1139 | R1022-E1135 IonicContact CZ-OE2 3.71Å; R1022-E1135 IonicContact NE-OE2 3.74Å; R1022-E1135 IonicContact NH2-OE1 2.96Å; R1022-E1135 IonicContact NH2-OE2 3.78Å; R1022-E1135 PolarHBondContact NH2-OE2 2.88Å; R1029-E1135 IonicContact CZ-OE1 2.99Å; R1029-E1135 IonicContact NH1-OE1 2.71Å; R1029-E1135 PolarHBondContact NH1-OE1 3.36Å; R1029-E1135 IonicContact NH1-OE2 3.8Å; R1029-E1135 IonicContact NH2-OE1 2.85Å; R1029-E1135 PolarHBondContact NH2-OE1 3.4Å; V1131-E1135 PolarHBondContact O-N 3.49Å; L1132-E1135 PolarHBondContact O-N 3.14Å; E1135-R1137 VanDerWaalsContact C-N 3.32Å; E1135-R1137 PolarHBondContact O-N 3.31Å; E1135-Q1138 WeakPolarHBondContact O-CA 3.26Å; E1135-Q1138 WeakPolarHBondContact O-CB 3.2Å; E1135-Q1138 PolarHBondContact O-N 2.93Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.34Å; E1135-I1139 PolarHBondContact O-N 3.38Å |
| 1136 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 176.2 | -73.4 | 171.5 | 0 | 0 | 0 | 112 | I856 T859 I860 I863 L1132 Q1138 I1139 K1140 | I856-L1136 HydrophobicContact CG1-CD2 4.26Å; I856-L1136 HydrophobicContact CG2-CB 4.01Å; T859-L1136 HydrophobicContact CG2-CD1 3.83Å; I860-L1136 HydrophobicContact CD1-CB 4.12Å; I860-L1136 HydrophobicContact CG1-CB 4.17Å; I860-L1136 HydrophobicContact CG1-CD1 4.03Å; I863-L1136 HydrophobicContact CD1-CD1 3.91Å; L1132-L1136 HydrophobicContact CD1-CD1 4.25Å; L1132-L1136 HydrophobicContact CD1-CG 4.42Å; L1132-L1136 HydrophobicContact CG-CD1 4.31Å; L1132-L1136 WeakPolarHBondContact O-CG 3.25Å; L1132-L1136 PolarHBondContact O-N 3.47Å; L1136-Q1138 VanDerWaalsContact C-N 3.3Å; L1136-Q1138 PolarHBondContact O-N 2.88Å; L1136-I1139 PolarHBondContact O-N 2.91Å; L1136-K1140 PolarHBondContact O-N 3.37Å |
| 1137 | R | 98 | Very high | 96.3 | Very high | 128 Ų | 128 | 59.7 Ų | 59.7 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 175.3 | -75.6 | 171.3 | -177.8 | 149.5 | 0.9 | 112.6 | I860 K1133 Q1134 E1135 K1140 K1141 | I860-R1137 HydrophobicContact CD1-CG 3.74Å; K1133-R1137 WeakPolarHBondContact O-CB 3.29Å; K1133-R1137 WeakPolarHBondContact O-CG 3.45Å; K1133-R1137 PolarHBondContact O-N 3.27Å; Q1134-R1137 PolarHBondContact O-N 2.6Å; E1135-R1137 VanDerWaalsContact C-N 3.32Å; E1135-R1137 PolarHBondContact O-N 3.31Å; R1137-K1140 PolarHBondContact O-N 3.17Å; R1137-K1141 WeakPolarHBondContact O-CB 3.15Å; R1137-K1141 PolarHBondContact O-N 3.08Å |
| 1138 | Q | 97.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 61.3 Ų | 61.3 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 177.5 | -171.4 | 57.8 | 59 | 0 | 0 | 111.3 | Q1134 E1135 L1136 K1141 N1142 | Q1134-Q1138 WeakPolarHBondContact O-CB 3.47Å; Q1134-Q1138 PolarHBondContact O-N 3.33Å; E1135-Q1138 WeakPolarHBondContact O-CA 3.26Å; E1135-Q1138 WeakPolarHBondContact O-CB 3.2Å; E1135-Q1138 PolarHBondContact O-N 2.93Å; L1136-Q1138 VanDerWaalsContact C-N 3.3Å; L1136-Q1138 PolarHBondContact O-N 2.88Å; Q1138-K1141 PolarHBondContact O-N 3.05Å; Q1138-N1142 VanDerWaalsContact NE2-CG 3.33Å; Q1138-N1142 PolarHBondContact NE2-ND2 3.2Å; Q1138-N1142 PolarHBondContact NE2-OD1 3.3Å; Q1138-N1142 WeakPolarHBondContact O-CB 3.44Å; Q1138-N1142 VanDerWaalsContact O-CG 3.27Å; Q1138-N1142 PolarHBondContact O-N 3.38Å |
| 1139 | I | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 172.1 | -61.9 | -60.3 | 0 | 0 | 0 | 110.3 | L795 E798 Y828 L852 I856 E1135 L1136 K1141 N1142 Y1143 | L795-I1139 HydrophobicContact CD1-CG2 4.15Å; E798-I1139 HydrophobicContact CB-CD1 3.73Å; E798-I1139 HydrophobicContact CG-CD1 3.49Å; E798-I1139 VanDerWaalsContact CG-CD1 3.49Å; Y828-I1139 HydrophobicContact CD1-CG2 4.43Å; L852-I1139 HydrophobicContact CD1-CG2 4.36Å; L852-I1139 HydrophobicContact CD2-CG2 4.34Å; I856-I1139 HydrophobicContact CD1-CB 4.14Å; I856-I1139 HydrophobicContact CD1-CG2 3.84Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.34Å; E1135-I1139 PolarHBondContact O-N 3.38Å; L1136-I1139 PolarHBondContact O-N 2.91Å; I1139-K1141 VanDerWaalsContact C-N 3.28Å; I1139-K1141 PolarHBondContact O-N 3.42Å; I1139-N1142 PolarHBondContact O-N 3.44Å; I1139-N1142 VanDerWaalsContact O-N 3.13Å; I1139-Y1143 HydrophobicContact CD1-CD2 4.4Å; I1139-Y1143 HydrophobicContact CD1-CE2 4.12Å; I1139-Y1143 HydrophobicContact CG2-CD2 4.01Å; I1139-Y1143 WeakPolarHBondContact O-CD2 3.36Å; I1139-Y1143 PolarHBondContact O-N 3.22Å |
| 1140 | K | 96.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.1 | -42.9 | 176.1 | 168.3 | 170.3 | 168.4 | 164.3 | 0 | 112.3 | T853 I856 D857 L1136 R1137 G1144 | T853-K1140 HydrophobicContact CG2-CD 3.74Å; T853-K1140 VanDerWaalsContact CG2-CE 3.42Å; T853-K1140 HydrophobicContact CG2-CG 4.02Å; I856-K1140 HydrophobicContact CB-CB 4.48Å; I856-K1140 HydrophobicContact CD1-CB 3.81Å; I856-K1140 HydrophobicContact CG2-CB 3.95Å; I856-K1140 HydrophobicContact CG2-CD 4.19Å; D857-K1140 IonicContact OD1-NZ 2.63Å; D857-K1140 PolarHBondContact OD1-NZ 3.4Å; D857-K1140 IonicContact OD2-NZ 2.98Å; D857-K1140 PolarHBondContact OD2-NZ 3.34Å; L1136-K1140 PolarHBondContact O-N 3.37Å; R1137-K1140 PolarHBondContact O-N 3.17Å; K1140-G1144 VanDerWaalsContact O-CA 3.28Å; K1140-G1144 WeakPolarHBondContact O-CA 3.47Å; K1140-G1144 PolarHBondContact O-N 3.01Å |
| 1141 | K | 97.3 | Very high | 96.4 | Very high | 165 Ų | 165 | 60.2 Ų | 60.2 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 178.8 | -178.2 | -179.4 | 174.9 | -174.5 | 0 | 112.6 | R1137 Q1138 I1139 | R1137-K1141 WeakPolarHBondContact O-CB 3.15Å; R1137-K1141 PolarHBondContact O-N 3.08Å; Q1138-K1141 PolarHBondContact O-N 3.05Å; I1139-K1141 VanDerWaalsContact C-N 3.28Å; I1139-K1141 PolarHBondContact O-N 3.42Å |
| 1142 | N | 96.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -83.4 | -32.4 | -174.5 | -70.9 | -6.5 | 0 | 0 | 0 | 113.1 | Q1138 I1139 | Q1138-N1142 VanDerWaalsContact NE2-CG 3.33Å; Q1138-N1142 PolarHBondContact NE2-ND2 3.2Å; Q1138-N1142 PolarHBondContact NE2-OD1 3.3Å; Q1138-N1142 WeakPolarHBondContact O-CB 3.44Å; Q1138-N1142 VanDerWaalsContact O-CG 3.27Å; Q1138-N1142 PolarHBondContact O-N 3.38Å; I1139-N1142 PolarHBondContact O-N 3.44Å; I1139-N1142 VanDerWaalsContact O-N 3.13Å |
| 1143 | Y | 96.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -128.7 | 2.6 | -168.1 | -52.7 | -77 | 0 | 0 | 0 | 114.4 | Q794 L795 E798 I1139 | Q794-Y1143 HydrophobicContact CB-CE1 4.15Å; Q794-Y1143 HydrophobicContact CG-CE1 4.09Å; Q794-Y1143 WeakPolarHBondContact CG-OH 3.29Å; L795-Y1143 HydrophobicContact CB-CD1 4.28Å; L795-Y1143 HydrophobicContact CB-CE1 4.33Å; L795-Y1143 HydrophobicContact CD1-CD1 4.18Å; L795-Y1143 HydrophobicContact CD1-CD2 3.58Å; L795-Y1143 HydrophobicContact CD1-CE2 4Å; L795-Y1143 HydrophobicContact CD1-CG 3.69Å; E798-Y1143 HydrophobicContact CG-CE2 4.02Å; I1139-Y1143 HydrophobicContact CD1-CD2 4.4Å; I1139-Y1143 HydrophobicContact CD1-CE2 4.12Å; I1139-Y1143 HydrophobicContact CG2-CD2 4.01Å; I1139-Y1143 WeakPolarHBondContact O-CD2 3.36Å; I1139-Y1143 PolarHBondContact O-N 3.22Å |
| 1144 | G | 93.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 74.1 Ų | 74.1 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | trans | -62.2 | 137.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T853 K1140 | T853-G1144 WeakPolarHBondContact OG1-CA 3.38Å; K1140-G1144 VanDerWaalsContact O-CA 3.28Å; K1140-G1144 WeakPolarHBondContact O-CA 3.47Å; K1140-G1144 PolarHBondContact O-N 3.01Å | ||
| 1145 | N | 93.7 | Very high | 94.3 | Very high | 52 Ų | 52 | 73.5 Ų | 73.5 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | trans | -137.4 | 162.7 | 175.9 | 58.4 | 10.3 | 0 | 0 | 0 | 111.4 | R764 Q765 N851 | R764-N1145 PolarHBondContact NH1-ND2 3.01Å; R764-N1145 VanDerWaalsContact NH1-ND2 3.17Å; Q765-N1145 PolarHBondContact NE2-ND2 3.13Å; N851-N1145 PolarHBondContact ND2-O 3.36Å; N851-N1145 PolarHBondContact ND2-OD1 3.09Å | ||
| 1146 | E | 95 | Very high | 93.2 | Very high | 173 Ų | 173 | 74.2 Ų | 74.2 | 81% | 0.808 | 37% | 0.368 | S | S | * | . | trans | -75.7 | 151 | 178.6 | -62.4 | -172.5 | 163 | 0 | 0 | 111.8 | R764 | R764-E1146 PolarHBondContact NH2-O 3.36Š| ||
| 1147 | R | 95.8 | Very high | 92 | Very high | 63 Ų | 63 | 81.4 Ų | 81.4 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | trans | -63.9 | 139.1 | 173.7 | 162.9 | 175.5 | -78.1 | -82.4 | -2.6 | 110.9 | E854 G879 P880 T1149 | E854-R1147 IonicContact OE1-CZ 3.81Å; E854-R1147 IonicContact OE1-NE 2.71Å; E854-R1147 PolarHBondContact OE1-NE 3.07Å; E854-R1147 IonicContact OE1-NH2 3.65Å; E854-R1147 PolarHBondContact OE1-NH2 2.94Å; E854-R1147 IonicContact OE2-CZ 3.77Å; E854-R1147 IonicContact OE2-NE 3.82Å; E854-R1147 IonicContact OE2-NH2 2.69Å; E854-R1147 PolarHBondContact OE2-NH2 2.87Å; G879-R1147 PolarHBondContact O-NH2 3.28Å; P880-R1147 PolarHBondContact O-NH1 3.27Å; R1147-T1149 VanDerWaalsContact CD-O 3.23Å; R1147-T1149 WeakPolarHBondContact CD-O 3.11Å; R1147-T1149 WeakPolarHBondContact CG-O 3.42Å; R1147-T1149 PolarHBondContact NH1-O 2.88Å | ||
| 1148 | L | 96.1 | Very high | 90.8 | Very high | 75 Ų | 75 | 76.4 Ų | 76.4 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | trans | -100.7 | -38.7 | 177.6 | -58.4 | 176.7 | 0 | 0 | 0 | 111.6 | D881 | D881-L1148 PolarHBondContact OD1-N 2.74Š| ||
| 1149 | T | 97.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | trans | -81 | 129 | -175.2 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | D881 F882 G886 L888 R1147 | D881-T1149 PolarHBondContact OD1-N 2.94Å; D881-T1149 PolarHBondContact OD1-OG1 2.84Å; F882-T1149 HydrophobicContact CD2-CG2 4.18Å; F882-T1149 PolarHBondContact N-OG1 3.46Å; G886-T1149 WeakPolarHBondContact O-CA 3Å; L888-T1149 HydrophobicContact CB-CG2 3.8Å; R1147-T1149 VanDerWaalsContact CD-O 3.23Å; R1147-T1149 WeakPolarHBondContact CD-O 3.11Å; R1147-T1149 WeakPolarHBondContact CG-O 3.42Å; R1147-T1149 PolarHBondContact NH1-O 2.88Å | ||
| 1150 | T | 96.5 | Very high | 87.8 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.5 | 173.2 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | G886 I887 L888 | G886-T1150 PolarHBondContact O-N 3.29Å; I887-T1150 CarbonylContact C-O 3.35Å; I887-T1150 WeakPolarHBondContact CA-O 3.48Å; L888-T1150 PolarHBondContact N-O 2.85Å |
| 1151 | I | 94.6 | Very high | 86.2 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.6 | 179.4 | -60.6 | 172.6 | 0 | 0 | 0 | 109.8 | P878 L888 I894 | P878-I1151 HydrophobicContact CB-CD1 4.09Å; P878-I1151 HydrophobicContact CG-CD1 4.33Å; L888-I1151 HydrophobicContact CB-CG1 4.43Å; L888-I1151 CarbonylContact O-C 3.55Å; L888-I1151 WeakPolarHBondContact O-CA 3.49Å; I894-I1151 HydrophobicContact CD1-CG2 4.11Å |
| 1152 | E | 93.4 | Very high | 84.7 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.9 | 175.5 | -66.7 | -179.7 | 168.4 | 0 | 0 | 111.3 | I887 L888 Q889 G890 | I887-E1152 HydrophobicContact CG2-CG 3.79Å; L888-E1152 PolarHBondContact O-N 2.84Å; Q889-E1152 HydrophobicContact CG-CB 4.3Å; Q889-E1152 PolarHBondContact NE2-OE2 3.23Å; G890-E1152 PolarHBondContact N-O 2.85Å; G890-E1152 VanDerWaalsContact N-O 3.1Å |
| 1153 | D | 86.4 | Confident | 83.1 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -70.6 | -49.8 | -175.3 | -69.7 | -27.6 | 0 | 0 | 0 | 112.2 | G890 K891 | G890-D1153 WeakPolarHBondContact CA-O 3.17Å; K891-D1153 WeakPolarHBondContact CD-OD1 3.38Å; K891-D1153 PolarHBondContact N-O 2.84Å; K891-D1153 IonicContact NZ-OD1 2.63Å |
| 1154 | E | 84.4 | Confident | 81.5 | Confident | 163 Ų | 163 | 81.7 Ų | 81.7 | 76% | 0.762 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -104.7 | 144.9 | -172.6 | -64.8 | -173.1 | 174.3 | 0 | 0 | 113 | S1156 | E1154-S1156 PolarHBondContact O-N 3.45Š|
| 1155 | I | 79.9 | Confident | 80.2 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 45% | 0.451 | 41% | 0.414 | S | S | . | . | trans | -77.6 | 117.4 | 171.6 | -69.1 | 168.1 | 0 | 0 | 0 | 108.5 | Q889 I906 E1157 | Q889-I1155 HydrophobicContact CB-CG1 4.27Å; I906-I1155 HydrophobicContact CD1-CB 4.45Å; I906-I1155 HydrophobicContact CD1-CD1 4.28Å; I906-I1155 HydrophobicContact CD1-CG1 4.23Å; I906-I1155 HydrophobicContact CD1-CG2 3.45Å; I906-I1155 VanDerWaalsContact CD1-CG2 3.45Å; I906-I1155 HydrophobicContact CG1-CD1 4.36Å; I906-I1155 HydrophobicContact CG1-CG1 4.42Å; I906-I1155 HydrophobicContact CG1-CG2 4.48Å; I1155-E1157 PolarHBondContact O-N 2.76Å | ||
| 1156 | S | 74.2 | Confident | 79.1 | Confident | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | trans | -70 | 126.8 | 178 | -22.9 | 0 | 0 | 0 | 0 | 110.8 | Q889 R908 E1154 I1158 | Q889-S1156 PolarHBondContact NE2-OG 2.74Å; R908-S1156 PolarHBondContact NH1-OG 3.47Å; R908-S1156 VanDerWaalsContact NH1-OG 3.16Å; R908-S1156 PolarHBondContact NH2-OG 2.73Å; E1154-S1156 PolarHBondContact O-N 3.45Å; S1156-I1158 PolarHBondContact O-N 3.28Å | ||
| 1157 | E | 71.6 | Confident | 78.1 | Confident | 150 Ų | 150 | 75.9 Ų | 75.9 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | trans | -75 | 115.4 | 173 | -166.7 | -172.2 | -175.6 | 0 | 0 | 110.1 | I1155 K1159 | I1155-E1157 PolarHBondContact O-N 2.76Å; E1157-K1159 VanDerWaalsContact CD-CE 3.42Å; E1157-K1159 PolarHBondContact O-N 3.39Å; E1157-K1159 WeakPolarHBondContact OE2-CE 3.28Å; E1157-K1159 IonicContact OE2-NZ 3.89Å; E1157-K1159 PolarHBondContact OE2-NZ 3.41Å | ||
| 1158 | I | 72.7 | Confident | 77.2 | Confident | 24 Ų | 24 | 80 Ų | 80 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | trans | -87.7 | 104.2 | 177.3 | -58.8 | 168.6 | 0 | 0 | 0 | 109.3 | N982 F985 K986 S1156 | N982-I1158 HydrophobicContact CB-CG2 3.65Å; N982-I1158 WeakPolarHBondContact O-CG2 3.15Å; F985-I1158 HydrophobicContact CB-CD1 3.56Å; F985-I1158 HydrophobicContact CG-CD1 4.36Å; K986-I1158 HydrophobicContact CB-CG2 4.43Å; S1156-I1158 PolarHBondContact O-N 3.28Å | ||
| 1159 | K | 68 | Low | 76.7 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 124.8 | 170.5 | -67.4 | -179.5 | -176.2 | 169.8 | 0 | 109.2 | E1157 | E1157-K1159 VanDerWaalsContact CD-CE 3.42Å; E1157-K1159 PolarHBondContact O-N 3.39Å; E1157-K1159 WeakPolarHBondContact OE2-CE 3.28Å; E1157-K1159 IonicContact OE2-NZ 3.89Å; E1157-K1159 PolarHBondContact OE2-NZ 3.41Å |
| 1160 | I | 64.9 | Low | 76.4 | Confident | 44 Ų | 44 | 84.2 Ų | 84.2 | 23% | 0.226 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 116.9 | 170.4 | -59.3 | 173.9 | 0 | 0 | 0 | 106.3 | Y983 K986 L1165 | Y983-I1160 HydrophobicContact CD2-CD1 3.78Å; Y983-I1160 HydrophobicContact CD2-CG2 4.1Å; Y983-I1160 HydrophobicContact CE2-CD1 4.43Å; Y983-I1160 HydrophobicContact CG-CD1 4.44Å; K986-I1160 HydrophobicContact CB-CD1 4.07Å; K986-I1160 HydrophobicContact CD-CD1 3.66Å; K986-I1160 HydrophobicContact CD-CG1 4.2Å; K986-I1160 HydrophobicContact CG-CD1 4.21Å; I1160-L1165 HydrophobicContact CG2-CD1 4.3Å; I1160-L1165 HydrophobicContact CG2-CD2 4.23Å; I1160-L1165 HydrophobicContact CG2-CG 4.3Å |
| 1161 | E | 62.5 | Low | 76.2 | Confident | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 127 | 172.2 | -67.8 | 172.9 | 179.4 | 0 | 0 | 109.2 | E1163 V1164 | E1161-E1163 PolarHBondContact O-N 2.79Å; E1161-V1164 HydrophobicContact CB-CG2 4.06Å; E1161-V1164 PolarHBondContact O-N 2.83Å; E1161-V1164 VanDerWaalsContact O-N 3.11Å |
| 1162 | T | 65.4 | Low | 76.2 | Confident | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -58.9 | -30.2 | -176.9 | -44.5 | 0 | 0 | 0 | 0 | 112.1 | V1164 L1165 I1166 | T1162-V1164 PolarHBondContact O-N 3.49Å; T1162-L1165 WeakPolarHBondContact O-CB 3.23Å; T1162-L1165 PolarHBondContact O-N 3.42Å; T1162-I1166 HydrophobicContact CG2-CD1 4.02Å; T1162-I1166 WeakPolarHBondContact O-CD1 3.07Å |
| 1163 | E | 62.3 | Low | 76.2 | Confident | 139 Ų | 139 | 75.7 Ų | 75.7 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -58.8 | -33.7 | 178.2 | -66.5 | 177.4 | -165.2 | 0 | 0 | 112.8 | E1161 L1165 I1166 | E1161-E1163 PolarHBondContact O-N 2.79Å; E1163-L1165 PolarHBondContact O-N 3.45Å; E1163-I1166 PolarHBondContact O-N 3.33Å |
| 1164 | V | 64 | Low | 76.5 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -68 | -19.8 | 178.7 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | I950 I980 E1161 T1162 | I950-V1164 HydrophobicContact CD1-CG1 3.68Å; I950-V1164 HydrophobicContact CG1-CG1 4.04Å; I980-V1164 HydrophobicContact CG1-CG1 4.46Å; E1161-V1164 HydrophobicContact CB-CG2 4.06Å; E1161-V1164 PolarHBondContact O-N 2.83Å; E1161-V1164 VanDerWaalsContact O-N 3.11Å; T1162-V1164 PolarHBondContact O-N 3.49Å |
| 1165 | L | 66 | Low | 77 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -89.2 | -14.4 | 179.9 | -53.5 | 176.7 | 0 | 0 | 0 | 113.2 | I950 Y983 I1160 T1162 E1163 | I950-L1165 HydrophobicContact CB-CD2 4.4Å; I950-L1165 HydrophobicContact CG1-CD2 4.45Å; Y983-L1165 HydrophobicContact CD2-CD2 3.5Å; Y983-L1165 HydrophobicContact CE2-CD2 3.39Å; I1160-L1165 HydrophobicContact CG2-CD1 4.3Å; I1160-L1165 HydrophobicContact CG2-CD2 4.23Å; I1160-L1165 HydrophobicContact CG2-CG 4.3Å; T1162-L1165 WeakPolarHBondContact O-CB 3.23Å; T1162-L1165 PolarHBondContact O-N 3.42Å; E1163-L1165 PolarHBondContact O-N 3.45Å |
| 1166 | I | 70.7 | Confident | 77.6 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -106.2 | 124.1 | -169.2 | -59.8 | 156.6 | 0 | 0 | 0 | 109.7 | T1162 E1163 Q1168 L1214 H1232 | T1162-I1166 HydrophobicContact CG2-CD1 4.02Å; T1162-I1166 WeakPolarHBondContact O-CD1 3.07Å; E1163-I1166 PolarHBondContact O-N 3.33Å; I1166-Q1168 PolarHBondContact O-N 2.71Å; I1166-L1214 HydrophobicContact CB-CD2 4.07Å; I1166-L1214 HydrophobicContact CD1-CD2 4.25Å; I1166-L1214 HydrophobicContact CG2-CD2 3.89Å; I1166-H1232 HydrophobicContact CD1-CB 4.35Å; I1166-H1232 WeakPolarHBondContact CD1-CE1 3.15Å; I1166-H1232 WeakPolarHBondContact CD1-ND1 3.15Å; I1166-H1232 WeakPolarHBondContact CD1-NE2 3.48Å; I1166-H1232 HydrophobicContact CG1-CB 4.34Å; I1166-H1232 HydrophobicContact CG2-CB 3.72Å |
| 1167 | A | 72.9 | Confident | 78.4 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | trans | -69 | 127.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1169 T1213 | A1167-E1169 HydrophobicContact CB-CG 4.33Å; A1167-E1169 PolarHBondContact O-N 3.48Å; A1167-T1213 PolarHBondContact O-OG1 3.08Å | ||
| 1168 | Q | 77.7 | Confident | 79.4 | Confident | 149 Ų | 149 | 56.1 Ų | 56.1 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | trans | -73.6 | 112.1 | 173.7 | -71.8 | -172.5 | -0.2 | 0 | 0 | 110.3 | I1166 T1213 L1214 | I1166-Q1168 PolarHBondContact O-N 2.71Å; Q1168-T1213 WeakPolarHBondContact CA-OG1 3.35Å; Q1168-L1214 HydrophobicContact CG-CD1 3.53Å; Q1168-L1214 HydrophobicContact CG-CG 4.03Å | ||
| 1169 | E | 85.8 | Confident | 80.3 | Confident | 95 Ų | 95 | 55 Ų | 55 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | trans | -144.7 | 145.7 | -178.5 | -61 | -176.5 | 178.8 | 0 | 0 | 110.9 | A1167 N1212 T1213 | A1167-E1169 HydrophobicContact CB-CG 4.33Å; A1167-E1169 PolarHBondContact O-N 3.48Å; E1169-N1212 CarbonylContact O-C 3.55Å; E1169-N1212 WeakPolarHBondContact O-CA 3.24Å; E1169-N1212 PolarHBondContact O-ND2 2.84Å; E1169-T1213 HydrophobicContact CB-CG2 4.1Å; E1169-T1213 PolarHBondContact N-OG1 2.79Å; E1169-T1213 PolarHBondContact O-N 2.84Å | ||
| 1170 | D | 90.6 | Very high | 81.5 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.3 | 170 | -75.3 | -5 | 0 | 0 | 0 | 110.4 | L1186 K1210 | D1170-L1186 HydrophobicContact CB-CD1 3.61Å; D1170-L1186 HydrophobicContact CB-CG 4.27Å; D1170-K1210 WeakPolarHBondContact OD2-CE 3.23Å; D1170-K1210 IonicContact OD2-NZ 3.39Å; D1170-K1210 PolarHBondContact OD2-NZ 2.56Å |
| 1171 | V | 93.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.2 | -178.6 | -64 | 0 | 0 | 0 | 0 | 111.2 | V1173 R1183 S1184 K1210 L1211 T1213 V1231 | V1171-V1173 HydrophobicContact CG2-CG2 4.22Å; V1171-R1183 HydrophobicContact CB-CB 4.29Å; V1171-R1183 HydrophobicContact CG2-CB 4.13Å; V1171-S1184 WeakPolarHBondContact CA-O 3.42Å; V1171-K1210 CarbonylContact O-C 3.59Å; V1171-K1210 WeakPolarHBondContact O-CA 3.32Å; V1171-L1211 WeakPolarHBondContact CG2-O 3.49Å; V1171-L1211 PolarHBondContact N-O 2.81Å; V1171-L1211 PolarHBondContact O-N 3.39Å; V1171-L1211 VanDerWaalsContact O-O 3.06Å; V1171-T1213 HydrophobicContact CG1-CG2 4.32Å; V1171-V1231 HydrophobicContact CG2-CG1 3.58Å |
| 1172 | I | 93.1 | Very high | 84.5 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.3 | 168.8 | -53.2 | -58.3 | 0 | 0 | 0 | 108.3 | R1183 S1184 L1186 Y1189 I1208 K1210 W1239 L1478 | I1172-R1183 CarbonylContact O-C 3.58Å; I1172-R1183 VanDerWaalsContact O-CA 3.27Å; I1172-R1183 WeakPolarHBondContact O-CA 3.34Å; I1172-S1184 PolarHBondContact N-O 2.56Å; I1172-S1184 PolarHBondContact O-N 3.49Å; I1172-L1186 HydrophobicContact CD1-CD2 3.87Å; I1172-L1186 HydrophobicContact CG1-CD2 4.15Å; I1172-Y1189 HydrophobicContact CG1-CD1 4.23Å; I1172-Y1189 HydrophobicContact CG1-CD2 4.12Å; I1172-Y1189 HydrophobicContact CG1-CG 3.85Å; I1172-I1208 HydrophobicContact CG2-CG1 4.43Å; I1172-K1210 HydrophobicContact CD1-CB 3.75Å; I1172-K1210 HydrophobicContact CD1-CG 3.95Å; I1172-W1239 HydrophobicContact CB-CZ3 4.2Å; I1172-W1239 HydrophobicContact CG2-CH2 4.06Å; I1172-W1239 HydrophobicContact CG2-CZ3 3.58Å; I1172-L1478 HydrophobicContact CD1-CD1 4.41Å; I1172-L1478 HydrophobicContact CD1-CD2 4.45Å; I1172-L1478 HydrophobicContact CG2-CD1 4.15Å |
| 1173 | V | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.6 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | V1171 L1181 K1182 R1183 F1207 I1208 N1209 L1211 L1217 V1231 I1234 | V1171-V1173 HydrophobicContact CG2-CG2 4.22Å; V1173-L1181 HydrophobicContact CG1-CD1 3.98Å; V1173-K1182 WeakPolarHBondContact CA-O 3.27Å; V1173-R1183 HydrophobicContact CG2-CB 4.09Å; V1173-F1207 HydrophobicContact CB-CE1 4.36Å; V1173-F1207 HydrophobicContact CG1-CD1 4.48Å; V1173-F1207 HydrophobicContact CG1-CE1 4.21Å; V1173-I1208 WeakPolarHBondContact O-CA 3.47Å; V1173-N1209 PolarHBondContact N-O 2.58Å; V1173-N1209 PolarHBondContact O-N 3.43Å; V1173-N1209 VanDerWaalsContact O-N 3.13Å; V1173-L1211 HydrophobicContact CB-CD1 4.12Å; V1173-L1211 HydrophobicContact CG2-CB 4.32Å; V1173-L1211 HydrophobicContact CG2-CD1 3.94Å; V1173-L1211 HydrophobicContact CG2-CG 4.4Å; V1173-L1217 HydrophobicContact CG1-CD2 4.18Å; V1173-V1231 HydrophobicContact CG2-CG1 3.95Å; V1173-I1234 HydrophobicContact CG1-CD1 3.86Å; V1173-I1234 HydrophobicContact CG2-CD1 4.26Å |
| 1174 | T | 93 | Very high | 87.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.8 | 178.5 | -48.4 | 0 | 0 | 0 | 0 | 109.7 | L1181 K1182 I1205 F1207 | T1174-L1181 WeakPolarHBondContact O-CA 3.07Å; T1174-K1182 PolarHBondContact N-O 3.34Å; T1174-K1182 PolarHBondContact O-N 2.8Å; T1174-I1205 HydrophobicContact CG2-CD1 4.11Å; T1174-I1205 HydrophobicContact CG2-CG1 4.25Å; T1174-I1205 HydrophobicContact CG2-CG2 4.5Å; T1174-F1207 CarbonylContact C-O 3.58Å; T1174-F1207 WeakPolarHBondContact CA-O 3.39Å |
| 1175 | L | 94.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.6 | 177.1 | 175.4 | 63.4 | 0 | 0 | 0 | 110.8 | Y1180 L1181 I1206 F1207 I1219 I1246 I1259 A1262 | L1175-Y1180 WeakPolarHBondContact CA-O 3.25Å; L1175-L1181 HydrophobicContact CB-CD1 3.83Å; L1175-L1181 HydrophobicContact CD1-CB 3.97Å; L1175-L1181 HydrophobicContact CD1-CD1 3.98Å; L1175-L1181 HydrophobicContact CG-CD1 4.35Å; L1175-I1206 PolarHBondContact O-N 3.01Å; L1175-F1207 HydrophobicContact CB-CB 4.17Å; L1175-F1207 PolarHBondContact N-O 3.39Å; L1175-F1207 PolarHBondContact O-N 3.01Å; L1175-F1207 VanDerWaalsContact O-N 3.08Å; L1175-I1219 HydrophobicContact CD1-CD1 4.48Å; L1175-I1219 HydrophobicContact CD2-CB 4.29Å; L1175-I1219 HydrophobicContact CD2-CD1 3.79Å; L1175-I1219 HydrophobicContact CD2-CG1 3.73Å; L1175-I1219 HydrophobicContact CD2-CG2 3.66Å; L1175-I1246 HydrophobicContact CD1-CD1 3.75Å; L1175-I1259 HydrophobicContact CD1-CG1 4.39Å; L1175-I1259 HydrophobicContact CD2-CG2 3.85Å; L1175-I1259 HydrophobicContact CG-CG2 4.26Å; L1175-A1262 HydrophobicContact CD2-CB 3.76Å |
| 1176 | T | 93.1 | Very high | 89.7 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 168.2 | -179.8 | 76.7 | 0 | 0 | 0 | 0 | 113 | G1179 Y1180 M1199 D1203 S1204 | T1176-G1179 WeakPolarHBondContact O-CA 3.38Å; T1176-G1179 PolarHBondContact O-N 3.3Å; T1176-G1179 PolarHBondContact OG1-N 3.18Å; T1176-Y1180 PolarHBondContact N-O 2.8Å; T1176-Y1180 WeakPolarHBondContact OG1-CB 2.96Å; T1176-Y1180 PolarHBondContact OG1-N 3.16Å; T1176-M1199 HydrophobicContact CG2-CG 4Å; T1176-M1199 HydrophobicContact CG2-SD 3.98Å; T1176-D1203 WeakPolarHBondContact CB-OD2 2.92Å; T1176-D1203 PolarHBondContact OG1-OD2 2.76Å; T1176-S1204 CarbonylContact C-O 3.59Å; T1176-S1204 WeakPolarHBondContact CA-O 3.42Å; T1176-S1204 WeakPolarHBondContact CB-O 3.06Å |
| 1177 | K | 91.2 | Very high | 90.5 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -42.5 | -179.7 | -170.3 | -176.3 | -178.4 | -132.4 | 0 | 112.3 | G1179 D1203 S1204 I1206 E1258 I1259 | K1177-G1179 PolarHBondContact O-N 2.73Å; K1177-D1203 PolarHBondContact N-OD1 2.77Å; K1177-S1204 WeakPolarHBondContact CB-OG 3.39Å; K1177-S1204 PolarHBondContact N-O 2.85Å; K1177-I1206 VanDerWaalsContact CA-CG1 3.48Å; K1177-I1206 HydrophobicContact CB-CD1 4.02Å; K1177-I1206 HydrophobicContact CB-CG1 3.73Å; K1177-I1206 HydrophobicContact CG-CD1 4.15Å; K1177-I1206 HydrophobicContact CG-CG1 4.25Å; K1177-E1258 WeakPolarHBondContact CE-OE2 3.07Å; K1177-E1258 HydrophobicContact CG-CB 4.5Å; K1177-E1258 IonicContact NZ-OE1 3.22Å; K1177-E1258 IonicContact NZ-OE2 3.6Å; K1177-E1258 PolarHBondContact NZ-OE2 2.81Å; K1177-I1259 PolarHBondContact O-N 3.46Å |
| 1178 | E | 91 | Very high | 91.2 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 29% | 0.285 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.2 | 172.8 | -66.7 | -168.8 | -177.6 | 0 | 0 | 112.7 | Y1180 K1200 D1203 H1245 | E1178-Y1180 HydrophobicContact CB-CD2 4.14Å; E1178-Y1180 HydrophobicContact CB-CE2 4.06Å; E1178-K1200 IonicContact OE1-NZ 2.86Å; E1178-K1200 PolarHBondContact OE1-NZ 3.39Å; E1178-K1200 VanDerWaalsContact OE2-CD 3.26Å; E1178-K1200 WeakPolarHBondContact OE2-CD 3.23Å; E1178-K1200 IonicContact OE2-NZ 3.88Å; E1178-K1200 PolarHBondContact OE2-NZ 2.81Å; E1178-D1203 HydrophobicContact CG-CB 4.36Å; E1178-D1203 PolarHBondContact N-OD1 2.95Å; E1178-H1245 PolarHBondContact O-CD2 3.25Å; E1178-H1245 PolarHBondContact O-NE2 2.8Å |
| 1179 | G | 91.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | 95 | 31.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1176 K1177 H1245 I1246 | T1176-G1179 WeakPolarHBondContact O-CA 3.38Å; T1176-G1179 PolarHBondContact O-N 3.3Å; T1176-G1179 PolarHBondContact OG1-N 3.18Å; K1177-G1179 PolarHBondContact O-N 2.73Å; G1179-H1245 CarbonylContact O-C 3.53Å; G1179-H1245 WeakPolarHBondContact O-CA 3.25Å; G1179-I1246 WeakPolarHBondContact O-CD1 3.31Å; G1179-I1246 VanDerWaalsContact O-CG1 3.24Å; G1179-I1246 WeakPolarHBondContact O-CG1 3.46Å; G1179-I1246 PolarHBondContact O-N 2.84Å | ||
| 1180 | Y | 93.4 | Very high | 91.7 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.8 | 166.8 | -65.6 | -85.3 | 0 | 0 | 0 | 110.2 | L1175 T1176 E1178 K1200 D1203 V1242 G1243 E1244 H1245 | L1175-Y1180 WeakPolarHBondContact CA-O 3.25Å; T1176-Y1180 PolarHBondContact N-O 2.8Å; T1176-Y1180 WeakPolarHBondContact OG1-CB 2.96Å; T1176-Y1180 PolarHBondContact OG1-N 3.16Å; E1178-Y1180 HydrophobicContact CB-CD2 4.14Å; E1178-Y1180 HydrophobicContact CB-CE2 4.06Å; Y1180-K1200 HydrophobicContact CE2-CB 4.3Å; Y1180-K1200 HydrophobicContact CE2-CD 3.93Å; Y1180-D1203 WeakPolarHBondContact CD2-OD2 3.44Å; Y1180-V1242 HydrophobicContact CD1-CG1 3.92Å; Y1180-V1242 HydrophobicContact CE1-CG1 4.19Å; Y1180-V1242 HydrophobicContact CG-CG1 4.26Å; Y1180-G1243 VanDerWaalsContact CD1-O 3.25Å; Y1180-G1243 WeakPolarHBondContact CD1-O 3.26Å; Y1180-E1244 WeakPolarHBondContact CA-O 3.17Å; Y1180-H1245 HydrophobicContact CD1-CB 3.87Å; Y1180-H1245 HydrophobicContact CE1-CB 3.76Å; Y1180-H1245 AromaticContact CE2-CD2 3.9Å; Y1180-H1245 AromaticContact CZ-CD2 3.84Å |
| 1181 | L | 94.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.8 | -176.4 | -177.4 | 66.5 | 0 | 0 | 0 | 110.5 | V1173 T1174 L1175 L1217 I1219 R1229 I1234 E1244 I1246 | V1173-L1181 HydrophobicContact CG1-CD1 3.98Å; T1174-L1181 WeakPolarHBondContact O-CA 3.07Å; L1175-L1181 HydrophobicContact CB-CD1 3.83Å; L1175-L1181 HydrophobicContact CD1-CB 3.97Å; L1175-L1181 HydrophobicContact CD1-CD1 3.98Å; L1175-L1181 HydrophobicContact CG-CD1 4.35Å; L1181-L1217 HydrophobicContact CD1-CD2 4.02Å; L1181-I1219 HydrophobicContact CD1-CD1 4.49Å; L1181-I1219 HydrophobicContact CD2-CD1 4.04Å; L1181-R1229 HydrophobicContact CD2-CG 4.22Å; L1181-I1234 HydrophobicContact CD1-CD1 4.2Å; L1181-I1234 HydrophobicContact CD1-CG2 4.45Å; L1181-I1234 HydrophobicContact CD2-CD1 4.07Å; L1181-I1234 HydrophobicContact CD2-CG1 3.94Å; L1181-I1234 HydrophobicContact CD2-CG2 4.17Å; L1181-I1234 HydrophobicContact CG-CD1 4.29Å; L1181-I1234 HydrophobicContact CG-CG1 4.37Å; L1181-I1234 HydrophobicContact CG-CG2 3.78Å; L1181-E1244 PolarHBondContact N-O 3.17Å; L1181-E1244 PolarHBondContact O-N 3.43Å; L1181-I1246 HydrophobicContact CB-CG1 4.1Å |
| 1182 | K | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 162 | 171.9 | 64.3 | 177.8 | 177.5 | -174.1 | 0 | 112.5 | V1173 T1174 H1197 L1237 W1239 D1241 | V1173-K1182 WeakPolarHBondContact CA-O 3.27Å; T1174-K1182 PolarHBondContact N-O 3.34Å; T1174-K1182 PolarHBondContact O-N 2.8Å; K1182-H1197 PolarHBondContact NZ-O 3.22Å; K1182-L1237 HydrophobicContact CB-CB 4.33Å; K1182-L1237 HydrophobicContact CB-CD1 4.15Å; K1182-L1237 HydrophobicContact CD-CB 4.35Å; K1182-W1239 PolarHBondContact NZ-O 3.08Å; K1182-D1241 PolarHBondContact NZ-O 3.46Å |
| 1183 | R | 94.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.7 | 160.3 | 70.2 | 179.8 | 173.1 | 123.1 | 0.6 | 109.7 | V1171 I1172 V1173 T1213 V1231 I1234 T1235 E1236 L1237 | V1171-R1183 HydrophobicContact CB-CB 4.29Å; V1171-R1183 HydrophobicContact CG2-CB 4.13Å; I1172-R1183 CarbonylContact O-C 3.58Å; I1172-R1183 VanDerWaalsContact O-CA 3.27Å; I1172-R1183 WeakPolarHBondContact O-CA 3.34Å; V1173-R1183 HydrophobicContact CG2-CB 4.09Å; R1183-T1213 VanDerWaalsContact NH1-CG2 3.34Å; R1183-V1231 WeakPolarHBondContact CD-O 3.36Å; R1183-I1234 HydrophobicContact CB-CB 4.32Å; R1183-I1234 HydrophobicContact CB-CG2 4.1Å; R1183-I1234 VanDerWaalsContact CD-O 3.31Å; R1183-I1234 WeakPolarHBondContact CD-O 3.48Å; R1183-I1234 HydrophobicContact CG-CB 4.31Å; R1183-I1234 HydrophobicContact CG-CG2 4.33Å; R1183-I1234 WeakPolarHBondContact CG-O 3.19Å; R1183-I1234 VanDerWaalsContact N-CG2 3.35Å; R1183-I1234 PolarHBondContact NE-O 3.36Å; R1183-T1235 PolarHBondContact N-O 2.85Å; R1183-E1236 HydrophobicContact CG-CB 4.04Å; R1183-E1236 HydrophobicContact CG-CG 4.39Å; R1183-E1236 CarbonylContact O-C 3.55Å; R1183-E1236 VanDerWaalsContact O-CA 3.27Å; R1183-E1236 WeakPolarHBondContact O-CA 3.01Å; R1183-L1237 PolarHBondContact O-N 3.31Å |
| 1184 | S | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.5 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 109.2 | V1171 I1172 L1237 W1239 | V1171-S1184 WeakPolarHBondContact CA-O 3.42Å; I1172-S1184 PolarHBondContact N-O 2.56Å; I1172-S1184 PolarHBondContact O-N 3.49Å; S1184-L1237 WeakPolarHBondContact CA-O 3.31Å; S1184-L1237 WeakPolarHBondContact CB-O 3.03Å; S1184-L1237 PolarHBondContact OG-O 2.99Å; S1184-W1239 PolarHBondContact OG-N 2.7Å |
| 1185 | S | 91.1 | Very high | 88.8 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 146.7 | 171.9 | 53.3 | 0 | 0 | 0 | 0 | 111 | R1187 S1188 Y1189 | S1185-R1187 PolarHBondContact O-N 3.01Å; S1185-R1187 VanDerWaalsContact O-N 3.09Å; S1185-S1188 PolarHBondContact O-N 2.94Å; S1185-Y1189 PolarHBondContact O-N 3.08Å; S1185-Y1189 VanDerWaalsContact O-N 3.07Å |
| 1186 | L | 88.7 | Confident | 88.2 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.5 | -32.9 | 174.8 | -71.9 | 175.2 | 0 | 0 | 0 | 112.4 | D1170 I1172 Y1189 N1190 K1210 | D1170-L1186 HydrophobicContact CB-CD1 3.61Å; D1170-L1186 HydrophobicContact CB-CG 4.27Å; I1172-L1186 HydrophobicContact CD1-CD2 3.87Å; I1172-L1186 HydrophobicContact CG1-CD2 4.15Å; L1186-Y1189 PolarHBondContact O-N 3.28Å; L1186-N1190 VanDerWaalsContact O-CB 3.32Å; L1186-N1190 WeakPolarHBondContact O-CB 3.33Å; L1186-N1190 PolarHBondContact O-N 3.3Å; L1186-N1190 PolarHBondContact O-ND2 2.71Å; L1186-K1210 HydrophobicContact CD2-CD 4.43Å |
| 1187 | R | 87.8 | Confident | 87.5 | Confident | 206 Ų | 206 | 58.8 Ų | 58.8 | 78% | 0.777 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 174.5 | -173.9 | 179.9 | 68.1 | -144.9 | -3.4 | 112 | S1185 A1191 | S1185-R1187 PolarHBondContact O-N 3.01Å; S1185-R1187 VanDerWaalsContact O-N 3.09Å; R1187-A1191 VanDerWaalsContact O-CB 3.29Å; R1187-A1191 WeakPolarHBondContact O-CB 3.31Å; R1187-A1191 PolarHBondContact O-N 3.24Å |
| 1188 | S | 88.1 | Confident | 87.1 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 179 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | S1185 S1192 K1238 W1239 | S1185-S1188 PolarHBondContact O-N 2.94Å; S1188-S1192 PolarHBondContact O-OG 3.11Å; S1188-K1238 WeakPolarHBondContact OG-CA 3.5Å; S1188-W1239 WeakPolarHBondContact O-CB 3.29Å; S1188-W1239 PolarHBondContact OG-N 2.97Å |
| 1189 | Y | 87.5 | Confident | 86.8 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -56 | 175.6 | 175.2 | -106.4 | 0 | 0 | 0 | 110.8 | I1172 S1185 L1186 A1191 S1192 W1239 L1478 | I1172-Y1189 HydrophobicContact CG1-CD1 4.23Å; I1172-Y1189 HydrophobicContact CG1-CD2 4.12Å; I1172-Y1189 HydrophobicContact CG1-CG 3.85Å; S1185-Y1189 PolarHBondContact O-N 3.08Å; S1185-Y1189 VanDerWaalsContact O-N 3.07Å; L1186-Y1189 PolarHBondContact O-N 3.28Å; Y1189-A1191 PolarHBondContact O-N 3.14Å; Y1189-A1191 VanDerWaalsContact O-N 3.11Å; Y1189-S1192 PolarHBondContact O-N 3.26Å; Y1189-W1239 AromaticContact CD2-CD2 3.63Å; Y1189-W1239 HydrophobicContact CD2-CD2 3.63Å; Y1189-W1239 AromaticContact CD2-CE2 3.58Å; Y1189-W1239 AromaticContact CD2-CE3 3.71Å; Y1189-W1239 HydrophobicContact CD2-CE3 3.71Å; Y1189-W1239 HydrophobicContact CD2-CG 4.36Å; Y1189-W1239 AromaticContact CD2-CH2 3.69Å; Y1189-W1239 HydrophobicContact CD2-CH2 3.69Å; Y1189-W1239 AromaticContact CD2-CZ2 3.59Å; Y1189-W1239 HydrophobicContact CD2-CZ2 3.59Å; Y1189-W1239 AromaticContact CD2-CZ3 3.76Å; Y1189-W1239 HydrophobicContact CD2-CZ3 3.76Å; Y1189-W1239 HydrophobicContact CE2-CD2 4.35Å; Y1189-W1239 AromaticContact CE2-CE2 3.84Å; Y1189-W1239 AromaticContact CE2-CH2 3.69Å; Y1189-W1239 HydrophobicContact CE2-CH2 3.69Å; Y1189-W1239 AromaticContact CE2-CZ2 3.45Å; Y1189-W1239 HydrophobicContact CE2-CZ2 3.45Å; Y1189-W1239 VanDerWaalsContact CE2-CZ2 3.45Å; Y1189-W1239 HydrophobicContact CE2-CZ3 4.23Å; Y1189-L1478 HydrophobicContact CE1-CD2 4.15Å; Y1189-L1478 HydrophobicContact CE2-CD2 4.23Å; Y1189-L1478 VanDerWaalsContact OH-CD2 3.22Å; Y1189-L1478 WeakPolarHBondContact OH-CD2 3.35Å |
| 1190 | N | 86.7 | Confident | 86.4 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 66% | 0.658 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.2 | -21 | -179 | -68.7 | -21.8 | 0 | 0 | 0 | 114.3 | L1186 S1192 | L1186-N1190 VanDerWaalsContact O-CB 3.32Å; L1186-N1190 WeakPolarHBondContact O-CB 3.33Å; L1186-N1190 PolarHBondContact O-N 3.3Å; L1186-N1190 PolarHBondContact O-ND2 2.71Å; N1190-S1192 VanDerWaalsContact C-N 3.31Å |
| 1191 | A | 86.6 | Confident | 85.7 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1187 Y1189 | R1187-A1191 VanDerWaalsContact O-CB 3.29Å; R1187-A1191 WeakPolarHBondContact O-CB 3.31Å; R1187-A1191 PolarHBondContact O-N 3.24Å; Y1189-A1191 PolarHBondContact O-N 3.14Å; Y1189-A1191 VanDerWaalsContact O-N 3.11Å |
| 1192 | S | 85.7 | Confident | 85 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -128.1 | 166.3 | -175.1 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | S1188 Y1189 N1190 W1239 K1240 | S1188-S1192 PolarHBondContact O-OG 3.11Å; Y1189-S1192 PolarHBondContact O-N 3.26Å; N1190-S1192 VanDerWaalsContact C-N 3.31Å; S1192-W1239 VanDerWaalsContact CB-CD1 3.44Å; S1192-K1240 VanDerWaalsContact OG-CE 3.24Å; S1192-K1240 WeakPolarHBondContact OG-CE 3.39Å |
| 1193 | R | 79.8 | Confident | 84.7 | Confident | 154 Ų | 154 | 69 Ų | 69 | 58% | 0.581 | 37% | 0.373 | S | S | * | . | trans | -77.3 | 144.9 | 172.2 | -53.5 | 176.8 | 68.1 | -164.1 | -2.4 | 109.6 | D1195 E1196 W1239 | R1193-D1195 WeakPolarHBondContact CB-OD1 3.41Å; R1193-D1195 IonicContact CZ-OD1 3.87Å; R1193-D1195 IonicContact CZ-OD2 3.16Å; R1193-D1195 IonicContact NE-OD1 2.65Å; R1193-D1195 IonicContact NH1-OD2 2.99Å; R1193-D1195 PolarHBondContact O-N 2.74Å; R1193-D1195 VanDerWaalsContact O-N 3.15Å; R1193-E1196 HydrophobicContact CB-CG 4.1Å; R1193-E1196 WeakPolarHBondContact O-CB 3.31Å; R1193-E1196 PolarHBondContact O-N 3.09Å; R1193-W1239 PolarHBondContact O-NE1 2.87Å | ||
| 1194 | P | 75.9 | Confident | 84.3 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -30.8 | 180 | -27.1 | 35.4 | 0 | 0 | 0 | 114.1 | E1196 H1197 W1239 | P1194-E1196 VanDerWaalsContact C-N 3.31Å; P1194-E1196 PolarHBondContact O-N 2.82Å; P1194-H1197 PolarHBondContact O-ND1 3.34Å; P1194-W1239 WeakPolarHBondContact O-CZ2 3.49Å |
| 1195 | D | 75 | Confident | 84.1 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.9 | 176.9 | 55 | -51.4 | 0 | 0 | 0 | 114.3 | R1193 H1197 | R1193-D1195 WeakPolarHBondContact CB-OD1 3.41Å; R1193-D1195 IonicContact CZ-OD1 3.87Å; R1193-D1195 IonicContact CZ-OD2 3.16Å; R1193-D1195 IonicContact NE-OD1 2.65Å; R1193-D1195 IonicContact NH1-OD2 2.99Å; R1193-D1195 PolarHBondContact O-N 2.74Å; R1193-D1195 VanDerWaalsContact O-N 3.15Å; D1195-H1197 VanDerWaalsContact C-N 3.27Å; D1195-H1197 PolarHBondContact O-N 3.49Å; D1195-H1197 PolarHBondContact O-ND1 2.87Å |
| 1196 | E | 81.8 | Confident | 84 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | trans | -90.5 | 40.2 | 179.5 | -65.2 | 179.2 | 163.7 | 0 | 0 | 112.7 | R1193 P1194 G1198 W1239 K1240 | R1193-E1196 HydrophobicContact CB-CG 4.1Å; R1193-E1196 WeakPolarHBondContact O-CB 3.31Å; R1193-E1196 PolarHBondContact O-N 3.09Å; P1194-E1196 VanDerWaalsContact C-N 3.31Å; P1194-E1196 PolarHBondContact O-N 2.82Å; E1196-G1198 PolarHBondContact O-N 3.22Å; E1196-G1198 VanDerWaalsContact O-N 3.16Å; E1196-W1239 VanDerWaalsContact O-CD1 3.32Å; E1196-K1240 HydrophobicContact CB-CG 4.33Å; E1196-K1240 VanDerWaalsContact O-CA 3.25Å; E1196-K1240 WeakPolarHBondContact O-CA 3.4Å; E1196-K1240 IonicContact OE1-NZ 3.95Å; E1196-K1240 WeakPolarHBondContact OE2-CE 3.34Å; E1196-K1240 IonicContact OE2-NZ 3.86Å; E1196-K1240 PolarHBondContact OE2-NZ 2.81Å | ||
| 1197 | H | 78.2 | Confident | 84.1 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | trans | -80 | 15.8 | -172.6 | 53.4 | -98.3 | 0 | 0 | 0 | 114.9 | K1182 P1194 D1195 W1239 | K1182-H1197 PolarHBondContact NZ-O 3.22Å; P1194-H1197 PolarHBondContact O-ND1 3.34Å; D1195-H1197 VanDerWaalsContact C-N 3.27Å; D1195-H1197 PolarHBondContact O-N 3.49Å; D1195-H1197 PolarHBondContact O-ND1 2.87Å; H1197-W1239 CarbonylContact C-O 3.57Å; H1197-W1239 VanDerWaalsContact CA-O 3.29Å; H1197-W1239 WeakPolarHBondContact CA-O 3.17Å; H1197-W1239 HydrophobicContact CB-CD2 4.28Å; H1197-W1239 HydrophobicContact CB-CH2 3.87Å; H1197-W1239 HydrophobicContact CB-CZ2 3.43Å; H1197-W1239 VanDerWaalsContact CB-CZ2 3.43Å; H1197-W1239 HydrophobicContact CB-CZ3 4.44Å | ||
| 1198 | G | 82.1 | Confident | 84.3 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | trans | 52.4 | 87 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1196 K1240 V1242 | E1196-G1198 PolarHBondContact O-N 3.22Å; E1196-G1198 VanDerWaalsContact O-N 3.16Å; G1198-K1240 WeakPolarHBondContact CA-O 3.22Å; G1198-V1242 WeakPolarHBondContact O-CA 3.14Å | ||
| 1199 | M | 85.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | trans | -131.9 | 152.9 | -179.3 | -174.9 | 170.6 | 67.4 | 0 | 0 | 110.1 | T1176 D1203 I1205 | T1176-M1199 HydrophobicContact CG2-CG 4Å; T1176-M1199 HydrophobicContact CG2-SD 3.98Å; M1199-D1203 WeakPolarHBondContact CE-O 3.42Å; M1199-D1203 HydrophobicContact CG-CB 3.95Å; M1199-D1203 HydrophobicContact SD-CB 4.22Å; M1199-I1205 HydrophobicContact SD-CG1 3.94Å | ||
| 1200 | K | 84.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 64 Ų | 64 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | trans | -67.5 | 140.5 | 174.2 | -176.5 | -170.9 | 169.8 | -155.2 | 0 | 110.1 | E1178 Y1180 G1202 D1203 | E1178-K1200 IonicContact OE1-NZ 2.86Å; E1178-K1200 PolarHBondContact OE1-NZ 3.39Å; E1178-K1200 VanDerWaalsContact OE2-CD 3.26Å; E1178-K1200 WeakPolarHBondContact OE2-CD 3.23Å; E1178-K1200 IonicContact OE2-NZ 3.88Å; E1178-K1200 PolarHBondContact OE2-NZ 2.81Å; Y1180-K1200 HydrophobicContact CE2-CB 4.3Å; Y1180-K1200 HydrophobicContact CE2-CD 3.93Å; K1200-G1202 PolarHBondContact O-N 2.87Å; K1200-D1203 HydrophobicContact CB-CB 4.22Å; K1200-D1203 WeakPolarHBondContact O-CB 3.49Å; K1200-D1203 PolarHBondContact O-N 2.93Å; K1200-D1203 VanDerWaalsContact O-N 3.12Å | ||
| 1201 | D | 78.3 | Confident | 85.1 | Confident | 159 Ų | 159 | 58.7 Ų | 58.7 | 85% | 0.85 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.2 | 175.8 | -69.1 | -24.4 | 0 | 0 | 0 | 111.2 | ||
| 1202 | G | 80.3 | Confident | 85.4 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 84% | 0.835 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -5.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1200 | K1200-G1202 PolarHBondContact O-N 2.87Š|
| 1203 | D | 88.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | trans | -85.3 | 171.3 | 172.7 | -163.3 | 4 | 0 | 0 | 0 | 111.1 | T1176 K1177 E1178 Y1180 M1199 K1200 | T1176-D1203 WeakPolarHBondContact CB-OD2 2.92Å; T1176-D1203 PolarHBondContact OG1-OD2 2.76Å; K1177-D1203 PolarHBondContact N-OD1 2.77Å; E1178-D1203 HydrophobicContact CG-CB 4.36Å; E1178-D1203 PolarHBondContact N-OD1 2.95Å; Y1180-D1203 WeakPolarHBondContact CD2-OD2 3.44Å; M1199-D1203 WeakPolarHBondContact CE-O 3.42Å; M1199-D1203 HydrophobicContact CG-CB 3.95Å; M1199-D1203 HydrophobicContact SD-CB 4.22Å; K1200-D1203 HydrophobicContact CB-CB 4.22Å; K1200-D1203 WeakPolarHBondContact O-CB 3.49Å; K1200-D1203 PolarHBondContact O-N 2.93Å; K1200-D1203 VanDerWaalsContact O-N 3.12Å | ||
| 1204 | S | 85.5 | Confident | 85.9 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | trans | -143.3 | 149.5 | -179.2 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | T1176 K1177 | T1176-S1204 CarbonylContact C-O 3.59Å; T1176-S1204 WeakPolarHBondContact CA-O 3.42Å; T1176-S1204 WeakPolarHBondContact CB-O 3.06Å; K1177-S1204 WeakPolarHBondContact CB-OG 3.39Å; K1177-S1204 PolarHBondContact N-O 2.85Å | ||
| 1205 | I | 88.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129 | 176.8 | -64.7 | 177.6 | 0 | 0 | 0 | 109.8 | T1174 M1199 I1208 Q1476 | T1174-I1205 HydrophobicContact CG2-CD1 4.11Å; T1174-I1205 HydrophobicContact CG2-CG1 4.25Å; T1174-I1205 HydrophobicContact CG2-CG2 4.5Å; M1199-I1205 HydrophobicContact SD-CG1 3.94Å; I1205-I1208 HydrophobicContact CG2-CB 3.99Å; I1205-I1208 HydrophobicContact CG2-CG2 4.01Å; I1205-Q1476 HydrophobicContact CG2-CB 4.32Å |
| 1206 | I | 88.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -25.4 | 172.1 | -65.2 | -65.2 | 0 | 0 | 0 | 111.7 | L1175 K1177 I1259 Q1476 | L1175-I1206 PolarHBondContact O-N 3.01Å; K1177-I1206 VanDerWaalsContact CA-CG1 3.48Å; K1177-I1206 HydrophobicContact CB-CD1 4.02Å; K1177-I1206 HydrophobicContact CB-CG1 3.73Å; K1177-I1206 HydrophobicContact CG-CD1 4.15Å; K1177-I1206 HydrophobicContact CG-CG1 4.25Å; I1206-I1259 HydrophobicContact CB-CG2 4.5Å; I1206-I1259 HydrophobicContact CG2-CG2 4.1Å; I1206-Q1476 VanDerWaalsContact O-CD 3.27Å; I1206-Q1476 PolarHBondContact O-NE2 3.25Å; I1206-Q1476 PolarHBondContact O-OE1 3.06Å |
| 1207 | F | 91.7 | Very high | 88.3 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 133.5 | 179.1 | 175.1 | -94.7 | 0 | 0 | 0 | 111.9 | V1173 T1174 L1175 N1209 L1211 L1217 A1262 P1264 | V1173-F1207 HydrophobicContact CB-CE1 4.36Å; V1173-F1207 HydrophobicContact CG1-CD1 4.48Å; V1173-F1207 HydrophobicContact CG1-CE1 4.21Å; T1174-F1207 CarbonylContact C-O 3.58Å; T1174-F1207 WeakPolarHBondContact CA-O 3.39Å; L1175-F1207 HydrophobicContact CB-CB 4.17Å; L1175-F1207 PolarHBondContact N-O 3.39Å; L1175-F1207 PolarHBondContact O-N 3.01Å; L1175-F1207 VanDerWaalsContact O-N 3.08Å; F1207-N1209 HydrophobicContact CE1-CB 3.93Å; F1207-N1209 HydrophobicContact CE2-CB 3.86Å; F1207-N1209 HydrophobicContact CZ-CB 3.38Å; F1207-L1211 HydrophobicContact CE1-CD1 4.25Å; F1207-L1211 HydrophobicContact CZ-CD1 4.27Å; F1207-L1217 HydrophobicContact CD1-CD1 4.26Å; F1207-L1217 HydrophobicContact CE1-CD1 3.78Å; F1207-L1217 HydrophobicContact CZ-CD1 3.94Å; F1207-A1262 HydrophobicContact CB-CB 3.58Å; F1207-A1262 HydrophobicContact CD1-CB 4.19Å; F1207-A1262 HydrophobicContact CD2-CB 3.91Å; F1207-A1262 HydrophobicContact CG-CB 3.64Å; F1207-P1264 HydrophobicContact CE2-CB 4.5Å; F1207-P1264 HydrophobicContact CE2-CG 3.78Å; F1207-P1264 HydrophobicContact CZ-CB 4Å; F1207-P1264 HydrophobicContact CZ-CG 3.73Å |
| 1208 | I | 91.9 | Very high | 89.2 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 116.8 | 175.9 | 180 | 168.4 | 0 | 0 | 0 | 108.9 | I1172 V1173 I1205 W1239 Q1476 L1478 | I1172-I1208 HydrophobicContact CG2-CG1 4.43Å; V1173-I1208 WeakPolarHBondContact O-CA 3.47Å; I1205-I1208 HydrophobicContact CG2-CB 3.99Å; I1205-I1208 HydrophobicContact CG2-CG2 4.01Å; I1208-W1239 HydrophobicContact CD1-CH2 3.74Å; I1208-W1239 HydrophobicContact CD1-CZ2 4.48Å; I1208-Q1476 HydrophobicContact CG2-CB 4.3Å; I1208-L1478 HydrophobicContact CD1-CB 4.05Å; I1208-L1478 HydrophobicContact CD1-CD1 4.29Å; I1208-L1478 HydrophobicContact CG1-CB 4.13Å; I1208-L1478 HydrophobicContact CG1-CD1 3.62Å; I1208-L1478 HydrophobicContact CG1-CG 4.49Å |
| 1209 | N | 92 | Very high | 89.8 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 156.7 | -178.4 | -151 | -32.4 | 0 | 0 | 0 | 112.4 | V1173 F1207 | V1173-N1209 PolarHBondContact N-O 2.58Å; V1173-N1209 PolarHBondContact O-N 3.43Å; V1173-N1209 VanDerWaalsContact O-N 3.13Å; F1207-N1209 HydrophobicContact CE1-CB 3.93Å; F1207-N1209 HydrophobicContact CE2-CB 3.86Å; F1207-N1209 HydrophobicContact CZ-CB 3.38Å |
| 1210 | K | 93.9 | Very high | 90.3 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.4 | 172.1 | -175.3 | -173.3 | 175.1 | -161.2 | 0 | 110.1 | D1170 V1171 I1172 L1186 | D1170-K1210 WeakPolarHBondContact OD2-CE 3.23Å; D1170-K1210 IonicContact OD2-NZ 3.39Å; D1170-K1210 PolarHBondContact OD2-NZ 2.56Å; V1171-K1210 CarbonylContact O-C 3.59Å; V1171-K1210 WeakPolarHBondContact O-CA 3.32Å; I1172-K1210 HydrophobicContact CD1-CB 3.75Å; I1172-K1210 HydrophobicContact CD1-CG 3.95Å; L1186-K1210 HydrophobicContact CD2-CD 4.43Å |
| 1211 | L | 93.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 161.2 | -177.6 | -58.4 | 179.7 | 0 | 0 | 0 | 111.6 | V1171 V1173 F1207 D1215 V1231 P1264 | V1171-L1211 WeakPolarHBondContact CG2-O 3.49Å; V1171-L1211 PolarHBondContact N-O 2.81Å; V1171-L1211 PolarHBondContact O-N 3.39Å; V1171-L1211 VanDerWaalsContact O-O 3.06Å; V1173-L1211 HydrophobicContact CB-CD1 4.12Å; V1173-L1211 HydrophobicContact CG2-CB 4.32Å; V1173-L1211 HydrophobicContact CG2-CD1 3.94Å; V1173-L1211 HydrophobicContact CG2-CG 4.4Å; F1207-L1211 HydrophobicContact CE1-CD1 4.25Å; F1207-L1211 HydrophobicContact CZ-CD1 4.27Å; L1211-D1215 HydrophobicContact CB-CB 4.38Å; L1211-V1231 HydrophobicContact CB-CG2 4.14Å; L1211-V1231 HydrophobicContact CD1-CG2 3.85Å; L1211-P1264 HydrophobicContact CD1-CB 3.99Å; L1211-P1264 HydrophobicContact CD2-CB 3.61Å; L1211-P1264 HydrophobicContact CD2-CG 4.31Å; L1211-P1264 HydrophobicContact CG-CB 4.49Å |
| 1212 | N | 91.7 | Very high | 91.5 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 18% | 0.176 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 152.2 | 169.9 | -168.8 | -89.4 | 0 | 0 | 0 | 111.1 | E1169 L1214 D1215 V1231 | E1169-N1212 CarbonylContact O-C 3.55Å; E1169-N1212 WeakPolarHBondContact O-CA 3.24Å; E1169-N1212 PolarHBondContact O-ND2 2.84Å; N1212-L1214 PolarHBondContact O-N 3.29Å; N1212-L1214 VanDerWaalsContact O-N 3.14Å; N1212-L1214 WeakPolarHBondContact OD1-CB 3.41Å; N1212-L1214 PolarHBondContact OD1-N 2.68Å; N1212-D1215 PolarHBondContact N-OD2 2.92Å; N1212-D1215 VanDerWaalsContact O-CB 3.31Å; N1212-D1215 WeakPolarHBondContact O-CB 3.27Å; N1212-D1215 PolarHBondContact O-N 3.12Å; N1212-V1231 WeakPolarHBondContact O-CB 3.15Å; N1212-V1231 WeakPolarHBondContact O-CG1 3.33Å |
| 1213 | T | 88.4 | Confident | 92.2 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.7 | 175 | 46.5 | 0 | 0 | 0 | 0 | 114.5 | A1167 Q1168 E1169 V1171 R1183 H1232 | A1167-T1213 PolarHBondContact O-OG1 3.08Å; Q1168-T1213 WeakPolarHBondContact CA-OG1 3.35Å; E1169-T1213 HydrophobicContact CB-CG2 4.1Å; E1169-T1213 PolarHBondContact N-OG1 2.79Å; E1169-T1213 PolarHBondContact O-N 2.84Å; V1171-T1213 HydrophobicContact CG1-CG2 4.32Å; R1183-T1213 VanDerWaalsContact NH1-CG2 3.34Å; T1213-H1232 WeakPolarHBondContact O-CB 3.35Å; T1213-H1232 PolarHBondContact O-N 3.05Å |
| 1214 | L | 88.1 | Confident | 92.4 | Very high | 42 Ų | 42 | 22 Ų | 22 | 22% | 0.22 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.8 | 174.8 | -61.8 | -174.7 | 0 | 0 | 0 | 114.1 | I1166 Q1168 N1212 | I1166-L1214 HydrophobicContact CB-CD2 4.07Å; I1166-L1214 HydrophobicContact CD1-CD2 4.25Å; I1166-L1214 HydrophobicContact CG2-CD2 3.89Å; Q1168-L1214 HydrophobicContact CG-CD1 3.53Å; Q1168-L1214 HydrophobicContact CG-CG 4.03Å; N1212-L1214 PolarHBondContact O-N 3.29Å; N1212-L1214 VanDerWaalsContact O-N 3.14Å; N1212-L1214 WeakPolarHBondContact OD1-CB 3.41Å; N1212-L1214 PolarHBondContact OD1-N 2.68Å |
| 1215 | D | 93.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 10% | 0.102 | 11% | 0.108 | C | C | . | . | trans | -72.7 | 174.1 | 178.2 | -64.5 | -21 | 0 | 0 | 0 | 111.6 | L1211 N1212 V1231 K1266 | L1211-D1215 HydrophobicContact CB-CB 4.38Å; N1212-D1215 PolarHBondContact N-OD2 2.92Å; N1212-D1215 VanDerWaalsContact O-CB 3.31Å; N1212-D1215 WeakPolarHBondContact O-CB 3.27Å; N1212-D1215 PolarHBondContact O-N 3.12Å; D1215-V1231 HydrophobicContact CB-CG2 4.02Å; D1215-V1231 WeakPolarHBondContact O-CG2 3.5Å; D1215-V1231 PolarHBondContact O-N 2.87Å; D1215-K1266 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 1216 | H | 94.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 20.8 Ų | 20.8 | 20% | 0.199 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.3 | -175.2 | -60.4 | -51 | 0 | 0 | 0 | 112.5 | Y1228 P1264 Y1265 K1266 | H1216-Y1228 HydrophobicContact CB-CE2 3.85Å; H1216-Y1228 PolarHBondContact CE1-OH 3.14Å; H1216-Y1228 VanDerWaalsContact CE1-OH 3.27Å; H1216-Y1228 AromaticContact CG-CE2 3.89Å; H1216-Y1228 AromaticContact ND1-CE2 3.83Å; H1216-Y1228 AromaticContact ND1-CZ 3.83Å; H1216-Y1228 PolarHBondContact ND1-OH 3.28Å; H1216-P1264 CarbonylContact O-C 3.59Å; H1216-P1264 VanDerWaalsContact O-CA 3.31Å; H1216-P1264 WeakPolarHBondContact O-CA 3.37Å; H1216-Y1265 HydrophobicContact CB-CD1 3.79Å; H1216-Y1265 HydrophobicContact CB-CD2 3.98Å; H1216-Y1265 HydrophobicContact CB-CE1 3.32Å; H1216-Y1265 HydrophobicContact CB-CE2 3.56Å; H1216-Y1265 HydrophobicContact CB-CG 4.11Å; H1216-Y1265 WeakPolarHBondContact CB-O 3.4Å; H1216-Y1265 AromaticContact CD2-CE2 3.44Å; H1216-Y1265 VanDerWaalsContact CD2-CE2 3.44Å; H1216-Y1265 WeakPolarHBondContact CD2-CE2 3.38Å; H1216-Y1265 AromaticContact CD2-CZ 3.9Å; H1216-Y1265 AromaticContact CG-CE2 3.79Å; H1216-Y1265 AromaticContact CG-CZ 3.77Å; H1216-Y1265 PolarHBondContact N-O 3.05Å; H1216-Y1265 PolarHBondContact O-N 3.45Å; H1216-K1266 PolarHBondContact CD2-O 3.06Å; H1216-K1266 VanDerWaalsContact CD2-O 3.3Å |
| 1217 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.5 | -179 | -168 | 66.5 | 0 | 0 | 0 | 111 | V1173 L1181 F1207 I1219 Y1228 R1229 I1234 A1262 P1264 | V1173-L1217 HydrophobicContact CG1-CD2 4.18Å; L1181-L1217 HydrophobicContact CD1-CD2 4.02Å; F1207-L1217 HydrophobicContact CD1-CD1 4.26Å; F1207-L1217 HydrophobicContact CE1-CD1 3.78Å; F1207-L1217 HydrophobicContact CZ-CD1 3.94Å; L1217-I1219 HydrophobicContact CD2-CD1 3.92Å; L1217-I1219 HydrophobicContact CD2-CG1 3.9Å; L1217-I1219 HydrophobicContact CG-CD1 4.42Å; L1217-I1219 HydrophobicContact CG-CG1 3.93Å; L1217-Y1228 WeakPolarHBondContact O-CA 3.5Å; L1217-R1229 WeakPolarHBondContact CB-O 3.29Å; L1217-R1229 PolarHBondContact N-O 3.14Å; L1217-R1229 PolarHBondContact O-N 3.38Å; L1217-I1234 HydrophobicContact CD2-CD1 4.33Å; L1217-A1262 HydrophobicContact CD1-CB 4.02Å; L1217-A1262 HydrophobicContact CG-CB 4.49Å; L1217-P1264 HydrophobicContact CD1-CB 4.23Å |
| 1218 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.1 | 167.1 | -72 | 176.4 | 0 | 0 | 0 | 109.5 | M1226 I1227 Y1228 A1262 F1263 Y1265 F1274 M1288 F1291 | L1218-M1226 HydrophobicContact CB-SD 3.77Å; L1218-M1226 HydrophobicContact CD2-CG 4.03Å; L1218-M1226 HydrophobicContact CD2-SD 4.18Å; L1218-M1226 HydrophobicContact CG-SD 4.39Å; L1218-I1227 CarbonylContact C-O 3.48Å; L1218-I1227 WeakPolarHBondContact CA-O 3.12Å; L1218-Y1228 HydrophobicContact CD2-CD2 4.24Å; L1218-A1262 CarbonylContact O-C 3.59Å; L1218-A1262 VanDerWaalsContact O-CA 3.24Å; L1218-A1262 WeakPolarHBondContact O-CA 3.3Å; L1218-F1263 HydrophobicContact CB-CB 4.34Å; L1218-F1263 PolarHBondContact N-O 3.16Å; L1218-F1263 PolarHBondContact O-N 3.41Å; L1218-Y1265 HydrophobicContact CD1-CD1 4.48Å; L1218-Y1265 HydrophobicContact CD1-CE1 4.21Å; L1218-Y1265 HydrophobicContact CD2-CE1 4.4Å; L1218-Y1265 HydrophobicContact CG-CD1 4.25Å; L1218-Y1265 HydrophobicContact CG-CE1 3.77Å; L1218-F1274 HydrophobicContact CD1-CE2 3.91Å; L1218-F1274 HydrophobicContact CD1-CZ 3.79Å; L1218-M1288 HydrophobicContact CD1-CE 4.24Å; L1218-M1288 HydrophobicContact CD1-CG 4.48Å; L1218-F1291 HydrophobicContact CD1-CB 4.11Å; L1218-F1291 HydrophobicContact CD2-CB 4.01Å |
| 1219 | I | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.6 | -176.9 | -55.5 | 168.2 | 0 | 0 | 0 | 108.6 | L1175 L1181 L1217 M1226 I1227 I1246 I1259 A1262 | L1175-I1219 HydrophobicContact CD1-CD1 4.48Å; L1175-I1219 HydrophobicContact CD2-CB 4.29Å; L1175-I1219 HydrophobicContact CD2-CD1 3.79Å; L1175-I1219 HydrophobicContact CD2-CG1 3.73Å; L1175-I1219 HydrophobicContact CD2-CG2 3.66Å; L1181-I1219 HydrophobicContact CD1-CD1 4.49Å; L1181-I1219 HydrophobicContact CD2-CD1 4.04Å; L1217-I1219 HydrophobicContact CD2-CD1 3.92Å; L1217-I1219 HydrophobicContact CD2-CG1 3.9Å; L1217-I1219 HydrophobicContact CG-CD1 4.42Å; L1217-I1219 HydrophobicContact CG-CG1 3.93Å; I1219-M1226 CarbonylContact O-C 3.52Å; I1219-M1226 WeakPolarHBondContact O-CA 3.44Å; I1219-I1227 HydrophobicContact CB-CB 4.11Å; I1219-I1227 HydrophobicContact CD1-CG2 4.46Å; I1219-I1227 PolarHBondContact N-O 3.36Å; I1219-I1227 PolarHBondContact O-N 3.26Å; I1219-I1246 HydrophobicContact CD1-CD1 4.23Å; I1219-I1259 HydrophobicContact CG2-CD1 3.81Å; I1219-I1259 HydrophobicContact CG2-CG1 4.32Å; I1219-I1259 HydrophobicContact CG2-CG2 3.59Å; I1219-A1262 HydrophobicContact CG1-CB 4.39Å |
| 1220 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141 | -179 | -172.2 | 73.7 | 0 | 0 | 0 | 111.6 | N1225 M1226 I1260 A1261 F1276 A1304 I1314 V1317 | L1220-N1225 WeakPolarHBondContact CA-O 3.42Å; L1220-N1225 WeakPolarHBondContact CD1-O 3.25Å; L1220-M1226 HydrophobicContact CD1-CE 4.07Å; L1220-M1226 HydrophobicContact CD1-SD 4.48Å; L1220-I1260 HydrophobicContact CB-CD1 4.48Å; L1220-I1260 HydrophobicContact CB-CG1 4.05Å; L1220-I1260 HydrophobicContact CD2-CD1 3.45Å; L1220-I1260 VanDerWaalsContact CD2-CD1 3.45Å; L1220-I1260 HydrophobicContact CD2-CG1 3.9Å; L1220-I1260 HydrophobicContact CG-CD1 3.8Å; L1220-I1260 HydrophobicContact CG-CG1 3.89Å; L1220-I1260 VanDerWaalsContact O-CG1 3.3Å; L1220-I1260 WeakPolarHBondContact O-CG1 3.41Å; L1220-I1260 PolarHBondContact O-N 3.39Å; L1220-A1261 PolarHBondContact N-O 3.23Å; L1220-F1276 HydrophobicContact CD1-CD1 4.35Å; L1220-F1276 HydrophobicContact CD1-CE1 3.71Å; L1220-F1276 HydrophobicContact CD2-CD1 3.8Å; L1220-F1276 HydrophobicContact CD2-CE1 3.62Å; L1220-F1276 HydrophobicContact CG-CE1 4.36Å; L1220-A1304 HydrophobicContact CD1-CB 3.42Å; L1220-A1304 VanDerWaalsContact CD1-CB 3.42Å; L1220-I1314 HydrophobicContact CD2-CG2 4.31Å; L1220-V1317 HydrophobicContact CD2-CB 3.53Å; L1220-V1317 HydrophobicContact CD2-CG1 3.55Å; L1220-V1317 HydrophobicContact CD2-CG2 3.67Å |
| 1221 | T | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 159.2 | 175.7 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | H1223 G1224 N1225 I1227 L1253 E1257 E1258 I1259 | T1221-H1223 VanDerWaalsContact C-N 3.25Å; T1221-H1223 PolarHBondContact O-N 2.95Å; T1221-H1223 PolarHBondContact OG1-N 3.31Å; T1221-G1224 PolarHBondContact O-N 3.44Å; T1221-N1225 HydrophobicContact CG2-CB 4.35Å; T1221-N1225 PolarHBondContact N-O 2.65Å; T1221-N1225 WeakPolarHBondContact OG1-CB 3.49Å; T1221-N1225 PolarHBondContact OG1-N 3.15Å; T1221-N1225 VanDerWaalsContact OG1-N 3.16Å; T1221-N1225 PolarHBondContact OG1-O 3.24Å; T1221-I1227 HydrophobicContact CG2-CD1 3.89Å; T1221-L1253 HydrophobicContact CG2-CD2 4.22Å; T1221-E1257 VanDerWaalsContact CB-OE1 3.27Å; T1221-E1257 WeakPolarHBondContact CB-OE1 3.24Å; T1221-E1257 HydrophobicContact CG2-CG 3.94Å; T1221-E1257 WeakPolarHBondContact CG2-OE1 3.09Å; T1221-E1257 PolarHBondContact OG1-OE1 3.05Å; T1221-E1258 CarbonylContact C-O 3.51Å; T1221-E1258 WeakPolarHBondContact CA-O 3.46Å; T1221-E1258 WeakPolarHBondContact CB-O 3.34Å; T1221-I1259 HydrophobicContact CG2-CD1 3.96Å |
| 1222 | N | 93.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 5% | 0.048 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.1 | 173.7 | 67.9 | -27.8 | 0 | 0 | 0 | 112.8 | G1224 S1256 E1257 E1258 I1260 E1313 I1314 | N1222-G1224 PolarHBondContact O-N 2.95Å; N1222-G1224 VanDerWaalsContact O-N 3.15Å; N1222-S1256 PolarHBondContact ND2-O 3.38Å; N1222-E1257 WeakPolarHBondContact OD1-CA 3.22Å; N1222-E1258 PolarHBondContact N-O 2.78Å; N1222-E1258 PolarHBondContact OD1-N 3.19Å; N1222-E1258 PolarHBondContact OD1-O 3.42Å; N1222-I1260 HydrophobicContact CB-CG2 3.88Å; N1222-E1313 HydrophobicContact CB-CB 4.36Å; N1222-E1313 CarbonylContact O-C 3.59Å; N1222-E1313 VanDerWaalsContact O-CA 3.3Å; N1222-E1313 WeakPolarHBondContact O-CA 3.34Å; N1222-I1314 PolarHBondContact O-N 3.32Å |
| 1223 | H | 93.7 | Very high | 93.5 | Very high | 45 Ų | 45 | 15.1 Ų | 15.1 | 21% | 0.208 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 7.2 | 173.7 | -64.2 | 150.1 | 0 | 0 | 0 | 114.2 | T1221 S1256 E1257 L1307 | T1221-H1223 VanDerWaalsContact C-N 3.25Å; T1221-H1223 PolarHBondContact O-N 2.95Å; T1221-H1223 PolarHBondContact OG1-N 3.31Å; H1223-S1256 PolarHBondContact CE1-OG 3.39Å; H1223-S1256 PolarHBondContact NE2-OG 3.23Å; H1223-E1257 HydrophobicContact CB-CG 4.13Å; H1223-E1257 VanDerWaalsContact ND1-CB 3.34Å; H1223-E1257 WeakPolarHBondContact ND1-CB 3.34Å; H1223-E1257 VanDerWaalsContact ND1-CD 3.34Å; H1223-E1257 VanDerWaalsContact ND1-CG 3.34Å; H1223-E1257 WeakPolarHBondContact ND1-CG 3.33Å; H1223-E1257 IonicContact ND1-OE2 3.01Å; H1223-E1257 PolarHBondContact ND1-OE2 2.86Å; H1223-L1307 VanDerWaalsContact C-CD1 3.48Å; H1223-L1307 HydrophobicContact CB-CD1 4.36Å; H1223-L1307 VanDerWaalsContact O-CD1 3.25Å; H1223-L1307 WeakPolarHBondContact O-CD1 3.29Å |
| 1224 | G | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 75.2 | 31.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1221 N1222 A1304 M1305 | T1221-G1224 PolarHBondContact O-N 3.44Å; N1222-G1224 PolarHBondContact O-N 2.95Å; N1222-G1224 VanDerWaalsContact O-N 3.15Å; G1224-A1304 WeakPolarHBondContact O-CA 3.39Å; G1224-A1304 VanDerWaalsContact O-CB 3.3Å; G1224-A1304 WeakPolarHBondContact O-CB 3.4Å; G1224-A1304 PolarHBondContact O-N 3.24Å; G1224-M1305 PolarHBondContact O-N 3.1Å |
| 1225 | N | 94.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 15.9 Ų | 15.9 | 15% | 0.15 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.6 | 173.4 | -69.5 | -43.3 | 0 | 0 | 0 | 111.2 | L1220 T1221 E1257 P1301 | L1220-N1225 WeakPolarHBondContact CA-O 3.42Å; L1220-N1225 WeakPolarHBondContact CD1-O 3.25Å; T1221-N1225 HydrophobicContact CG2-CB 4.35Å; T1221-N1225 PolarHBondContact N-O 2.65Å; T1221-N1225 WeakPolarHBondContact OG1-CB 3.49Å; T1221-N1225 PolarHBondContact OG1-N 3.15Å; T1221-N1225 VanDerWaalsContact OG1-N 3.16Å; T1221-N1225 PolarHBondContact OG1-O 3.24Å; N1225-E1257 WeakPolarHBondContact CB-OE1 3.45Å; N1225-E1257 PolarHBondContact ND2-OE1 3.4Å; N1225-P1301 HydrophobicContact CB-CB 3.9Å; N1225-P1301 HydrophobicContact CB-CG 4.08Å |
| 1226 | M | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.4 | 172.5 | -173 | 68.4 | 76.2 | 0 | 0 | 109.8 | L1218 I1219 L1220 F1274 F1276 F1291 W1294 P1301 T1302 A1304 | L1218-M1226 HydrophobicContact CB-SD 3.77Å; L1218-M1226 HydrophobicContact CD2-CG 4.03Å; L1218-M1226 HydrophobicContact CD2-SD 4.18Å; L1218-M1226 HydrophobicContact CG-SD 4.39Å; I1219-M1226 CarbonylContact O-C 3.52Å; I1219-M1226 WeakPolarHBondContact O-CA 3.44Å; L1220-M1226 HydrophobicContact CD1-CE 4.07Å; L1220-M1226 HydrophobicContact CD1-SD 4.48Å; M1226-F1274 HydrophobicContact CE-CD1 4.46Å; M1226-F1274 HydrophobicContact CE-CE1 4.06Å; M1226-F1274 HydrophobicContact CE-CE2 4.09Å; M1226-F1274 HydrophobicContact CE-CZ 3.85Å; M1226-F1276 HydrophobicContact CE-CE1 4.42Å; M1226-F1276 HydrophobicContact CE-CZ 4.19Å; M1226-F1291 HydrophobicContact CB-CD1 3.76Å; M1226-F1291 HydrophobicContact CB-CE1 3.81Å; M1226-F1291 HydrophobicContact CE-CD1 4.32Å; M1226-F1291 HydrophobicContact CE-CD2 4.11Å; M1226-F1291 HydrophobicContact CE-CE1 4.27Å; M1226-F1291 HydrophobicContact CE-CE2 4.05Å; M1226-F1291 HydrophobicContact CE-CG 4.23Å; M1226-F1291 HydrophobicContact CE-CZ 4.13Å; M1226-F1291 HydrophobicContact CG-CB 4.34Å; M1226-F1291 HydrophobicContact CG-CD1 3.62Å; M1226-F1291 HydrophobicContact CG-CE1 4.09Å; M1226-F1291 HydrophobicContact CG-CG 4.01Å; M1226-W1294 WeakPolarHBondContact O-CH2 3.16Å; M1226-P1301 WeakPolarHBondContact O-CA 3.49Å; M1226-P1301 WeakPolarHBondContact O-CB 3.5Å; M1226-T1302 HydrophobicContact CB-CG2 3.92Å; M1226-T1302 PolarHBondContact N-O 2.72Å; M1226-T1302 PolarHBondContact O-N 3.08Å; M1226-A1304 HydrophobicContact CB-CB 4.01Å |
| 1227 | I | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.9 | 177.6 | -63.3 | 160 | 0 | 0 | 0 | 107.6 | L1218 I1219 T1221 R1229 I1246 I1250 L1253 P1301 | L1218-I1227 CarbonylContact C-O 3.48Å; L1218-I1227 WeakPolarHBondContact CA-O 3.12Å; I1219-I1227 HydrophobicContact CB-CB 4.11Å; I1219-I1227 HydrophobicContact CD1-CG2 4.46Å; I1219-I1227 PolarHBondContact N-O 3.36Å; I1219-I1227 PolarHBondContact O-N 3.26Å; T1221-I1227 HydrophobicContact CG2-CD1 3.89Å; I1227-R1229 HydrophobicContact CG2-CG 4.29Å; I1227-I1246 HydrophobicContact CD1-CG2 4.18Å; I1227-I1250 HydrophobicContact CB-CD1 4.21Å; I1227-I1250 HydrophobicContact CD1-CD1 3.82Å; I1227-I1250 HydrophobicContact CG1-CD1 3.64Å; I1227-I1250 HydrophobicContact CG2-CD1 3.58Å; I1227-L1253 HydrophobicContact CD1-CD2 4.38Å; I1227-P1301 HydrophobicContact CG1-CB 3.81Å |
| 1228 | Y | 94.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.5 | 175.3 | 162.5 | -105.6 | 0 | 0 | 0 | 109.5 | H1216 L1217 L1218 Y1265 P1293 Y1297 | H1216-Y1228 HydrophobicContact CB-CE2 3.85Å; H1216-Y1228 PolarHBondContact CE1-OH 3.14Å; H1216-Y1228 VanDerWaalsContact CE1-OH 3.27Å; H1216-Y1228 AromaticContact CG-CE2 3.89Å; H1216-Y1228 AromaticContact ND1-CE2 3.83Å; H1216-Y1228 AromaticContact ND1-CZ 3.83Å; H1216-Y1228 PolarHBondContact ND1-OH 3.28Å; L1217-Y1228 WeakPolarHBondContact O-CA 3.5Å; L1218-Y1228 HydrophobicContact CD2-CD2 4.24Å; Y1228-Y1265 HydrophobicContact CD2-CE1 4.4Å; Y1228-Y1265 WeakPolarHBondContact CD2-OH 3.46Å; Y1228-Y1265 HydrophobicContact CE2-CE1 4.4Å; Y1228-Y1265 AromaticContact CE2-CZ 4Å; Y1228-Y1265 WeakPolarHBondContact CE2-OH 3.27Å; Y1228-P1293 HydrophobicContact CD1-CB 4.03Å; Y1228-P1293 HydrophobicContact CD1-CG 4.25Å; Y1228-P1293 HydrophobicContact CE1-CB 3.6Å; Y1228-P1293 HydrophobicContact CE1-CG 3.67Å; Y1228-P1293 HydrophobicContact CE2-CG 4.01Å; Y1228-Y1297 HydrophobicContact CD1-CD1 4.07Å; Y1228-Y1297 AromaticContact CD1-CD2 3.42Å; Y1228-Y1297 HydrophobicContact CD1-CD2 3.42Å; Y1228-Y1297 VanDerWaalsContact CD1-CD2 3.42Å; Y1228-Y1297 HydrophobicContact CD1-CE1 4.48Å; Y1228-Y1297 AromaticContact CD1-CE2 3.88Å; Y1228-Y1297 HydrophobicContact CD1-CE2 3.88Å; Y1228-Y1297 AromaticContact CD1-CG 3.53Å; Y1228-Y1297 HydrophobicContact CD1-CG 3.53Å; Y1228-Y1297 HydrophobicContact CE1-CD1 4.2Å; Y1228-Y1297 AromaticContact CE1-CD2 3.88Å; Y1228-Y1297 HydrophobicContact CE1-CD2 3.88Å; Y1228-Y1297 HydrophobicContact CE1-CE1 4.2Å; Y1228-Y1297 AromaticContact CE1-CE2 3.84Å; Y1228-Y1297 HydrophobicContact CE1-CE2 3.84Å; Y1228-Y1297 HydrophobicContact CE1-CG 4.06Å; Y1228-Y1297 HydrophobicContact CG-CD2 4.48Å; Y1228-Y1297 WeakPolarHBondContact O-CD2 3.4Å |
| 1229 | R | 93.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 6% | 0.06 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 121.4 | 173.9 | -72.3 | -67.1 | 170.7 | -151.9 | -1.8 | 111.2 | L1181 L1217 I1227 E1233 I1234 T1249 R1298 | L1181-R1229 HydrophobicContact CD2-CG 4.22Å; L1217-R1229 WeakPolarHBondContact CB-O 3.29Å; L1217-R1229 PolarHBondContact N-O 3.14Å; L1217-R1229 PolarHBondContact O-N 3.38Å; I1227-R1229 HydrophobicContact CG2-CG 4.29Å; R1229-E1233 IonicContact NH1-OE2 3.6Å; R1229-I1234 HydrophobicContact CB-CG1 4.4Å; R1229-T1249 PolarHBondContact NH2-OG1 2.95Å; R1229-R1298 PolarHBondContact NH2-O 3.37Å |
| 1230 | P | 93 | Very high | 92.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 144.1 | 163.5 | 31.5 | -32.2 | 0 | 0 | 0 | 109.5 | H1232 E1233 Y1297 | P1230-H1232 VanDerWaalsContact C-N 3.34Å; P1230-H1232 PolarHBondContact O-N 2.93Å; P1230-E1233 HydrophobicContact CG-CB 3.92Å; P1230-E1233 VanDerWaalsContact CG-CD 3.42Å; P1230-E1233 HydrophobicContact CG-CG 3.64Å; P1230-E1233 PolarHBondContact O-N 2.95Å; P1230-E1233 VanDerWaalsContact O-N 3.08Å; P1230-Y1297 HydrophobicContact CG-CE2 4.44Å |
| 1231 | V | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.4 | -37.9 | -170.3 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | V1171 V1173 R1183 L1211 N1212 D1215 E1233 I1234 | V1171-V1231 HydrophobicContact CG2-CG1 3.58Å; V1173-V1231 HydrophobicContact CG2-CG1 3.95Å; R1183-V1231 WeakPolarHBondContact CD-O 3.36Å; L1211-V1231 HydrophobicContact CB-CG2 4.14Å; L1211-V1231 HydrophobicContact CD1-CG2 3.85Å; N1212-V1231 WeakPolarHBondContact O-CB 3.15Å; N1212-V1231 WeakPolarHBondContact O-CG1 3.33Å; D1215-V1231 HydrophobicContact CB-CG2 4.02Å; D1215-V1231 WeakPolarHBondContact O-CG2 3.5Å; D1215-V1231 PolarHBondContact O-N 2.87Å; V1231-E1233 PolarHBondContact O-N 2.86Å; V1231-I1234 WeakPolarHBondContact O-CB 3.34Å; V1231-I1234 PolarHBondContact O-N 3.36Å |
| 1232 | H | 89.6 | Confident | 92.6 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.6 | -22 | 176.9 | 69.7 | -86.6 | 0 | 0 | 0 | 114.6 | I1166 T1213 P1230 I1234 | I1166-H1232 HydrophobicContact CD1-CB 4.35Å; I1166-H1232 WeakPolarHBondContact CD1-CE1 3.15Å; I1166-H1232 WeakPolarHBondContact CD1-ND1 3.15Å; I1166-H1232 WeakPolarHBondContact CD1-NE2 3.48Å; I1166-H1232 HydrophobicContact CG1-CB 4.34Å; I1166-H1232 HydrophobicContact CG2-CB 3.72Å; T1213-H1232 WeakPolarHBondContact O-CB 3.35Å; T1213-H1232 PolarHBondContact O-N 3.05Å; P1230-H1232 VanDerWaalsContact C-N 3.34Å; P1230-H1232 PolarHBondContact O-N 2.93Å; H1232-I1234 VanDerWaalsContact C-N 3.33Å |
| 1233 | E | 90.7 | Very high | 92.4 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -83.2 | -11.5 | 175 | -74.6 | -175.8 | -174.8 | 0 | 0 | 113 | R1229 P1230 V1231 Y1297 R1298 | R1229-E1233 IonicContact NH1-OE2 3.6Å; P1230-E1233 HydrophobicContact CG-CB 3.92Å; P1230-E1233 VanDerWaalsContact CG-CD 3.42Å; P1230-E1233 HydrophobicContact CG-CG 3.64Å; P1230-E1233 PolarHBondContact O-N 2.95Å; P1230-E1233 VanDerWaalsContact O-N 3.08Å; V1231-E1233 PolarHBondContact O-N 2.86Å; E1233-Y1297 PolarHBondContact OE1-OH 3.29Å; E1233-Y1297 VanDerWaalsContact OE2-CE2 3.29Å; E1233-Y1297 WeakPolarHBondContact OE2-CE2 3.25Å; E1233-Y1297 PolarHBondContact OE2-OH 3.22Å; E1233-R1298 IonicContact OE1-CZ 2.84Å; E1233-R1298 IonicContact OE1-NE 2.88Å; E1233-R1298 PolarHBondContact OE1-NE 3.42Å; E1233-R1298 IonicContact OE1-NH2 3.3Å; E1233-R1298 PolarHBondContact OE1-NH2 3.44Å; E1233-R1298 IonicContact OE2-NE 3.84Å |
| 1234 | I | 93.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -72.5 | 133 | 175.3 | -56.8 | 175.6 | 0 | 0 | 0 | 108.4 | V1173 L1181 R1183 L1217 R1229 V1231 H1232 E1236 | V1173-I1234 HydrophobicContact CG1-CD1 3.86Å; V1173-I1234 HydrophobicContact CG2-CD1 4.26Å; L1181-I1234 HydrophobicContact CD1-CD1 4.2Å; L1181-I1234 HydrophobicContact CD1-CG2 4.45Å; L1181-I1234 HydrophobicContact CD2-CD1 4.07Å; L1181-I1234 HydrophobicContact CD2-CG1 3.94Å; L1181-I1234 HydrophobicContact CD2-CG2 4.17Å; L1181-I1234 HydrophobicContact CG-CD1 4.29Å; L1181-I1234 HydrophobicContact CG-CG1 4.37Å; L1181-I1234 HydrophobicContact CG-CG2 3.78Å; R1183-I1234 HydrophobicContact CB-CB 4.32Å; R1183-I1234 HydrophobicContact CB-CG2 4.1Å; R1183-I1234 VanDerWaalsContact CD-O 3.31Å; R1183-I1234 WeakPolarHBondContact CD-O 3.48Å; R1183-I1234 HydrophobicContact CG-CB 4.31Å; R1183-I1234 HydrophobicContact CG-CG2 4.33Å; R1183-I1234 WeakPolarHBondContact CG-O 3.19Å; R1183-I1234 VanDerWaalsContact N-CG2 3.35Å; R1183-I1234 PolarHBondContact NE-O 3.36Å; L1217-I1234 HydrophobicContact CD2-CD1 4.33Å; R1229-I1234 HydrophobicContact CB-CG1 4.4Å; V1231-I1234 WeakPolarHBondContact O-CB 3.34Å; V1231-I1234 PolarHBondContact O-N 3.36Å; H1232-I1234 VanDerWaalsContact C-N 3.33Å; I1234-E1236 PolarHBondContact O-N 3.39Å |
| 1235 | T | 91.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 123.4 | -179.4 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | R1183 L1237 E1244 | R1183-T1235 PolarHBondContact N-O 2.85Å; T1235-L1237 HydrophobicContact CG2-CD1 4.36Å; T1235-L1237 HydrophobicContact CG2-CD2 4.17Å; T1235-L1237 HydrophobicContact CG2-CG 4.01Å; T1235-L1237 PolarHBondContact O-N 3.02Å; T1235-E1244 WeakPolarHBondContact CB-OE2 3.29Å; T1235-E1244 PolarHBondContact OG1-OE2 3.46Å |
| 1236 | E | 92.2 | Very high | 92.1 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 43% | 0.425 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -78 | 117.7 | 174.7 | -170.8 | -176.8 | 172.4 | 0 | 0 | 109.6 | R1183 I1234 | R1183-E1236 HydrophobicContact CG-CB 4.04Å; R1183-E1236 HydrophobicContact CG-CG 4.39Å; R1183-E1236 CarbonylContact O-C 3.55Å; R1183-E1236 VanDerWaalsContact O-CA 3.27Å; R1183-E1236 WeakPolarHBondContact O-CA 3.01Å; I1234-E1236 PolarHBondContact O-N 3.39Å |
| 1237 | L | 92.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | trans | -131.5 | 157.8 | 179.6 | -66.2 | 173.4 | 0 | 0 | 0 | 109.9 | K1182 R1183 S1184 T1235 D1241 V1242 | K1182-L1237 HydrophobicContact CB-CB 4.33Å; K1182-L1237 HydrophobicContact CB-CD1 4.15Å; K1182-L1237 HydrophobicContact CD-CB 4.35Å; R1183-L1237 PolarHBondContact O-N 3.31Å; S1184-L1237 WeakPolarHBondContact CA-O 3.31Å; S1184-L1237 WeakPolarHBondContact CB-O 3.03Å; S1184-L1237 PolarHBondContact OG-O 2.99Å; T1235-L1237 HydrophobicContact CG2-CD1 4.36Å; T1235-L1237 HydrophobicContact CG2-CD2 4.17Å; T1235-L1237 HydrophobicContact CG2-CG 4.01Å; T1235-L1237 PolarHBondContact O-N 3.02Å; L1237-D1241 HydrophobicContact CB-CB 4.2Å; L1237-V1242 WeakPolarHBondContact CD1-O 3.35Å | ||
| 1238 | K | 90.9 | Very high | 91.2 | Very high | 139 Ų | 139 | 48.7 Ų | 48.7 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | trans | -64.9 | 154.4 | 175.1 | -59.6 | 175.8 | -178.4 | 170.7 | 0 | 109.3 | S1188 K1240 D1241 | S1188-K1238 WeakPolarHBondContact OG-CA 3.5Å; K1238-K1240 PolarHBondContact O-N 3.41Å; K1238-K1240 VanDerWaalsContact O-N 3.08Å; K1238-D1241 VanDerWaalsContact CB-OD2 3.29Å; K1238-D1241 WeakPolarHBondContact CB-OD2 3.48Å; K1238-D1241 WeakPolarHBondContact CG-OD2 3.49Å; K1238-D1241 PolarHBondContact N-OD2 3.45Å; K1238-D1241 PolarHBondContact O-N 2.95Å | ||
| 1239 | W | 89.3 | Confident | 90.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -39.9 | 177.9 | -175.6 | -112 | 0 | 0 | 0 | 113 | I1172 K1182 S1184 S1188 Y1189 S1192 R1193 P1194 E1196 H1197 I1208 | I1172-W1239 HydrophobicContact CB-CZ3 4.2Å; I1172-W1239 HydrophobicContact CG2-CH2 4.06Å; I1172-W1239 HydrophobicContact CG2-CZ3 3.58Å; K1182-W1239 PolarHBondContact NZ-O 3.08Å; S1184-W1239 PolarHBondContact OG-N 2.7Å; S1188-W1239 WeakPolarHBondContact O-CB 3.29Å; S1188-W1239 PolarHBondContact OG-N 2.97Å; Y1189-W1239 AromaticContact CD2-CD2 3.63Å; Y1189-W1239 HydrophobicContact CD2-CD2 3.63Å; Y1189-W1239 AromaticContact CD2-CE2 3.58Å; Y1189-W1239 AromaticContact CD2-CE3 3.71Å; Y1189-W1239 HydrophobicContact CD2-CE3 3.71Å; Y1189-W1239 HydrophobicContact CD2-CG 4.36Å; Y1189-W1239 AromaticContact CD2-CH2 3.69Å; Y1189-W1239 HydrophobicContact CD2-CH2 3.69Å; Y1189-W1239 AromaticContact CD2-CZ2 3.59Å; Y1189-W1239 HydrophobicContact CD2-CZ2 3.59Å; Y1189-W1239 AromaticContact CD2-CZ3 3.76Å; Y1189-W1239 HydrophobicContact CD2-CZ3 3.76Å; Y1189-W1239 HydrophobicContact CE2-CD2 4.35Å; Y1189-W1239 AromaticContact CE2-CE2 3.84Å; Y1189-W1239 AromaticContact CE2-CH2 3.69Å; Y1189-W1239 HydrophobicContact CE2-CH2 3.69Å; Y1189-W1239 AromaticContact CE2-CZ2 3.45Å; Y1189-W1239 HydrophobicContact CE2-CZ2 3.45Å; Y1189-W1239 VanDerWaalsContact CE2-CZ2 3.45Å; Y1189-W1239 HydrophobicContact CE2-CZ3 4.23Å; S1192-W1239 VanDerWaalsContact CB-CD1 3.44Å; R1193-W1239 PolarHBondContact O-NE1 2.87Å; P1194-W1239 WeakPolarHBondContact O-CZ2 3.49Å; E1196-W1239 VanDerWaalsContact O-CD1 3.32Å; H1197-W1239 CarbonylContact C-O 3.57Å; H1197-W1239 VanDerWaalsContact CA-O 3.29Å; H1197-W1239 WeakPolarHBondContact CA-O 3.17Å; H1197-W1239 HydrophobicContact CB-CD2 4.28Å; H1197-W1239 HydrophobicContact CB-CH2 3.87Å; H1197-W1239 HydrophobicContact CB-CZ2 3.43Å; H1197-W1239 VanDerWaalsContact CB-CZ2 3.43Å; H1197-W1239 HydrophobicContact CB-CZ3 4.44Å; I1208-W1239 HydrophobicContact CD1-CH2 3.74Å; I1208-W1239 HydrophobicContact CD1-CZ2 4.48Å |
| 1240 | K | 89.3 | Confident | 90.3 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.5 | -178.8 | -48.2 | -166.2 | -169.8 | -155 | 0 | 115.7 | S1192 E1196 G1198 K1238 | S1192-K1240 VanDerWaalsContact OG-CE 3.24Å; S1192-K1240 WeakPolarHBondContact OG-CE 3.39Å; E1196-K1240 HydrophobicContact CB-CG 4.33Å; E1196-K1240 VanDerWaalsContact O-CA 3.25Å; E1196-K1240 WeakPolarHBondContact O-CA 3.4Å; E1196-K1240 IonicContact OE1-NZ 3.95Å; E1196-K1240 WeakPolarHBondContact OE2-CE 3.34Å; E1196-K1240 IonicContact OE2-NZ 3.86Å; E1196-K1240 PolarHBondContact OE2-NZ 2.81Å; G1198-K1240 WeakPolarHBondContact CA-O 3.22Å; K1238-K1240 PolarHBondContact O-N 3.41Å; K1238-K1240 VanDerWaalsContact O-N 3.08Å |
| 1241 | D | 91.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -86.1 | 143.1 | -175.4 | -63 | -22.1 | 0 | 0 | 0 | 110 | K1182 L1237 K1238 | K1182-D1241 PolarHBondContact NZ-O 3.46Å; L1237-D1241 HydrophobicContact CB-CB 4.2Å; K1238-D1241 VanDerWaalsContact CB-OD2 3.29Å; K1238-D1241 WeakPolarHBondContact CB-OD2 3.48Å; K1238-D1241 WeakPolarHBondContact CG-OD2 3.49Å; K1238-D1241 PolarHBondContact N-OD2 3.45Å; K1238-D1241 PolarHBondContact O-N 2.95Å |
| 1242 | V | 91.5 | Very high | 88.8 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 138.2 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Y1180 G1198 L1237 | Y1180-V1242 HydrophobicContact CD1-CG1 3.92Å; Y1180-V1242 HydrophobicContact CE1-CG1 4.19Å; Y1180-V1242 HydrophobicContact CG-CG1 4.26Å; G1198-V1242 WeakPolarHBondContact O-CA 3.14Å; L1237-V1242 WeakPolarHBondContact CD1-O 3.35Å |
| 1243 | G | 90.5 | Very high | 88.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1180 | Y1180-G1243 VanDerWaalsContact CD1-O 3.25Å; Y1180-G1243 WeakPolarHBondContact CD1-O 3.26Å |
| 1244 | E | 91.9 | Very high | 88.2 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.8 | 173.5 | -166.9 | -179.1 | 150.9 | 0 | 0 | 109.7 | Y1180 L1181 T1235 I1246 Q1248 | Y1180-E1244 WeakPolarHBondContact CA-O 3.17Å; L1181-E1244 PolarHBondContact N-O 3.17Å; L1181-E1244 PolarHBondContact O-N 3.43Å; T1235-E1244 WeakPolarHBondContact CB-OE2 3.29Å; T1235-E1244 PolarHBondContact OG1-OE2 3.46Å; E1244-I1246 PolarHBondContact O-N 2.89Å; E1244-Q1248 HydrophobicContact CG-CB 4.45Å; E1244-Q1248 HydrophobicContact CG-CG 4.44Å; E1244-Q1248 PolarHBondContact OE1-OE1 2.8Å |
| 1245 | H | 92.3 | Very high | 87.6 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.2 | 179.1 | -168 | -81.6 | 0 | 0 | 0 | 110.5 | E1178 G1179 Y1180 S1247 Q1248 | E1178-H1245 PolarHBondContact O-CD2 3.25Å; E1178-H1245 PolarHBondContact O-NE2 2.8Å; G1179-H1245 CarbonylContact O-C 3.53Å; G1179-H1245 WeakPolarHBondContact O-CA 3.25Å; Y1180-H1245 HydrophobicContact CD1-CB 3.87Å; Y1180-H1245 HydrophobicContact CE1-CB 3.76Å; Y1180-H1245 AromaticContact CE2-CD2 3.9Å; Y1180-H1245 AromaticContact CZ-CD2 3.84Å; H1245-S1247 PolarHBondContact CE1-OG 2.79Å; H1245-S1247 VanDerWaalsContact CE1-OG 3.3Å; H1245-S1247 VanDerWaalsContact ND1-CB 3.34Å; H1245-S1247 WeakPolarHBondContact ND1-CB 3.37Å; H1245-S1247 PolarHBondContact ND1-N 3.12Å; H1245-S1247 VanDerWaalsContact ND1-N 3.2Å; H1245-S1247 PolarHBondContact ND1-OG 3.11Å; H1245-S1247 PolarHBondContact O-N 3.16Å; H1245-S1247 VanDerWaalsContact O-N 3.08Å; H1245-Q1248 WeakPolarHBondContact O-CB 3.36Å; H1245-Q1248 WeakPolarHBondContact O-CG 3.33Å; H1245-Q1248 PolarHBondContact O-N 3.39Å |
| 1246 | I | 90.4 | Very high | 87.3 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.3 | -172.4 | -62.1 | 156.3 | 0 | 0 | 0 | 112.6 | L1175 G1179 L1181 I1219 I1227 E1244 Q1248 T1249 I1250 L1253 I1259 | L1175-I1246 HydrophobicContact CD1-CD1 3.75Å; G1179-I1246 WeakPolarHBondContact O-CD1 3.31Å; G1179-I1246 VanDerWaalsContact O-CG1 3.24Å; G1179-I1246 WeakPolarHBondContact O-CG1 3.46Å; G1179-I1246 PolarHBondContact O-N 2.84Å; L1181-I1246 HydrophobicContact CB-CG1 4.1Å; I1219-I1246 HydrophobicContact CD1-CD1 4.23Å; I1227-I1246 HydrophobicContact CD1-CG2 4.18Å; E1244-I1246 PolarHBondContact O-N 2.89Å; I1246-Q1248 PolarHBondContact O-N 3.03Å; I1246-Q1248 VanDerWaalsContact O-N 3.13Å; I1246-T1249 PolarHBondContact O-N 2.91Å; I1246-T1249 PolarHBondContact O-OG1 3.35Å; I1246-I1250 HydrophobicContact CG2-CB 4.37Å; I1246-I1250 HydrophobicContact CG2-CD1 3.44Å; I1246-I1250 VanDerWaalsContact CG2-CD1 3.44Å; I1246-I1250 HydrophobicContact CG2-CG1 3.8Å; I1246-I1250 PolarHBondContact O-N 2.98Å; I1246-L1253 HydrophobicContact CB-CD1 4.32Å; I1246-L1253 HydrophobicContact CG2-CD1 4Å; I1246-I1259 HydrophobicContact CD1-CD1 4Å; I1246-I1259 HydrophobicContact CD1-CG1 4.31Å |
| 1247 | S | 87.1 | Confident | 87.1 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -61 | -17.4 | 175.8 | 72.3 | 0 | 0 | 0 | 0 | 114.9 | H1245 T1249 | H1245-S1247 PolarHBondContact CE1-OG 2.79Å; H1245-S1247 VanDerWaalsContact CE1-OG 3.3Å; H1245-S1247 VanDerWaalsContact ND1-CB 3.34Å; H1245-S1247 WeakPolarHBondContact ND1-CB 3.37Å; H1245-S1247 PolarHBondContact ND1-N 3.12Å; H1245-S1247 VanDerWaalsContact ND1-N 3.2Å; H1245-S1247 PolarHBondContact ND1-OG 3.11Å; H1245-S1247 PolarHBondContact O-N 3.16Å; H1245-S1247 VanDerWaalsContact O-N 3.08Å; S1247-T1249 PolarHBondContact O-N 3Å |
| 1248 | Q | 85.6 | Confident | 87.1 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -65.9 | -30 | 172.8 | -64.4 | -173.7 | 34.1 | 0 | 0 | 111.7 | E1244 H1245 I1246 | E1244-Q1248 HydrophobicContact CG-CB 4.45Å; E1244-Q1248 HydrophobicContact CG-CG 4.44Å; E1244-Q1248 PolarHBondContact OE1-OE1 2.8Å; H1245-Q1248 WeakPolarHBondContact O-CB 3.36Å; H1245-Q1248 WeakPolarHBondContact O-CG 3.33Å; H1245-Q1248 PolarHBondContact O-N 3.39Å; I1246-Q1248 PolarHBondContact O-N 3.03Å; I1246-Q1248 VanDerWaalsContact O-N 3.13Å |
| 1249 | T | 83.4 | Confident | 87.2 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -27.9 | 179 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | R1229 I1246 S1247 R1298 S1299 | R1229-T1249 PolarHBondContact NH2-OG1 2.95Å; I1246-T1249 PolarHBondContact O-N 2.91Å; I1246-T1249 PolarHBondContact O-OG1 3.35Å; S1247-T1249 PolarHBondContact O-N 3Å; T1249-R1298 VanDerWaalsContact O-O 3.11Å; T1249-S1299 WeakPolarHBondContact O-CA 3.41Å |
| 1250 | I | 85.2 | Confident | 87.3 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -106.2 | 116 | -176.7 | -59.6 | -170.7 | 0 | 0 | 0 | 111.2 | I1227 I1246 N1252 L1253 P1301 | I1227-I1250 HydrophobicContact CB-CD1 4.21Å; I1227-I1250 HydrophobicContact CD1-CD1 3.82Å; I1227-I1250 HydrophobicContact CG1-CD1 3.64Å; I1227-I1250 HydrophobicContact CG2-CD1 3.58Å; I1246-I1250 HydrophobicContact CG2-CB 4.37Å; I1246-I1250 HydrophobicContact CG2-CD1 3.44Å; I1246-I1250 VanDerWaalsContact CG2-CD1 3.44Å; I1246-I1250 HydrophobicContact CG2-CG1 3.8Å; I1246-I1250 PolarHBondContact O-N 2.98Å; I1250-N1252 PolarHBondContact O-N 2.79Å; I1250-L1253 HydrophobicContact CB-CD1 3.81Å; I1250-L1253 HydrophobicContact CB-CG 4.24Å; I1250-L1253 HydrophobicContact CD1-CD1 4.47Å; I1250-L1253 HydrophobicContact CG2-CD1 3.95Å; I1250-L1253 HydrophobicContact CG2-CG 3.81Å; I1250-P1301 HydrophobicContact CG2-CG 4.31Å | ||
| 1251 | T | 78.7 | Confident | 87.5 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -16.6 | -168.7 | 50.8 | 0 | 0 | 0 | 0 | 115.9 | S1299 | T1251-S1299 PolarHBondContact N-O 2.86Å; T1251-S1299 VanDerWaalsContact N-O 3.09Å; T1251-S1299 PolarHBondContact OG1-O 2.93Å; T1251-S1299 VanDerWaalsContact OG1-O 3.13Å |
| 1252 | N | 77.5 | Confident | 87.6 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 30.6 | -167.9 | 62.8 | -46.5 | 0 | 0 | 0 | 113.9 | I1250 P1301 | I1250-N1252 PolarHBondContact O-N 2.79Å; N1252-P1301 WeakPolarHBondContact OD1-CD 3.49Å |
| 1253 | L | 82.6 | Confident | 87.8 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | trans | -79.6 | 132 | 167.2 | -79.5 | 165 | 0 | 0 | 0 | 109.9 | T1221 I1227 I1246 I1250 E1257 | T1221-L1253 HydrophobicContact CG2-CD2 4.22Å; I1227-L1253 HydrophobicContact CD1-CD2 4.38Å; I1246-L1253 HydrophobicContact CB-CD1 4.32Å; I1246-L1253 HydrophobicContact CG2-CD1 4Å; I1250-L1253 HydrophobicContact CB-CD1 3.81Å; I1250-L1253 HydrophobicContact CB-CG 4.24Å; I1250-L1253 HydrophobicContact CD1-CD1 4.47Å; I1250-L1253 HydrophobicContact CG2-CD1 3.95Å; I1250-L1253 HydrophobicContact CG2-CG 3.81Å; L1253-E1257 HydrophobicContact CD2-CB 4.27Å; L1253-E1257 HydrophobicContact CD2-CG 3.82Å | ||
| 1254 | S | 83.9 | Confident | 88 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | trans | -72.5 | 154 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | S1256 E1257 | S1254-S1256 PolarHBondContact O-N 2.93Å; S1254-S1256 PolarHBondContact OG-N 2.89Å; S1254-S1256 PolarHBondContact OG-OG 3.33Å; S1254-S1256 VanDerWaalsContact OG-OG 3.14Å; S1254-E1257 PolarHBondContact N-OE2 3.43Å; S1254-E1257 VanDerWaalsContact N-OE2 3.1Å; S1254-E1257 VanDerWaalsContact O-CB 3.22Å; S1254-E1257 WeakPolarHBondContact O-CB 3.04Å; S1254-E1257 PolarHBondContact O-N 3.2Å; S1254-E1257 VanDerWaalsContact O-N 3.08Å | ||
| 1255 | M | 81.6 | Confident | 88.1 | Confident | 204 Ų | 204 | 55.2 Ų | 55.2 | 100% | 1.005 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.8 | 173.9 | -68.8 | -72.3 | 169.2 | 0 | 0 | 113.2 | ||
| 1256 | S | 84 | Confident | 88 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 6.5 | 175 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | N1222 H1223 S1254 | N1222-S1256 PolarHBondContact ND2-O 3.38Å; H1223-S1256 PolarHBondContact CE1-OG 3.39Å; H1223-S1256 PolarHBondContact NE2-OG 3.23Å; S1254-S1256 PolarHBondContact O-N 2.93Å; S1254-S1256 PolarHBondContact OG-N 2.89Å; S1254-S1256 PolarHBondContact OG-OG 3.33Å; S1254-S1256 VanDerWaalsContact OG-OG 3.14Å |
| 1257 | E | 89.4 | Confident | 87.9 | Confident | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | trans | -86.7 | 120.8 | -177 | -161.1 | 155.5 | 175.6 | 0 | 0 | 110.7 | T1221 N1222 H1223 N1225 L1253 S1254 | T1221-E1257 VanDerWaalsContact CB-OE1 3.27Å; T1221-E1257 WeakPolarHBondContact CB-OE1 3.24Å; T1221-E1257 HydrophobicContact CG2-CG 3.94Å; T1221-E1257 WeakPolarHBondContact CG2-OE1 3.09Å; T1221-E1257 PolarHBondContact OG1-OE1 3.05Å; N1222-E1257 WeakPolarHBondContact OD1-CA 3.22Å; H1223-E1257 HydrophobicContact CB-CG 4.13Å; H1223-E1257 VanDerWaalsContact ND1-CB 3.34Å; H1223-E1257 WeakPolarHBondContact ND1-CB 3.34Å; H1223-E1257 VanDerWaalsContact ND1-CD 3.34Å; H1223-E1257 VanDerWaalsContact ND1-CG 3.34Å; H1223-E1257 WeakPolarHBondContact ND1-CG 3.33Å; H1223-E1257 IonicContact ND1-OE2 3.01Å; H1223-E1257 PolarHBondContact ND1-OE2 2.86Å; N1225-E1257 WeakPolarHBondContact CB-OE1 3.45Å; N1225-E1257 PolarHBondContact ND2-OE1 3.4Å; L1253-E1257 HydrophobicContact CD2-CB 4.27Å; L1253-E1257 HydrophobicContact CD2-CG 3.82Å; S1254-E1257 PolarHBondContact N-OE2 3.43Å; S1254-E1257 VanDerWaalsContact N-OE2 3.1Å; S1254-E1257 VanDerWaalsContact O-CB 3.22Å; S1254-E1257 WeakPolarHBondContact O-CB 3.04Å; S1254-E1257 PolarHBondContact O-N 3.2Å; S1254-E1257 VanDerWaalsContact O-N 3.08Å | ||
| 1258 | E | 92 | Very high | 88 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | trans | -117.8 | 152.3 | -179.1 | -63.5 | -176.7 | 160.4 | 0 | 0 | 110.2 | K1177 T1221 N1222 | K1177-E1258 WeakPolarHBondContact CE-OE2 3.07Å; K1177-E1258 HydrophobicContact CG-CB 4.5Å; K1177-E1258 IonicContact NZ-OE1 3.22Å; K1177-E1258 IonicContact NZ-OE2 3.6Å; K1177-E1258 PolarHBondContact NZ-OE2 2.81Å; T1221-E1258 CarbonylContact C-O 3.51Å; T1221-E1258 WeakPolarHBondContact CA-O 3.46Å; T1221-E1258 WeakPolarHBondContact CB-O 3.34Å; N1222-E1258 PolarHBondContact N-O 2.78Å; N1222-E1258 PolarHBondContact OD1-N 3.19Å; N1222-E1258 PolarHBondContact OD1-O 3.42Å | ||
| 1259 | I | 93.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133.7 | 174.5 | -53.4 | -49.5 | 0 | 0 | 0 | 109.6 | L1175 K1177 I1206 I1219 T1221 I1246 | L1175-I1259 HydrophobicContact CD1-CG1 4.39Å; L1175-I1259 HydrophobicContact CD2-CG2 3.85Å; L1175-I1259 HydrophobicContact CG-CG2 4.26Å; K1177-I1259 PolarHBondContact O-N 3.46Å; I1206-I1259 HydrophobicContact CB-CG2 4.5Å; I1206-I1259 HydrophobicContact CG2-CG2 4.1Å; I1219-I1259 HydrophobicContact CG2-CD1 3.81Å; I1219-I1259 HydrophobicContact CG2-CG1 4.32Å; I1219-I1259 HydrophobicContact CG2-CG2 3.59Å; T1221-I1259 HydrophobicContact CG2-CD1 3.96Å; I1246-I1259 HydrophobicContact CD1-CD1 4Å; I1246-I1259 HydrophobicContact CD1-CG1 4.31Å |
| 1260 | I | 91.6 | Very high | 88.3 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -25.9 | -179.3 | 59.1 | 166.9 | 0 | 0 | 0 | 113.7 | L1220 N1222 I1314 V1317 | L1220-I1260 HydrophobicContact CB-CD1 4.48Å; L1220-I1260 HydrophobicContact CB-CG1 4.05Å; L1220-I1260 HydrophobicContact CD2-CD1 3.45Å; L1220-I1260 VanDerWaalsContact CD2-CD1 3.45Å; L1220-I1260 HydrophobicContact CD2-CG1 3.9Å; L1220-I1260 HydrophobicContact CG-CD1 3.8Å; L1220-I1260 HydrophobicContact CG-CG1 3.89Å; L1220-I1260 VanDerWaalsContact O-CG1 3.3Å; L1220-I1260 WeakPolarHBondContact O-CG1 3.41Å; L1220-I1260 PolarHBondContact O-N 3.39Å; N1222-I1260 HydrophobicContact CB-CG2 3.88Å; I1260-I1314 HydrophobicContact CD1-CB 3.65Å; I1260-I1314 HydrophobicContact CD1-CG2 3.34Å; I1260-V1317 HydrophobicContact CD1-CG1 4.38Å |
| 1261 | A | 92.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 158.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1220 F1263 V1317 | L1220-A1261 PolarHBondContact N-O 3.23Å; A1261-F1263 HydrophobicContact CB-CE2 3.61Å; A1261-F1263 HydrophobicContact CB-CZ 3.79Å; A1261-V1317 HydrophobicContact CB-CG1 3.46Å; A1261-V1317 VanDerWaalsContact CB-CG1 3.46Å |
| 1262 | A | 94.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 67 Ų | 67 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1175 F1207 L1217 L1218 I1219 | L1175-A1262 HydrophobicContact CD2-CB 3.76Å; F1207-A1262 HydrophobicContact CB-CB 3.58Å; F1207-A1262 HydrophobicContact CD1-CB 4.19Å; F1207-A1262 HydrophobicContact CD2-CB 3.91Å; F1207-A1262 HydrophobicContact CG-CB 3.64Å; L1217-A1262 HydrophobicContact CD1-CB 4.02Å; L1217-A1262 HydrophobicContact CG-CB 4.49Å; L1218-A1262 CarbonylContact O-C 3.59Å; L1218-A1262 VanDerWaalsContact O-CA 3.24Å; L1218-A1262 WeakPolarHBondContact O-CA 3.3Å; I1219-A1262 HydrophobicContact CG1-CB 4.39Å |
| 1263 | F | 95 | Very high | 90.1 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 106.1 | -175.3 | -56.4 | -86.4 | 0 | 0 | 0 | 110 | L1218 A1261 F1274 V1317 L1319 | L1218-F1263 HydrophobicContact CB-CB 4.34Å; L1218-F1263 PolarHBondContact N-O 3.16Å; L1218-F1263 PolarHBondContact O-N 3.41Å; A1261-F1263 HydrophobicContact CB-CE2 3.61Å; A1261-F1263 HydrophobicContact CB-CZ 3.79Å; F1263-F1274 HydrophobicContact CD1-CE1 4.34Å; F1263-F1274 AromaticContact CD2-CE1 3.58Å; F1263-F1274 HydrophobicContact CD2-CE1 3.58Å; F1263-F1274 HydrophobicContact CD2-CZ 4.1Å; F1263-F1274 HydrophobicContact CE1-CE1 4.39Å; F1263-F1274 HydrophobicContact CE2-CD1 4.4Å; F1263-F1274 AromaticContact CE2-CE1 3.63Å; F1263-F1274 HydrophobicContact CE2-CE1 3.63Å; F1263-F1274 AromaticContact CG-CE1 3.95Å; F1263-F1274 HydrophobicContact CG-CE1 3.95Å; F1263-F1274 HydrophobicContact CG-CZ 4.31Å; F1263-F1274 HydrophobicContact CZ-CE1 4.05Å; F1263-V1317 HydrophobicContact CE2-CG1 4.21Å; F1263-V1317 HydrophobicContact CE2-CG2 4.14Å; F1263-V1317 HydrophobicContact CZ-CG1 3.93Å; F1263-V1317 HydrophobicContact CZ-CG2 3.91Å; F1263-L1319 HydrophobicContact CB-CD2 4.2Å; F1263-L1319 HydrophobicContact CD1-CB 3.73Å; F1263-L1319 HydrophobicContact CD1-CD2 3.96Å; F1263-L1319 HydrophobicContact CE1-CB 3.71Å; F1263-L1319 HydrophobicContact CG-CD2 4.27Å |
| 1264 | P | 94.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 31% | 0.312 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 149.5 | 176.2 | 32.4 | -34.7 | 0 | 0 | 0 | 111.2 | F1207 L1211 H1216 L1217 | F1207-P1264 HydrophobicContact CE2-CB 4.5Å; F1207-P1264 HydrophobicContact CE2-CG 3.78Å; F1207-P1264 HydrophobicContact CZ-CB 4Å; F1207-P1264 HydrophobicContact CZ-CG 3.73Å; L1211-P1264 HydrophobicContact CD1-CB 3.99Å; L1211-P1264 HydrophobicContact CD2-CB 3.61Å; L1211-P1264 HydrophobicContact CD2-CG 4.31Å; L1211-P1264 HydrophobicContact CG-CB 4.49Å; H1216-P1264 CarbonylContact O-C 3.59Å; H1216-P1264 VanDerWaalsContact O-CA 3.31Å; H1216-P1264 WeakPolarHBondContact O-CA 3.37Å; L1217-P1264 HydrophobicContact CD1-CB 4.23Å |
| 1265 | Y | 94.1 | Very high | 91.3 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 155.5 | 174.5 | 70.8 | -84 | 0 | 0 | 0 | 112 | H1216 L1218 Y1228 E1267 I1268 M1288 | H1216-Y1265 HydrophobicContact CB-CD1 3.79Å; H1216-Y1265 HydrophobicContact CB-CD2 3.98Å; H1216-Y1265 HydrophobicContact CB-CE1 3.32Å; H1216-Y1265 HydrophobicContact CB-CE2 3.56Å; H1216-Y1265 HydrophobicContact CB-CG 4.11Å; H1216-Y1265 WeakPolarHBondContact CB-O 3.4Å; H1216-Y1265 AromaticContact CD2-CE2 3.44Å; H1216-Y1265 VanDerWaalsContact CD2-CE2 3.44Å; H1216-Y1265 WeakPolarHBondContact CD2-CE2 3.38Å; H1216-Y1265 AromaticContact CD2-CZ 3.9Å; H1216-Y1265 AromaticContact CG-CE2 3.79Å; H1216-Y1265 AromaticContact CG-CZ 3.77Å; H1216-Y1265 PolarHBondContact N-O 3.05Å; H1216-Y1265 PolarHBondContact O-N 3.45Å; L1218-Y1265 HydrophobicContact CD1-CD1 4.48Å; L1218-Y1265 HydrophobicContact CD1-CE1 4.21Å; L1218-Y1265 HydrophobicContact CD2-CE1 4.4Å; L1218-Y1265 HydrophobicContact CG-CD1 4.25Å; L1218-Y1265 HydrophobicContact CG-CE1 3.77Å; Y1228-Y1265 HydrophobicContact CD2-CE1 4.4Å; Y1228-Y1265 WeakPolarHBondContact CD2-OH 3.46Å; Y1228-Y1265 HydrophobicContact CE2-CE1 4.4Å; Y1228-Y1265 AromaticContact CE2-CZ 4Å; Y1228-Y1265 WeakPolarHBondContact CE2-OH 3.27Å; Y1265-E1267 VanDerWaalsContact CD2-C 3.5Å; Y1265-I1268 HydrophobicContact CD2-CG1 4.01Å; Y1265-I1268 HydrophobicContact CE2-CD1 4.21Å; Y1265-I1268 HydrophobicContact CE2-CG1 3.37Å; Y1265-M1288 HydrophobicContact CD1-CE 3.73Å; Y1265-M1288 HydrophobicContact CD2-CE 3.95Å; Y1265-M1288 HydrophobicContact CE1-CE 4.34Å; Y1265-M1288 HydrophobicContact CG-CE 3.49Å; Y1265-M1288 VanDerWaalsContact CG-CE 3.49Å |
| 1266 | K | 90.3 | Very high | 92.1 | Very high | 158 Ų | 158 | 49.9 Ų | 49.9 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -92 | -52.9 | 172.9 | -55 | -166.8 | 174.1 | -178.8 | 0 | 110.8 | D1215 H1216 | D1215-K1266 WeakPolarHBondContact OD1-CG 3.4Å; H1216-K1266 PolarHBondContact CD2-O 3.06Å; H1216-K1266 VanDerWaalsContact CD2-O 3.3Å |
| 1267 | E | 87.8 | Confident | 92.7 | Very high | 169 Ų | 169 | 46.6 Ų | 46.6 | 79% | 0.79 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -127.7 | 150.5 | 174.4 | -67 | -179.4 | -175.8 | 0 | 0 | 109.6 | Y1265 D1269 | Y1265-E1267 VanDerWaalsContact CD2-C 3.5Å; E1267-D1269 PolarHBondContact O-N 3.13Å |
| 1268 | I | 89.3 | Confident | 93 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | trans | -71.2 | 119.9 | 177.9 | -71.2 | -177.3 | 0 | 0 | 0 | 109.2 | Y1265 M1288 T1289 S1292 | Y1265-I1268 HydrophobicContact CD2-CG1 4.01Å; Y1265-I1268 HydrophobicContact CE2-CD1 4.21Å; Y1265-I1268 HydrophobicContact CE2-CG1 3.37Å; I1268-M1288 HydrophobicContact CG1-CE 4.39Å; I1268-M1288 HydrophobicContact CG2-CG 4.23Å; I1268-T1289 HydrophobicContact CG2-CG2 3.72Å; I1268-S1292 WeakPolarHBondContact CD1-OG 3.46Å | ||
| 1269 | D | 88.6 | Confident | 93.1 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | -88.8 | 112.8 | 177.1 | -173.7 | -12.8 | 0 | 0 | 0 | 110.5 | E1267 N1271 K1272 M1288 | E1267-D1269 PolarHBondContact O-N 3.13Å; D1269-N1271 PolarHBondContact O-N 3.22Å; D1269-N1271 VanDerWaalsContact O-N 3.12Å; D1269-N1271 WeakPolarHBondContact OD1-CB 3.39Å; D1269-N1271 PolarHBondContact OD1-N 2.99Å; D1269-N1271 PolarHBondContact OD1-ND2 3.46Å; D1269-K1272 HydrophobicContact CB-CB 4.43Å; D1269-K1272 HydrophobicContact CB-CD 3.97Å; D1269-K1272 HydrophobicContact CB-CG 3.93Å; D1269-K1272 PolarHBondContact O-N 3.29Å; D1269-M1288 HydrophobicContact CB-SD 4.4Å | ||
| 1270 | A | 87.7 | Confident | 93.2 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1289 | A1270-T1289 HydrophobicContact CB-CG2 3.95Š|
| 1271 | N | 89.6 | Confident | 93.4 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 66% | 0.658 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13 | 179.7 | -57.9 | -53.3 | 0 | 0 | 0 | 113.6 | D1269 | D1269-N1271 PolarHBondContact O-N 3.22Å; D1269-N1271 VanDerWaalsContact O-N 3.12Å; D1269-N1271 WeakPolarHBondContact OD1-CB 3.39Å; D1269-N1271 PolarHBondContact OD1-N 2.99Å; D1269-N1271 PolarHBondContact OD1-ND2 3.46Å |
| 1272 | K | 93.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | trans | -82.7 | 140.8 | 179.4 | -69 | -176.1 | -176.5 | -177.6 | 0 | 112 | D1269 M1288 L1319 T1320 | D1269-K1272 HydrophobicContact CB-CB 4.43Å; D1269-K1272 HydrophobicContact CB-CD 3.97Å; D1269-K1272 HydrophobicContact CB-CG 3.93Å; D1269-K1272 PolarHBondContact O-N 3.29Å; K1272-M1288 HydrophobicContact CB-CB 4.14Å; K1272-M1288 HydrophobicContact CB-SD 4.14Å; K1272-M1288 HydrophobicContact CD-SD 4.13Å; K1272-M1288 PolarHBondContact O-N 3.3Å; K1272-L1319 HydrophobicContact CB-CD1 3.79Å; K1272-L1319 HydrophobicContact CB-CG 4.34Å; K1272-L1319 HydrophobicContact CD-CD2 4.17Å; K1272-L1319 HydrophobicContact CD-CG 4.22Å; K1272-T1320 WeakPolarHBondContact CA-O 3.23Å | ||
| 1273 | L | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131 | -179.9 | -69.3 | 161.7 | 0 | 0 | 0 | 109.7 | I1275 T1286 R1287 L1319 T1320 T1323 V1347 | L1273-I1275 WeakPolarHBondContact O-CD1 3.06Å; L1273-T1286 CarbonylContact C-O 3.49Å; L1273-T1286 WeakPolarHBondContact CA-O 3.35Å; L1273-R1287 HydrophobicContact CD2-CB 4.47Å; L1273-R1287 HydrophobicContact CD2-CG 3.85Å; L1273-L1319 WeakPolarHBondContact O-CA 3.44Å; L1273-T1320 PolarHBondContact N-O 3.01Å; L1273-T1320 PolarHBondContact O-N 2.95Å; L1273-T1323 HydrophobicContact CD1-CG2 3.56Å; L1273-V1347 HydrophobicContact CD1-CG2 4.34Å; L1273-V1347 HydrophobicContact CD2-CG1 3.76Å; L1273-V1347 HydrophobicContact CD2-CG2 3.96Å |
| 1274 | F | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.9 | 164.5 | -78.2 | -76.1 | 0 | 0 | 0 | 110.2 | L1218 M1226 F1263 F1276 Q1285 T1286 M1288 F1291 V1317 F1318 L1319 | L1218-F1274 HydrophobicContact CD1-CE2 3.91Å; L1218-F1274 HydrophobicContact CD1-CZ 3.79Å; M1226-F1274 HydrophobicContact CE-CD1 4.46Å; M1226-F1274 HydrophobicContact CE-CE1 4.06Å; M1226-F1274 HydrophobicContact CE-CE2 4.09Å; M1226-F1274 HydrophobicContact CE-CZ 3.85Å; F1263-F1274 HydrophobicContact CD1-CE1 4.34Å; F1263-F1274 AromaticContact CD2-CE1 3.58Å; F1263-F1274 HydrophobicContact CD2-CE1 3.58Å; F1263-F1274 HydrophobicContact CD2-CZ 4.1Å; F1263-F1274 HydrophobicContact CE1-CE1 4.39Å; F1263-F1274 HydrophobicContact CE2-CD1 4.4Å; F1263-F1274 AromaticContact CE2-CE1 3.63Å; F1263-F1274 HydrophobicContact CE2-CE1 3.63Å; F1263-F1274 AromaticContact CG-CE1 3.95Å; F1263-F1274 HydrophobicContact CG-CE1 3.95Å; F1263-F1274 HydrophobicContact CG-CZ 4.31Å; F1263-F1274 HydrophobicContact CZ-CE1 4.05Å; F1274-F1276 HydrophobicContact CB-CD2 4.17Å; F1274-F1276 HydrophobicContact CB-CE1 4.13Å; F1274-F1276 HydrophobicContact CB-CE2 3.45Å; F1274-F1276 VanDerWaalsContact CB-CE2 3.45Å; F1274-F1276 HydrophobicContact CB-CZ 3.42Å; F1274-F1276 VanDerWaalsContact CB-CZ 3.42Å; F1274-F1276 HydrophobicContact CD1-CE1 4.25Å; F1274-F1276 HydrophobicContact CD1-CZ 4.07Å; F1274-F1276 HydrophobicContact CD2-CZ 4.43Å; F1274-F1276 HydrophobicContact CG-CE1 4.36Å; F1274-F1276 HydrophobicContact CG-CE2 4.24Å; F1274-F1276 AromaticContact CG-CZ 3.73Å; F1274-F1276 HydrophobicContact CG-CZ 3.73Å; F1274-Q1285 CarbonylContact O-C 3.5Å; F1274-Q1285 WeakPolarHBondContact O-CA 3.37Å; F1274-T1286 PolarHBondContact N-O 3.39Å; F1274-T1286 PolarHBondContact O-N 3.29Å; F1274-M1288 HydrophobicContact CE2-CB 4.36Å; F1274-M1288 HydrophobicContact CE2-CG 4.11Å; F1274-F1291 AromaticContact CD2-CD2 3.62Å; F1274-F1291 HydrophobicContact CD2-CD2 3.62Å; F1274-F1291 AromaticContact CD2-CE2 3.48Å; F1274-F1291 HydrophobicContact CD2-CE2 3.48Å; F1274-F1291 VanDerWaalsContact CD2-CE2 3.48Å; F1274-F1291 AromaticContact CE2-CD2 3.59Å; F1274-F1291 HydrophobicContact CE2-CD2 3.59Å; F1274-F1291 AromaticContact CE2-CE2 3.92Å; F1274-F1291 HydrophobicContact CE2-CE2 3.92Å; F1274-F1291 HydrophobicContact CG-CE2 4.21Å; F1274-V1317 HydrophobicContact CD1-CG2 3.97Å; F1274-F1318 CarbonylContact C-O 3.52Å; F1274-F1318 VanDerWaalsContact CA-O 3.28Å; F1274-F1318 WeakPolarHBondContact CA-O 3.18Å; F1274-L1319 HydrophobicContact CD1-CB 4.22Å; F1274-L1319 HydrophobicContact CD1-CD1 3.97Å; F1274-L1319 HydrophobicContact CD2-CD1 3.91Å; F1274-L1319 HydrophobicContact CE1-CB 4.02Å; F1274-L1319 HydrophobicContact CE1-CD1 3.88Å; F1274-L1319 HydrophobicContact CE1-CD2 4.34Å; F1274-L1319 HydrophobicContact CE1-CG 4.31Å; F1274-L1319 HydrophobicContact CE2-CD1 3.85Å; F1274-L1319 HydrophobicContact CG-CD1 3.98Å; F1274-L1319 HydrophobicContact CZ-CD1 3.84Å; F1274-L1319 HydrophobicContact CZ-CD2 4.19Å; F1274-L1319 HydrophobicContact CZ-CG 4.45Å |
| 1275 | I | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.4 | 170.8 | -61.1 | 78.3 | 0 | 0 | 0 | 107 | L1273 M1277 I1283 K1284 Q1285 V1317 F1318 T1320 L1342 L1371 | L1273-I1275 WeakPolarHBondContact O-CD1 3.06Å; I1275-M1277 HydrophobicContact CG2-CE 3.8Å; I1275-M1277 HydrophobicContact CG2-CG 4.49Å; I1275-I1283 HydrophobicContact CG2-CD1 4.1Å; I1275-I1283 HydrophobicContact CG2-CG1 4.2Å; I1275-K1284 WeakPolarHBondContact CA-O 3.21Å; I1275-Q1285 HydrophobicContact CG1-CG 4.27Å; I1275-V1317 VanDerWaalsContact O-CA 3.25Å; I1275-V1317 WeakPolarHBondContact O-CA 3.45Å; I1275-F1318 HydrophobicContact CB-CB 4.37Å; I1275-F1318 HydrophobicContact CD1-CB 4.46Å; I1275-F1318 PolarHBondContact N-O 3.18Å; I1275-F1318 PolarHBondContact O-N 2.86Å; I1275-T1320 HydrophobicContact CD1-CG2 3.39Å; I1275-L1342 HydrophobicContact CD1-CD2 4.49Å; I1275-L1342 HydrophobicContact CG1-CD1 4.01Å; I1275-L1342 HydrophobicContact CG1-CD2 4.29Å; I1275-L1342 HydrophobicContact CG2-CD1 4.39Å; I1275-L1371 HydrophobicContact CD1-CD1 4.01Å; I1275-L1371 HydrophobicContact CG1-CD1 4.24Å |
| 1276 | F | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.9 | 178.3 | -56 | -75.7 | 0 | 0 | 0 | 110.2 | L1220 M1226 F1274 I1283 K1284 F1291 A1304 M1305 I1314 V1317 | L1220-F1276 HydrophobicContact CD1-CD1 4.35Å; L1220-F1276 HydrophobicContact CD1-CE1 3.71Å; L1220-F1276 HydrophobicContact CD2-CD1 3.8Å; L1220-F1276 HydrophobicContact CD2-CE1 3.62Å; L1220-F1276 HydrophobicContact CG-CE1 4.36Å; M1226-F1276 HydrophobicContact CE-CE1 4.42Å; M1226-F1276 HydrophobicContact CE-CZ 4.19Å; F1274-F1276 HydrophobicContact CB-CD2 4.17Å; F1274-F1276 HydrophobicContact CB-CE1 4.13Å; F1274-F1276 HydrophobicContact CB-CE2 3.45Å; F1274-F1276 VanDerWaalsContact CB-CE2 3.45Å; F1274-F1276 HydrophobicContact CB-CZ 3.42Å; F1274-F1276 VanDerWaalsContact CB-CZ 3.42Å; F1274-F1276 HydrophobicContact CD1-CE1 4.25Å; F1274-F1276 HydrophobicContact CD1-CZ 4.07Å; F1274-F1276 HydrophobicContact CD2-CZ 4.43Å; F1274-F1276 HydrophobicContact CG-CE1 4.36Å; F1274-F1276 HydrophobicContact CG-CE2 4.24Å; F1274-F1276 AromaticContact CG-CZ 3.73Å; F1274-F1276 HydrophobicContact CG-CZ 3.73Å; F1276-I1283 CarbonylContact O-C 3.58Å; F1276-I1283 VanDerWaalsContact O-CA 3.25Å; F1276-I1283 WeakPolarHBondContact O-CA 3.47Å; F1276-K1284 HydrophobicContact CB-CG 4.15Å; F1276-K1284 HydrophobicContact CD2-CD 4.39Å; F1276-K1284 HydrophobicContact CD2-CG 3.97Å; F1276-K1284 PolarHBondContact N-O 2.89Å; F1276-K1284 PolarHBondContact O-N 3.4Å; F1276-F1291 HydrophobicContact CE2-CE2 4.32Å; F1276-F1291 HydrophobicContact CE2-CZ 4.11Å; F1276-F1291 HydrophobicContact CZ-CE2 4.06Å; F1276-F1291 AromaticContact CZ-CZ 3.9Å; F1276-F1291 HydrophobicContact CZ-CZ 3.9Å; F1276-A1304 HydrophobicContact CE1-CB 4.06Å; F1276-A1304 HydrophobicContact CE2-CB 4.48Å; F1276-A1304 HydrophobicContact CZ-CB 3.91Å; F1276-M1305 HydrophobicContact CB-CB 4.47Å; F1276-M1305 HydrophobicContact CB-SD 3.54Å; F1276-M1305 VanDerWaalsContact CB-SD 3.54Å; F1276-I1314 HydrophobicContact CB-CD1 4.48Å; F1276-V1317 HydrophobicContact CD1-CB 4.24Å; F1276-V1317 HydrophobicContact CD1-CG2 3.74Å; F1276-V1317 HydrophobicContact CE1-CG2 3.73Å |
| 1277 | M | 96.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.5 | 176 | -54 | -170.4 | -159 | 0 | 0 | 110.5 | I1275 M1282 I1283 I1314 V1315 S1316 F1318 V1328 I1330 L1371 | I1275-M1277 HydrophobicContact CG2-CE 3.8Å; I1275-M1277 HydrophobicContact CG2-CG 4.49Å; M1277-M1282 CarbonylContact C-O 3.53Å; M1277-M1282 WeakPolarHBondContact CA-O 3.48Å; M1277-I1283 HydrophobicContact CE-CD1 3.71Å; M1277-I1283 HydrophobicContact CG-CB 4.41Å; M1277-I1283 HydrophobicContact CG-CD1 3.81Å; M1277-I1283 HydrophobicContact CG-CG1 3.88Å; M1277-I1283 HydrophobicContact SD-CD1 3.91Å; M1277-I1314 WeakPolarHBondContact O-CA 3.22Å; M1277-V1315 HydrophobicContact CB-CG2 4.42Å; M1277-V1315 WeakPolarHBondContact O-CG2 3.5Å; M1277-V1315 PolarHBondContact O-N 3.46Å; M1277-S1316 PolarHBondContact N-O 3.42Å; M1277-S1316 PolarHBondContact O-N 3.11Å; M1277-F1318 HydrophobicContact CE-CD2 4.15Å; M1277-F1318 HydrophobicContact CE-CE2 3.9Å; M1277-V1328 HydrophobicContact CE-CG1 3.87Å; M1277-V1328 HydrophobicContact SD-CG1 4.29Å; M1277-I1330 HydrophobicContact SD-CD1 4.06Å; M1277-I1330 HydrophobicContact SD-CG1 3.9Å; M1277-L1371 HydrophobicContact CE-CD2 4.19Å |
| 1278 | S | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 158.2 | 179.8 | 88.7 | 0 | 0 | 0 | 0 | 113.6 | E1280 G1281 M1282 D1312 E1313 | S1278-E1280 VanDerWaalsContact C-N 3.31Å; S1278-E1280 PolarHBondContact O-N 2.81Å; S1278-G1281 WeakPolarHBondContact O-CA 3.49Å; S1278-G1281 PolarHBondContact O-N 2.85Å; S1278-M1282 PolarHBondContact N-O 2.58Å; S1278-M1282 WeakPolarHBondContact OG-CB 3.44Å; S1278-M1282 PolarHBondContact OG-N 2.99Å; S1278-D1312 VanDerWaalsContact CB-OD1 3.3Å; S1278-D1312 WeakPolarHBondContact CB-OD1 3.44Å; S1278-D1312 PolarHBondContact OG-OD1 3.16Å; S1278-D1312 VanDerWaalsContact OG-OD1 3.08Å; S1278-D1312 PolarHBondContact OG-OD2 3.36Å; S1278-D1312 VanDerWaalsContact OG-OD2 3.06Å; S1278-E1313 CarbonylContact C-O 3.08Å; S1278-E1313 WeakPolarHBondContact CA-O 3.24Å; S1278-E1313 WeakPolarHBondContact CB-O 3.46Å |
| 1279 | K | 95.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 24% | 0.239 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -38.6 | 178 | -178.9 | 173.1 | -177.9 | 174.9 | 0 | 113.3 | G1281 D1312 E1313 V1315 Y1365 V1366 | K1279-G1281 PolarHBondContact O-N 3.34Å; K1279-G1281 VanDerWaalsContact O-N 3.09Å; K1279-D1312 PolarHBondContact N-OD1 2.75Å; K1279-E1313 HydrophobicContact CB-CG 4Å; K1279-E1313 HydrophobicContact CD-CG 3.77Å; K1279-E1313 VanDerWaalsContact CD-OE1 3.23Å; K1279-E1313 WeakPolarHBondContact CD-OE1 3.4Å; K1279-E1313 PolarHBondContact N-O 3.27Å; K1279-E1313 IonicContact NZ-OE1 3.85Å; K1279-E1313 PolarHBondContact NZ-OE1 3.26Å; K1279-V1315 HydrophobicContact CB-CG1 3.83Å; K1279-Y1365 HydrophobicContact CD-CD2 4.49Å; K1279-Y1365 HydrophobicContact CG-CD2 3.96Å; K1279-Y1365 HydrophobicContact CG-CG 4.18Å; K1279-V1366 PolarHBondContact O-N 2.93Å |
| 1280 | E | 95.3 | Very high | 95 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 7.2 | 174.3 | -76.3 | -73.7 | 140.5 | 0 | 0 | 113.9 | S1278 K1308 D1312 | S1278-E1280 VanDerWaalsContact C-N 3.31Å; S1278-E1280 PolarHBondContact O-N 2.81Å; E1280-K1308 HydrophobicContact CB-CB 4.43Å; E1280-K1308 HydrophobicContact CB-CD 3.93Å; E1280-K1308 HydrophobicContact CG-CD 4.23Å; E1280-K1308 IonicContact OE2-NZ 3.43Å; E1280-K1308 PolarHBondContact OE2-NZ 3.28Å; E1280-D1312 HydrophobicContact CB-CB 4.31Å; E1280-D1312 WeakPolarHBondContact CB-OD1 3.37Å; E1280-D1312 HydrophobicContact CG-CB 3.67Å; E1280-D1312 VanDerWaalsContact CG-CG 3.44Å; E1280-D1312 WeakPolarHBondContact CG-OD1 3.33Å; E1280-D1312 PolarHBondContact N-OD1 3.46Å |
| 1281 | G | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 77.2 | 36.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1278 K1279 A1357 | S1278-G1281 WeakPolarHBondContact O-CA 3.49Å; S1278-G1281 PolarHBondContact O-N 2.85Å; K1279-G1281 PolarHBondContact O-N 3.34Å; K1279-G1281 VanDerWaalsContact O-N 3.09Å; G1281-A1357 VanDerWaalsContact O-CB 3.31Å; G1281-A1357 WeakPolarHBondContact O-CB 3.3Å; G1281-A1357 PolarHBondContact O-N 3.12Å |
| 1282 | M | 96.5 | Very high | 95.3 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 15% | 0.148 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 148.1 | 171 | -55.8 | -59.9 | -65.8 | 0 | 0 | 110.5 | M1277 S1278 M1305 A1353 G1354 V1355 | M1277-M1282 CarbonylContact C-O 3.53Å; M1277-M1282 WeakPolarHBondContact CA-O 3.48Å; S1278-M1282 PolarHBondContact N-O 2.58Å; S1278-M1282 WeakPolarHBondContact OG-CB 3.44Å; S1278-M1282 PolarHBondContact OG-N 2.99Å; M1282-M1305 HydrophobicContact CB-CE 3.47Å; M1282-M1305 VanDerWaalsContact CB-CE 3.47Å; M1282-A1353 WeakPolarHBondContact CB-O 3.48Å; M1282-G1354 WeakPolarHBondContact CE-O 3.44Å; M1282-V1355 CarbonylContact C-O 3.59Å; M1282-V1355 WeakPolarHBondContact CA-O 3.39Å |
| 1283 | I | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 146.3 | 177.7 | -174.1 | 166.6 | 0 | 0 | 0 | 111 | I1275 F1276 M1277 V1328 V1345 G1354 V1355 A1357 | I1275-I1283 HydrophobicContact CG2-CD1 4.1Å; I1275-I1283 HydrophobicContact CG2-CG1 4.2Å; F1276-I1283 CarbonylContact O-C 3.58Å; F1276-I1283 VanDerWaalsContact O-CA 3.25Å; F1276-I1283 WeakPolarHBondContact O-CA 3.47Å; M1277-I1283 HydrophobicContact CE-CD1 3.71Å; M1277-I1283 HydrophobicContact CG-CB 4.41Å; M1277-I1283 HydrophobicContact CG-CD1 3.81Å; M1277-I1283 HydrophobicContact CG-CG1 3.88Å; M1277-I1283 HydrophobicContact SD-CD1 3.91Å; I1283-V1328 HydrophobicContact CD1-CB 4.47Å; I1283-V1328 HydrophobicContact CD1-CG1 3.74Å; I1283-V1328 HydrophobicContact CD1-CG2 3.92Å; I1283-V1345 HydrophobicContact CD1-CG2 3.82Å; I1283-V1345 HydrophobicContact CG1-CG1 3.95Å; I1283-V1345 HydrophobicContact CG1-CG2 4.11Å; I1283-V1345 HydrophobicContact CG2-CG1 4.1Å; I1283-V1345 HydrophobicContact CG2-CG2 3.93Å; I1283-G1354 CarbonylContact O-C 3.58Å; I1283-G1354 WeakPolarHBondContact O-CA 3.33Å; I1283-V1355 HydrophobicContact CG2-CG2 4.01Å; I1283-V1355 PolarHBondContact N-O 2.75Å; I1283-V1355 PolarHBondContact O-N 2.77Å; I1283-A1357 HydrophobicContact CB-CB 3.63Å; I1283-A1357 HydrophobicContact CG2-CB 3.37Å |
| 1284 | K | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159.8 | 171.2 | 68.6 | -177.7 | -162.6 | 164.7 | 0 | 113.5 | I1275 F1276 T1286 A1304 M1305 V1348 G1349 S1350 A1352 | I1275-K1284 WeakPolarHBondContact CA-O 3.21Å; F1276-K1284 HydrophobicContact CB-CG 4.15Å; F1276-K1284 HydrophobicContact CD2-CD 4.39Å; F1276-K1284 HydrophobicContact CD2-CG 3.97Å; F1276-K1284 PolarHBondContact N-O 2.89Å; F1276-K1284 PolarHBondContact O-N 3.4Å; K1284-T1286 WeakPolarHBondContact CE-OG1 3.49Å; K1284-A1304 WeakPolarHBondContact CE-O 3.33Å; K1284-A1304 PolarHBondContact NZ-O 3.4Å; K1284-M1305 HydrophobicContact CD-CB 4.45Å; K1284-M1305 HydrophobicContact CD-CG 4.06Å; K1284-M1305 HydrophobicContact CD-SD 4.3Å; K1284-M1305 HydrophobicContact CG-SD 4.27Å; K1284-V1348 HydrophobicContact CB-CG2 3.71Å; K1284-V1348 HydrophobicContact CD-CG2 3.94Å; K1284-V1348 HydrophobicContact CG-CG2 4.36Å; K1284-G1349 PolarHBondContact NZ-O 3.23Å; K1284-G1349 VanDerWaalsContact NZ-O 3.12Å; K1284-S1350 PolarHBondContact NZ-O 3.33Å; K1284-A1352 WeakPolarHBondContact CD-O 3.46Å; K1284-A1352 PolarHBondContact NZ-O 3.27Å |
| 1285 | Q | 96.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.1 | 163.9 | -50.9 | -168.2 | 50.3 | 0 | 0 | 110 | F1274 I1275 L1342 V1345 P1346 V1347 V1348 | F1274-Q1285 CarbonylContact O-C 3.5Å; F1274-Q1285 WeakPolarHBondContact O-CA 3.37Å; I1275-Q1285 HydrophobicContact CG1-CG 4.27Å; Q1285-L1342 HydrophobicContact CG-CD1 4.18Å; Q1285-L1342 PolarHBondContact NE2-O 2.85Å; Q1285-L1342 VanDerWaalsContact NE2-O 3.1Å; Q1285-V1345 HydrophobicContact CG-CB 4.11Å; Q1285-V1345 HydrophobicContact CG-CG1 3.8Å; Q1285-V1345 PolarHBondContact NE2-O 2.8Å; Q1285-P1346 PolarHBondContact N-O 2.81Å; Q1285-V1347 HydrophobicContact CB-CB 4.36Å; Q1285-V1347 HydrophobicContact CB-CG2 3.91Å; Q1285-V1347 CarbonylContact O-C 3.56Å; Q1285-V1347 WeakPolarHBondContact O-CA 3.4Å; Q1285-V1348 PolarHBondContact O-N 2.9Å; Q1285-V1348 VanDerWaalsContact O-O 3.08Å |
| 1286 | T | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 135.3 | 177.9 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | L1273 F1274 K1284 E1290 F1291 V1348 | L1273-T1286 CarbonylContact C-O 3.49Å; L1273-T1286 WeakPolarHBondContact CA-O 3.35Å; F1274-T1286 PolarHBondContact N-O 3.39Å; F1274-T1286 PolarHBondContact O-N 3.29Å; K1284-T1286 WeakPolarHBondContact CE-OG1 3.49Å; T1286-E1290 HydrophobicContact CG2-CB 3.85Å; T1286-E1290 HydrophobicContact CG2-CG 3.77Å; T1286-F1291 HydrophobicContact CG2-CE2 3.9Å; T1286-F1291 HydrophobicContact CG2-CZ 4.02Å; T1286-V1348 WeakPolarHBondContact CA-O 3.34Å; T1286-V1348 WeakPolarHBondContact CB-O 3.47Å; T1286-V1348 PolarHBondContact OG1-O 2.85Å |
| 1287 | R | 95.3 | Very high | 93.3 | Very high | 132 Ų | 132 | 44.8 Ų | 44.8 | 50% | 0.498 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 142.7 | -179.4 | -65.4 | 178.1 | -178.7 | -101 | 1.8 | 111.5 | L1273 T1289 E1290 V1347 | L1273-R1287 HydrophobicContact CD2-CB 4.47Å; L1273-R1287 HydrophobicContact CD2-CG 3.85Å; R1287-T1289 PolarHBondContact O-N 3.45Å; R1287-E1290 HydrophobicContact CB-CG 4.34Å; R1287-E1290 VanDerWaalsContact O-CB 3.28Å; R1287-E1290 WeakPolarHBondContact O-CB 3.44Å; R1287-E1290 WeakPolarHBondContact O-CG 3.44Å; R1287-E1290 PolarHBondContact O-N 3.32Å; R1287-V1347 HydrophobicContact CG-CG1 4.06Å |
| 1288 | M | 95.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -57.8 | -32.2 | 175.6 | -171.9 | -178.8 | 176.3 | 0 | 0 | 112.5 | L1218 Y1265 I1268 D1269 K1272 F1274 E1290 F1291 | L1218-M1288 HydrophobicContact CD1-CE 4.24Å; L1218-M1288 HydrophobicContact CD1-CG 4.48Å; Y1265-M1288 HydrophobicContact CD1-CE 3.73Å; Y1265-M1288 HydrophobicContact CD2-CE 3.95Å; Y1265-M1288 HydrophobicContact CE1-CE 4.34Å; Y1265-M1288 HydrophobicContact CG-CE 3.49Å; Y1265-M1288 VanDerWaalsContact CG-CE 3.49Å; I1268-M1288 HydrophobicContact CG1-CE 4.39Å; I1268-M1288 HydrophobicContact CG2-CG 4.23Å; D1269-M1288 HydrophobicContact CB-SD 4.4Å; K1272-M1288 HydrophobicContact CB-CB 4.14Å; K1272-M1288 HydrophobicContact CB-SD 4.14Å; K1272-M1288 HydrophobicContact CD-SD 4.13Å; K1272-M1288 PolarHBondContact O-N 3.3Å; F1274-M1288 HydrophobicContact CE2-CB 4.36Å; F1274-M1288 HydrophobicContact CE2-CG 4.11Å; M1288-E1290 PolarHBondContact O-N 3.06Å; M1288-F1291 PolarHBondContact O-N 2.69Å |
| 1289 | T | 93.3 | Very high | 92.5 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -62.5 | -18.8 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | I1268 A1270 R1287 F1291 S1292 | I1268-T1289 HydrophobicContact CG2-CG2 3.72Å; A1270-T1289 HydrophobicContact CB-CG2 3.95Å; R1287-T1289 PolarHBondContact O-N 3.45Å; T1289-F1291 PolarHBondContact O-N 3.17Å; T1289-S1292 PolarHBondContact O-N 2.94Å; T1289-S1292 PolarHBondContact O-OG 3.35Å |
| 1290 | E | 93 | Very high | 92.3 | Very high | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -66.6 | -14.3 | 172.3 | -66.6 | -81 | 147.7 | 0 | 0 | 112.2 | T1286 R1287 M1288 S1350 | T1286-E1290 HydrophobicContact CG2-CB 3.85Å; T1286-E1290 HydrophobicContact CG2-CG 3.77Å; R1287-E1290 HydrophobicContact CB-CG 4.34Å; R1287-E1290 VanDerWaalsContact O-CB 3.28Å; R1287-E1290 WeakPolarHBondContact O-CB 3.44Å; R1287-E1290 WeakPolarHBondContact O-CG 3.44Å; R1287-E1290 PolarHBondContact O-N 3.32Å; M1288-E1290 PolarHBondContact O-N 3.06Å; E1290-S1350 PolarHBondContact OE2-N 3.34Å |
| 1291 | F | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -112.6 | 24.3 | 180 | -52.4 | -66.8 | 0 | 0 | 0 | 112.5 | L1218 M1226 F1274 F1276 T1286 M1288 T1289 T1302 A1304 | L1218-F1291 HydrophobicContact CD1-CB 4.11Å; L1218-F1291 HydrophobicContact CD2-CB 4.01Å; M1226-F1291 HydrophobicContact CB-CD1 3.76Å; M1226-F1291 HydrophobicContact CB-CE1 3.81Å; M1226-F1291 HydrophobicContact CE-CD1 4.32Å; M1226-F1291 HydrophobicContact CE-CD2 4.11Å; M1226-F1291 HydrophobicContact CE-CE1 4.27Å; M1226-F1291 HydrophobicContact CE-CE2 4.05Å; M1226-F1291 HydrophobicContact CE-CG 4.23Å; M1226-F1291 HydrophobicContact CE-CZ 4.13Å; M1226-F1291 HydrophobicContact CG-CB 4.34Å; M1226-F1291 HydrophobicContact CG-CD1 3.62Å; M1226-F1291 HydrophobicContact CG-CE1 4.09Å; M1226-F1291 HydrophobicContact CG-CG 4.01Å; F1274-F1291 AromaticContact CD2-CD2 3.62Å; F1274-F1291 HydrophobicContact CD2-CD2 3.62Å; F1274-F1291 AromaticContact CD2-CE2 3.48Å; F1274-F1291 HydrophobicContact CD2-CE2 3.48Å; F1274-F1291 VanDerWaalsContact CD2-CE2 3.48Å; F1274-F1291 AromaticContact CE2-CD2 3.59Å; F1274-F1291 HydrophobicContact CE2-CD2 3.59Å; F1274-F1291 AromaticContact CE2-CE2 3.92Å; F1274-F1291 HydrophobicContact CE2-CE2 3.92Å; F1274-F1291 HydrophobicContact CG-CE2 4.21Å; F1276-F1291 HydrophobicContact CE2-CE2 4.32Å; F1276-F1291 HydrophobicContact CE2-CZ 4.11Å; F1276-F1291 HydrophobicContact CZ-CE2 4.06Å; F1276-F1291 AromaticContact CZ-CZ 3.9Å; F1276-F1291 HydrophobicContact CZ-CZ 3.9Å; T1286-F1291 HydrophobicContact CG2-CE2 3.9Å; T1286-F1291 HydrophobicContact CG2-CZ 4.02Å; M1288-F1291 PolarHBondContact O-N 2.69Å; T1289-F1291 PolarHBondContact O-N 3.17Å; F1291-T1302 HydrophobicContact CD1-CG2 3.83Å; F1291-T1302 HydrophobicContact CE1-CG2 4.2Å; F1291-A1304 HydrophobicContact CE1-CB 4.17Å; F1291-A1304 HydrophobicContact CZ-CB 4.17Å |
| 1292 | S | 89.4 | Confident | 92 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -55.6 | 148.4 | 165.7 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | I1268 T1289 W1294 | I1268-S1292 WeakPolarHBondContact CD1-OG 3.46Å; T1289-S1292 PolarHBondContact O-N 2.94Å; T1289-S1292 PolarHBondContact O-OG 3.35Å; S1292-W1294 PolarHBondContact O-N 3.44Å |
| 1293 | P | 86.9 | Confident | 91.9 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 116.8 | -177.7 | -27.5 | 35.5 | 0 | 0 | 0 | 111.5 | Y1228 | Y1228-P1293 HydrophobicContact CD1-CB 4.03Å; Y1228-P1293 HydrophobicContact CD1-CG 4.25Å; Y1228-P1293 HydrophobicContact CE1-CB 3.6Å; Y1228-P1293 HydrophobicContact CE1-CG 3.67Å; Y1228-P1293 HydrophobicContact CE2-CG 4.01Å |
| 1294 | W | 90 | Very high | 91.8 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 151 | 179.6 | 63.4 | 97.8 | 0 | 0 | 0 | 110.4 | M1226 S1292 T1296 Y1297 R1300 T1302 | M1226-W1294 WeakPolarHBondContact O-CH2 3.16Å; S1292-W1294 PolarHBondContact O-N 3.44Å; W1294-T1296 PolarHBondContact O-N 3.21Å; W1294-Y1297 VanDerWaalsContact CE2-CA 3.42Å; W1294-Y1297 VanDerWaalsContact NE1-CA 3.27Å; W1294-Y1297 WeakPolarHBondContact O-CB 3.44Å; W1294-Y1297 WeakPolarHBondContact O-CD1 3.36Å; W1294-Y1297 PolarHBondContact O-N 3.49Å; W1294-R1300 WeakPolarHBondContact CZ2-O 2.98Å; W1294-R1300 PolarHBondContact NE1-O 3Å; W1294-T1302 HydrophobicContact CD2-CG2 4.36Å; W1294-T1302 HydrophobicContact CE3-CG2 4.05Å; W1294-T1302 HydrophobicContact CH2-CG2 3.69Å; W1294-T1302 HydrophobicContact CZ2-CG2 4.02Å; W1294-T1302 HydrophobicContact CZ3-CG2 3.7Å |
| 1295 | R | 82.8 | Confident | 91.7 | Very high | 253 Ų | 253 | 58.5 Ų | 58.5 | 96% | 0.955 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -32.8 | -171.8 | -173.7 | 176.7 | 179 | 171.5 | 0.4 | 116 | ||
| 1296 | T | 87.3 | Confident | 91.6 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 15 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | W1294 R1298 S1299 R1300 | W1294-T1296 PolarHBondContact O-N 3.21Å; T1296-R1298 PolarHBondContact O-N 2.83Å; T1296-S1299 PolarHBondContact O-N 2.94Å; T1296-R1300 PolarHBondContact O-N 3.48Å |
| 1297 | Y | 90.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.6 | -174.9 | 77.7 | -95 | 0 | 0 | 0 | 113.4 | Y1228 P1230 E1233 W1294 S1299 | Y1228-Y1297 HydrophobicContact CD1-CD1 4.07Å; Y1228-Y1297 AromaticContact CD1-CD2 3.42Å; Y1228-Y1297 HydrophobicContact CD1-CD2 3.42Å; Y1228-Y1297 VanDerWaalsContact CD1-CD2 3.42Å; Y1228-Y1297 HydrophobicContact CD1-CE1 4.48Å; Y1228-Y1297 AromaticContact CD1-CE2 3.88Å; Y1228-Y1297 HydrophobicContact CD1-CE2 3.88Å; Y1228-Y1297 AromaticContact CD1-CG 3.53Å; Y1228-Y1297 HydrophobicContact CD1-CG 3.53Å; Y1228-Y1297 HydrophobicContact CE1-CD1 4.2Å; Y1228-Y1297 AromaticContact CE1-CD2 3.88Å; Y1228-Y1297 HydrophobicContact CE1-CD2 3.88Å; Y1228-Y1297 HydrophobicContact CE1-CE1 4.2Å; Y1228-Y1297 AromaticContact CE1-CE2 3.84Å; Y1228-Y1297 HydrophobicContact CE1-CE2 3.84Å; Y1228-Y1297 HydrophobicContact CE1-CG 4.06Å; Y1228-Y1297 HydrophobicContact CG-CD2 4.48Å; Y1228-Y1297 WeakPolarHBondContact O-CD2 3.4Å; P1230-Y1297 HydrophobicContact CG-CE2 4.44Å; E1233-Y1297 PolarHBondContact OE1-OH 3.29Å; E1233-Y1297 VanDerWaalsContact OE2-CE2 3.29Å; E1233-Y1297 WeakPolarHBondContact OE2-CE2 3.25Å; E1233-Y1297 PolarHBondContact OE2-OH 3.22Å; W1294-Y1297 VanDerWaalsContact CE2-CA 3.42Å; W1294-Y1297 VanDerWaalsContact NE1-CA 3.27Å; W1294-Y1297 WeakPolarHBondContact O-CB 3.44Å; W1294-Y1297 WeakPolarHBondContact O-CD1 3.36Å; W1294-Y1297 PolarHBondContact O-N 3.49Å; Y1297-S1299 VanDerWaalsContact C-N 3.31Å; Y1297-S1299 PolarHBondContact O-N 2.88Å |
| 1298 | R | 86.9 | Confident | 91.2 | Very high | 143 Ų | 143 | 66 Ų | 66 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.4 | -179.1 | -68.3 | -170.6 | -179.1 | 129.8 | -0.1 | 114.1 | R1229 E1233 T1249 T1296 | R1229-R1298 PolarHBondContact NH2-O 3.37Å; E1233-R1298 IonicContact OE1-CZ 2.84Å; E1233-R1298 IonicContact OE1-NE 2.88Å; E1233-R1298 PolarHBondContact OE1-NE 3.42Å; E1233-R1298 IonicContact OE1-NH2 3.3Å; E1233-R1298 PolarHBondContact OE1-NH2 3.44Å; E1233-R1298 IonicContact OE2-NE 3.84Å; T1249-R1298 VanDerWaalsContact O-O 3.11Å; T1296-R1298 PolarHBondContact O-N 2.83Å |
| 1299 | S | 89 | Confident | 91 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -16.9 | -171.8 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | T1249 T1251 T1296 Y1297 | T1249-S1299 WeakPolarHBondContact O-CA 3.41Å; T1251-S1299 PolarHBondContact N-O 2.86Å; T1251-S1299 VanDerWaalsContact N-O 3.09Å; T1251-S1299 PolarHBondContact OG1-O 2.93Å; T1251-S1299 VanDerWaalsContact OG1-O 3.13Å; T1296-S1299 PolarHBondContact O-N 2.94Å; Y1297-S1299 VanDerWaalsContact C-N 3.31Å; Y1297-S1299 PolarHBondContact O-N 2.88Å |
| 1300 | R | 89.9 | Confident | 90.7 | Very high | 144 Ų | 144 | 74 Ų | 74 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | trans | -140.3 | 130.3 | -175.1 | -65 | -175.2 | 177.9 | -179.8 | -0.4 | 111.3 | W1294 T1296 | W1294-R1300 WeakPolarHBondContact CZ2-O 2.98Å; W1294-R1300 PolarHBondContact NE1-O 3Å; T1296-R1300 PolarHBondContact O-N 3.48Å | ||
| 1301 | P | 91.9 | Very high | 90.5 | Very high | 15 Ų | 15 | 74.7 Ų | 74.7 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -70.6 | 165.4 | 169 | 35.2 | -31.5 | 0 | 0 | 0 | 109.7 | N1225 M1226 I1227 I1250 N1252 | N1225-P1301 HydrophobicContact CB-CB 3.9Å; N1225-P1301 HydrophobicContact CB-CG 4.08Å; M1226-P1301 WeakPolarHBondContact O-CA 3.49Å; M1226-P1301 WeakPolarHBondContact O-CB 3.5Å; I1227-P1301 HydrophobicContact CG1-CB 3.81Å; I1250-P1301 HydrophobicContact CG2-CG 4.31Å; N1252-P1301 WeakPolarHBondContact OD1-CD 3.49Å | ||
| 1302 | T | 93.2 | Very high | 90.5 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.2 | 168.9 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | M1226 F1291 W1294 A1304 | M1226-T1302 HydrophobicContact CB-CG2 3.92Å; M1226-T1302 PolarHBondContact N-O 2.72Å; M1226-T1302 PolarHBondContact O-N 3.08Å; F1291-T1302 HydrophobicContact CD1-CG2 3.83Å; F1291-T1302 HydrophobicContact CE1-CG2 4.2Å; W1294-T1302 HydrophobicContact CD2-CG2 4.36Å; W1294-T1302 HydrophobicContact CE3-CG2 4.05Å; W1294-T1302 HydrophobicContact CH2-CG2 3.69Å; W1294-T1302 HydrophobicContact CZ2-CG2 4.02Å; W1294-T1302 HydrophobicContact CZ3-CG2 3.7Å; T1302-A1304 PolarHBondContact O-N 3.1Å; T1302-A1304 VanDerWaalsContact O-N 3.16Å |
| 1303 | T | 93.9 | Very high | 90.7 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 117.2 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | S1350 | T1303-S1350 CarbonylContact O-C 3.48Å; T1303-S1350 VanDerWaalsContact O-CB 3.28Å; T1303-S1350 WeakPolarHBondContact O-CB 3.09Å |
| 1304 | A | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -80.2 | -38.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1220 G1224 M1226 F1276 K1284 F1291 T1302 S1350 | L1220-A1304 HydrophobicContact CD1-CB 3.42Å; L1220-A1304 VanDerWaalsContact CD1-CB 3.42Å; G1224-A1304 WeakPolarHBondContact O-CA 3.39Å; G1224-A1304 VanDerWaalsContact O-CB 3.3Å; G1224-A1304 WeakPolarHBondContact O-CB 3.4Å; G1224-A1304 PolarHBondContact O-N 3.24Å; M1226-A1304 HydrophobicContact CB-CB 4.01Å; F1276-A1304 HydrophobicContact CE1-CB 4.06Å; F1276-A1304 HydrophobicContact CE2-CB 4.48Å; F1276-A1304 HydrophobicContact CZ-CB 3.91Å; K1284-A1304 WeakPolarHBondContact CE-O 3.33Å; K1284-A1304 PolarHBondContact NZ-O 3.4Å; F1291-A1304 HydrophobicContact CE1-CB 4.17Å; F1291-A1304 HydrophobicContact CZ-CB 4.17Å; T1302-A1304 PolarHBondContact O-N 3.1Å; T1302-A1304 VanDerWaalsContact O-N 3.16Å; A1304-S1350 CarbonylContact C-O 3.55Å |
| 1305 | M | 95.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -152.4 | 130.2 | 177.5 | -177.5 | 167.5 | 171.6 | 0 | 0 | 110.4 | G1224 F1276 M1282 K1284 L1307 I1314 A1353 | G1224-M1305 PolarHBondContact O-N 3.1Å; F1276-M1305 HydrophobicContact CB-CB 4.47Å; F1276-M1305 HydrophobicContact CB-SD 3.54Å; F1276-M1305 VanDerWaalsContact CB-SD 3.54Å; M1282-M1305 HydrophobicContact CB-CE 3.47Å; M1282-M1305 VanDerWaalsContact CB-CE 3.47Å; K1284-M1305 HydrophobicContact CD-CB 4.45Å; K1284-M1305 HydrophobicContact CD-CG 4.06Å; K1284-M1305 HydrophobicContact CD-SD 4.3Å; K1284-M1305 HydrophobicContact CG-SD 4.27Å; M1305-L1307 PolarHBondContact O-N 2.83Å; M1305-I1314 HydrophobicContact CB-CD1 3.91Å; M1305-I1314 HydrophobicContact CE-CD1 4.45Å; M1305-I1314 HydrophobicContact CG-CD1 4.01Å; M1305-I1314 HydrophobicContact SD-CD1 3.37Å; M1305-I1314 WeakPolarHBondContact SD-CD1 3.49Å; M1305-A1353 WeakPolarHBondContact CE-O 3.09Å |
| 1306 | K | 94.1 | Very high | 91.8 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 60% | 0.596 | 30% | 0.301 | S | S | * | . | trans | -75.5 | 114.6 | 174 | -176.5 | 175.1 | -177.8 | 178.5 | 0 | 109.4 | K1351 A1352 A1353 | K1306-K1351 WeakPolarHBondContact CB-O 3.36Å; K1306-A1352 PolarHBondContact N-O 2.75Å; K1306-A1353 HydrophobicContact CB-CB 4.32Å; K1306-A1353 WeakPolarHBondContact O-CA 3.31Å; K1306-A1353 WeakPolarHBondContact O-CB 3.42Å | ||
| 1307 | L | 93.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | trans | -70.4 | 149.9 | 176.7 | -64.4 | 177.1 | 0 | 0 | 0 | 111.3 | H1223 M1305 D1312 I1314 | H1223-L1307 VanDerWaalsContact C-CD1 3.48Å; H1223-L1307 HydrophobicContact CB-CD1 4.36Å; H1223-L1307 VanDerWaalsContact O-CD1 3.25Å; H1223-L1307 WeakPolarHBondContact O-CD1 3.29Å; M1305-L1307 PolarHBondContact O-N 2.83Å; L1307-D1312 HydrophobicContact CB-CB 4.17Å; L1307-D1312 VanDerWaalsContact CD1-O 3.29Å; L1307-D1312 WeakPolarHBondContact CD1-O 3.09Å; L1307-D1312 HydrophobicContact CD2-CB 4.41Å; L1307-I1314 HydrophobicContact CD2-CD1 3.89Å; L1307-I1314 HydrophobicContact CD2-CG1 4.29Å | ||
| 1308 | K | 89.9 | Confident | 92.4 | Very high | 123 Ų | 123 | 59.9 Ų | 59.9 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -74.1 | -33.3 | -172.4 | -174.9 | -176.5 | 166.8 | -155.9 | 0 | 112.7 | E1280 D1312 | E1280-K1308 HydrophobicContact CB-CB 4.43Å; E1280-K1308 HydrophobicContact CB-CD 3.93Å; E1280-K1308 HydrophobicContact CG-CD 4.23Å; E1280-K1308 IonicContact OE2-NZ 3.43Å; E1280-K1308 PolarHBondContact OE2-NZ 3.28Å; K1308-D1312 PolarHBondContact N-OD2 3.48Å; K1308-D1312 VanDerWaalsContact N-OD2 3.15Å |
| 1309 | N | 90.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -154 | 172.5 | 177.1 | 60.6 | 51.6 | 0 | 0 | 0 | 109.2 | T1311 D1312 | N1309-T1311 PolarHBondContact O-N 3.13Å; N1309-T1311 VanDerWaalsContact O-N 3.16Å; N1309-T1311 WeakPolarHBondContact OD1-CA 3.41Å; N1309-T1311 PolarHBondContact OD1-N 2.92Å; N1309-T1311 PolarHBondContact OD1-OG1 3.01Å; N1309-D1312 WeakPolarHBondContact O-CB 3.24Å; N1309-D1312 PolarHBondContact O-N 3.44Å; N1309-D1312 PolarHBondContact OD1-N 2.68Å |
| 1310 | D | 86.5 | Confident | 92.9 | Very high | 171 Ų | 171 | 54.1 Ų | 54.1 | 91% | 0.914 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -7.9 | -175 | -55.6 | -26.8 | 0 | 0 | 0 | 114 | ||
| 1311 | T | 88.5 | Confident | 92.8 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 63% | 0.632 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -4.3 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | N1309 | N1309-T1311 PolarHBondContact O-N 3.13Å; N1309-T1311 VanDerWaalsContact O-N 3.16Å; N1309-T1311 WeakPolarHBondContact OD1-CA 3.41Å; N1309-T1311 PolarHBondContact OD1-N 2.92Å; N1309-T1311 PolarHBondContact OD1-OG1 3.01Å |
| 1312 | D | 94.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -79.5 | 154.3 | 175.1 | -167.9 | 18.8 | 0 | 0 | 0 | 109.3 | S1278 K1279 E1280 L1307 K1308 N1309 | S1278-D1312 VanDerWaalsContact CB-OD1 3.3Å; S1278-D1312 WeakPolarHBondContact CB-OD1 3.44Å; S1278-D1312 PolarHBondContact OG-OD1 3.16Å; S1278-D1312 VanDerWaalsContact OG-OD1 3.08Å; S1278-D1312 PolarHBondContact OG-OD2 3.36Å; S1278-D1312 VanDerWaalsContact OG-OD2 3.06Å; K1279-D1312 PolarHBondContact N-OD1 2.75Å; E1280-D1312 HydrophobicContact CB-CB 4.31Å; E1280-D1312 WeakPolarHBondContact CB-OD1 3.37Å; E1280-D1312 HydrophobicContact CG-CB 3.67Å; E1280-D1312 VanDerWaalsContact CG-CG 3.44Å; E1280-D1312 WeakPolarHBondContact CG-OD1 3.33Å; E1280-D1312 PolarHBondContact N-OD1 3.46Å; L1307-D1312 HydrophobicContact CB-CB 4.17Å; L1307-D1312 VanDerWaalsContact CD1-O 3.29Å; L1307-D1312 WeakPolarHBondContact CD1-O 3.09Å; L1307-D1312 HydrophobicContact CD2-CB 4.41Å; K1308-D1312 PolarHBondContact N-OD2 3.48Å; K1308-D1312 VanDerWaalsContact N-OD2 3.15Å; N1309-D1312 WeakPolarHBondContact O-CB 3.24Å; N1309-D1312 PolarHBondContact O-N 3.44Å; N1309-D1312 PolarHBondContact OD1-N 2.68Å | ||
| 1313 | E | 94.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | trans | -155.9 | 155.2 | -179.2 | 64.9 | -164.7 | 153.3 | 0 | 0 | 109.7 | N1222 S1278 K1279 V1315 | N1222-E1313 HydrophobicContact CB-CB 4.36Å; N1222-E1313 CarbonylContact O-C 3.59Å; N1222-E1313 VanDerWaalsContact O-CA 3.3Å; N1222-E1313 WeakPolarHBondContact O-CA 3.34Å; S1278-E1313 CarbonylContact C-O 3.08Å; S1278-E1313 WeakPolarHBondContact CA-O 3.24Å; S1278-E1313 WeakPolarHBondContact CB-O 3.46Å; K1279-E1313 HydrophobicContact CB-CG 4Å; K1279-E1313 HydrophobicContact CD-CG 3.77Å; K1279-E1313 VanDerWaalsContact CD-OE1 3.23Å; K1279-E1313 WeakPolarHBondContact CD-OE1 3.4Å; K1279-E1313 PolarHBondContact N-O 3.27Å; K1279-E1313 IonicContact NZ-OE1 3.85Å; K1279-E1313 PolarHBondContact NZ-OE1 3.26Å; E1313-V1315 HydrophobicContact CG-CG1 4.33Å; E1313-V1315 PolarHBondContact O-N 2.94Å | ||
| 1314 | I | 95.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125 | 171.9 | -56.5 | -57.2 | 0 | 0 | 0 | 108.8 | L1220 N1222 I1260 F1276 M1277 M1305 L1307 | L1220-I1314 HydrophobicContact CD2-CG2 4.31Å; N1222-I1314 PolarHBondContact O-N 3.32Å; I1260-I1314 HydrophobicContact CD1-CB 3.65Å; I1260-I1314 HydrophobicContact CD1-CG2 3.34Å; F1276-I1314 HydrophobicContact CB-CD1 4.48Å; M1277-I1314 WeakPolarHBondContact O-CA 3.22Å; M1305-I1314 HydrophobicContact CB-CD1 3.91Å; M1305-I1314 HydrophobicContact CE-CD1 4.45Å; M1305-I1314 HydrophobicContact CG-CD1 4.01Å; M1305-I1314 HydrophobicContact SD-CD1 3.37Å; M1305-I1314 WeakPolarHBondContact SD-CD1 3.49Å; L1307-I1314 HydrophobicContact CD2-CD1 3.89Å; L1307-I1314 HydrophobicContact CD2-CG1 4.29Å |
| 1315 | V | 93.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 71.2 Ų | 71.2 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -22.4 | -178.7 | -65 | 0 | 0 | 0 | 0 | 112.5 | M1277 K1279 E1313 V1366 | M1277-V1315 HydrophobicContact CB-CG2 4.42Å; M1277-V1315 WeakPolarHBondContact O-CG2 3.5Å; M1277-V1315 PolarHBondContact O-N 3.46Å; K1279-V1315 HydrophobicContact CB-CG1 3.83Å; E1313-V1315 HydrophobicContact CG-CG1 4.33Å; E1313-V1315 PolarHBondContact O-N 2.94Å; V1315-V1366 HydrophobicContact CG2-CB 4.45Å; V1315-V1366 HydrophobicContact CG2-CG1 3.9Å |
| 1316 | S | 93.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 71.8 Ų | 71.8 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 140.8 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | M1277 A1368 G1369 | M1277-S1316 PolarHBondContact N-O 3.42Å; M1277-S1316 PolarHBondContact O-N 3.11Å; S1316-A1368 WeakPolarHBondContact OG-CA 3.4Å; S1316-G1369 PolarHBondContact OG-N 3.13Å; S1316-G1369 PolarHBondContact OG-O 3.3Å |
| 1317 | V | 95.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143 | 174 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | L1220 I1260 A1261 F1263 F1274 I1275 F1276 | L1220-V1317 HydrophobicContact CD2-CB 3.53Å; L1220-V1317 HydrophobicContact CD2-CG1 3.55Å; L1220-V1317 HydrophobicContact CD2-CG2 3.67Å; I1260-V1317 HydrophobicContact CD1-CG1 4.38Å; A1261-V1317 HydrophobicContact CB-CG1 3.46Å; A1261-V1317 VanDerWaalsContact CB-CG1 3.46Å; F1263-V1317 HydrophobicContact CE2-CG1 4.21Å; F1263-V1317 HydrophobicContact CE2-CG2 4.14Å; F1263-V1317 HydrophobicContact CZ-CG1 3.93Å; F1263-V1317 HydrophobicContact CZ-CG2 3.91Å; F1274-V1317 HydrophobicContact CD1-CG2 3.97Å; I1275-V1317 VanDerWaalsContact O-CA 3.25Å; I1275-V1317 WeakPolarHBondContact O-CA 3.45Å; F1276-V1317 HydrophobicContact CD1-CB 4.24Å; F1276-V1317 HydrophobicContact CD1-CG2 3.74Å; F1276-V1317 HydrophobicContact CE1-CG2 3.73Å |
| 1318 | F | 94.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.4 | 173.5 | -54 | -81.1 | 0 | 0 | 0 | 110.2 | F1274 I1275 M1277 G1369 L1371 | F1274-F1318 CarbonylContact C-O 3.52Å; F1274-F1318 VanDerWaalsContact CA-O 3.28Å; F1274-F1318 WeakPolarHBondContact CA-O 3.18Å; I1275-F1318 HydrophobicContact CB-CB 4.37Å; I1275-F1318 HydrophobicContact CD1-CB 4.46Å; I1275-F1318 PolarHBondContact N-O 3.18Å; I1275-F1318 PolarHBondContact O-N 2.86Å; M1277-F1318 HydrophobicContact CE-CD2 4.15Å; M1277-F1318 HydrophobicContact CE-CE2 3.9Å; F1318-G1369 VanDerWaalsContact CZ-O 3.31Å; F1318-G1369 WeakPolarHBondContact CZ-O 3.37Å; F1318-L1371 HydrophobicContact CB-CD1 3.59Å; F1318-L1371 HydrophobicContact CB-CG 4.23Å; F1318-L1371 HydrophobicContact CD1-CG 4.46Å; F1318-L1371 HydrophobicContact CD2-CD1 4.11Å; F1318-L1371 HydrophobicContact CD2-CG 3.81Å; F1318-L1371 HydrophobicContact CE2-CG 4.35Å; F1318-L1371 HydrophobicContact CG-CD1 3.81Å; F1318-L1371 HydrophobicContact CG-CG 3.88Å |
| 1319 | L | 94.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116 | 169.6 | -178.5 | 64.2 | 0 | 0 | 0 | 108 | F1263 K1272 L1273 F1274 | F1263-L1319 HydrophobicContact CB-CD2 4.2Å; F1263-L1319 HydrophobicContact CD1-CB 3.73Å; F1263-L1319 HydrophobicContact CD1-CD2 3.96Å; F1263-L1319 HydrophobicContact CE1-CB 3.71Å; F1263-L1319 HydrophobicContact CG-CD2 4.27Å; K1272-L1319 HydrophobicContact CB-CD1 3.79Å; K1272-L1319 HydrophobicContact CB-CG 4.34Å; K1272-L1319 HydrophobicContact CD-CD2 4.17Å; K1272-L1319 HydrophobicContact CD-CG 4.22Å; L1273-L1319 WeakPolarHBondContact O-CA 3.44Å; F1274-L1319 HydrophobicContact CD1-CB 4.22Å; F1274-L1319 HydrophobicContact CD1-CD1 3.97Å; F1274-L1319 HydrophobicContact CD2-CD1 3.91Å; F1274-L1319 HydrophobicContact CE1-CB 4.02Å; F1274-L1319 HydrophobicContact CE1-CD1 3.88Å; F1274-L1319 HydrophobicContact CE1-CD2 4.34Å; F1274-L1319 HydrophobicContact CE1-CG 4.31Å; F1274-L1319 HydrophobicContact CE2-CD1 3.85Å; F1274-L1319 HydrophobicContact CG-CD1 3.98Å; F1274-L1319 HydrophobicContact CZ-CD1 3.84Å; F1274-L1319 HydrophobicContact CZ-CD2 4.19Å; F1274-L1319 HydrophobicContact CZ-CG 4.45Å |
| 1320 | T | 92.1 | Very high | 91.4 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.8 | -175.5 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | K1272 L1273 I1275 E1322 L1371 | K1272-T1320 WeakPolarHBondContact CA-O 3.23Å; L1273-T1320 PolarHBondContact N-O 3.01Å; L1273-T1320 PolarHBondContact O-N 2.95Å; I1275-T1320 HydrophobicContact CD1-CG2 3.39Å; T1320-E1322 WeakPolarHBondContact CG2-O 3.45Å; T1320-E1322 PolarHBondContact OG1-N 3.41Å; T1320-E1322 PolarHBondContact OG1-O 2.88Å; T1320-L1371 HydrophobicContact CG2-CD1 4.3Å |
| 1321 | N | 87.9 | Confident | 91.9 | Very high | 106 Ų | 106 | 47 Ų | 47 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -97.2 | -13.6 | 163.5 | 56.9 | -16.6 | 0 | 0 | 0 | 111.7 | ||
| 1322 | E | 81.5 | Confident | 92.2 | Very high | 127 Ų | 127 | 42.1 Ų | 42.1 | 59% | 0.593 | 21% | 0.207 | S | C | * | . | trans | -94.3 | 112.2 | -177.5 | -66.5 | -178.9 | -174.5 | 0 | 0 | 110.9 | T1320 V1326 | T1320-E1322 WeakPolarHBondContact CG2-O 3.45Å; T1320-E1322 PolarHBondContact OG1-N 3.41Å; T1320-E1322 PolarHBondContact OG1-O 2.88Å; E1322-V1326 HydrophobicContact CB-CG2 4.38Å | ||
| 1323 | T | 79.9 | Confident | 92.3 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | trans | -116.1 | -9.3 | 177.4 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | L1273 L1342 | L1273-T1323 HydrophobicContact CD1-CG2 3.56Å; T1323-L1342 HydrophobicContact CG2-CD2 4.33Å | ||
| 1324 | R | 84.5 | Confident | 92.2 | Very high | 207 Ų | 207 | 45 Ų | 45 | 78% | 0.781 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -99.9 | 139.7 | -178.6 | -67.7 | -174.2 | -178.7 | -179.7 | 1.3 | 110.6 | V1326 E1343 | R1324-V1326 PolarHBondContact O-N 2.67Å; R1324-E1343 WeakPolarHBondContact CA-OE1 3.28Å |
| 1325 | N | 87.9 | Confident | 92.1 | Very high | 115 Ų | 115 | 44.7 Ų | 44.7 | 62% | 0.615 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 56.2 | 32.3 | -177.7 | -58.6 | -20.8 | 0 | 0 | 0 | 112.8 | S1374 | N1325-S1374 WeakPolarHBondContact CA-OG 3.39Å; N1325-S1374 PolarHBondContact O-N 2.98Å; N1325-S1374 PolarHBondContact O-OG 3.11Å |
| 1326 | V | 93.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.085 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.1 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | E1322 R1324 L1342 L1371 V1372 S1374 | E1322-V1326 HydrophobicContact CB-CG2 4.38Å; R1324-V1326 PolarHBondContact O-N 2.67Å; V1326-L1342 HydrophobicContact CG1-CD2 4.3Å; V1326-L1342 VanDerWaalsContact O-CB 3.23Å; V1326-L1342 WeakPolarHBondContact O-CB 3.43Å; V1326-L1342 PolarHBondContact O-N 2.83Å; V1326-L1371 HydrophobicContact CG1-CB 3.87Å; V1326-L1371 HydrophobicContact CG1-CD2 4.26Å; V1326-L1371 HydrophobicContact CG1-CG 4.46Å; V1326-V1372 CarbonylContact C-O 3.43Å; V1326-S1374 PolarHBondContact N-OG 2.8Å |
| 1327 | D | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143.5 | 172.8 | -79.4 | 10.9 | 0 | 0 | 0 | 110.4 | R1339 Y1340 P1341 V1372 S1374 | D1327-R1339 HydrophobicContact CB-CG 3.87Å; D1327-R1339 IonicContact OD2-CZ 2.89Å; D1327-R1339 IonicContact OD2-NE 3.36Å; D1327-R1339 PolarHBondContact OD2-NE 3.34Å; D1327-R1339 IonicContact OD2-NH2 2.7Å; D1327-R1339 PolarHBondContact OD2-NH2 2.8Å; D1327-Y1340 CarbonylContact C-O 3.55Å; D1327-Y1340 WeakPolarHBondContact CA-O 3.47Å; D1327-P1341 WeakPolarHBondContact OD1-CA 2.99Å; D1327-V1372 HydrophobicContact CB-CG2 4.05Å; D1327-V1372 PolarHBondContact N-O 3.17Å; D1327-V1372 PolarHBondContact O-N 3.27Å; D1327-S1374 WeakPolarHBondContact OD1-CB 3.13Å; D1327-S1374 PolarHBondContact OD1-OG 3.2Å |
| 1328 | V | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.5 | 164.6 | 173 | 0 | 0 | 0 | 0 | 108.4 | M1277 I1283 I1330 R1339 Y1340 L1342 V1345 L1371 | M1277-V1328 HydrophobicContact CE-CG1 3.87Å; M1277-V1328 HydrophobicContact SD-CG1 4.29Å; I1283-V1328 HydrophobicContact CD1-CB 4.47Å; I1283-V1328 HydrophobicContact CD1-CG1 3.74Å; I1283-V1328 HydrophobicContact CD1-CG2 3.92Å; V1328-I1330 HydrophobicContact CG1-CD1 3.61Å; V1328-I1330 HydrophobicContact CG1-CG1 3.63Å; V1328-R1339 VanDerWaalsContact O-CA 3.3Å; V1328-R1339 WeakPolarHBondContact O-CA 3.45Å; V1328-Y1340 HydrophobicContact CB-CD2 4.25Å; V1328-Y1340 HydrophobicContact CB-CE1 4.3Å; V1328-Y1340 HydrophobicContact CB-CE2 3.83Å; V1328-Y1340 HydrophobicContact CG1-CE1 4.01Å; V1328-Y1340 HydrophobicContact CG1-CE2 4.09Å; V1328-Y1340 WeakPolarHBondContact CG1-OH 3.43Å; V1328-Y1340 HydrophobicContact CG2-CE2 4.18Å; V1328-Y1340 PolarHBondContact N-O 2.94Å; V1328-Y1340 PolarHBondContact O-N 2.59Å; V1328-Y1340 VanDerWaalsContact O-N 3.08Å; V1328-L1342 HydrophobicContact CG2-CB 4.08Å; V1328-L1342 HydrophobicContact CG2-CD1 3.59Å; V1328-L1342 HydrophobicContact CG2-CG 4.43Å; V1328-V1345 HydrophobicContact CG2-CG2 4.43Å; V1328-L1371 HydrophobicContact CG2-CD2 3.95Å |
| 1329 | F | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | 168.2 | -174 | -80.3 | 0 | 0 | 0 | 109.5 | A1331 L1338 R1339 G1369 A1370 V1372 I1380 M1392 A1394 L1397 M1423 | F1329-A1331 HydrophobicContact CE1-CB 4.14Å; F1329-L1338 WeakPolarHBondContact CA-O 3.37Å; F1329-R1339 HydrophobicContact CD2-CB 4.39Å; F1329-R1339 HydrophobicContact CD2-CG 4.4Å; F1329-G1369 CarbonylContact O-C 3.25Å; F1329-G1369 WeakPolarHBondContact O-CA 3.49Å; F1329-A1370 PolarHBondContact N-O 3.18Å; F1329-A1370 PolarHBondContact O-N 3.01Å; F1329-V1372 HydrophobicContact CB-CG1 4.5Å; F1329-V1372 HydrophobicContact CB-CG2 4.2Å; F1329-I1380 HydrophobicContact CB-CD1 4.04Å; F1329-I1380 HydrophobicContact CD1-CD1 3.37Å; F1329-I1380 HydrophobicContact CD2-CD1 3.54Å; F1329-I1380 HydrophobicContact CE1-CD1 3.54Å; F1329-I1380 HydrophobicContact CE1-CG2 4.29Å; F1329-I1380 HydrophobicContact CE2-CD1 3.67Å; F1329-I1380 HydrophobicContact CG-CD1 3.37Å; F1329-I1380 HydrophobicContact CZ-CD1 3.68Å; F1329-M1392 HydrophobicContact CE2-CE 4.32Å; F1329-M1392 HydrophobicContact CZ-CE 4.24Å; F1329-A1394 HydrophobicContact CD2-CB 3.78Å; F1329-A1394 HydrophobicContact CE2-CB 4.09Å; F1329-L1397 HydrophobicContact CD2-CD1 4.28Å; F1329-L1397 HydrophobicContact CE2-CD1 3.48Å; F1329-L1397 VanDerWaalsContact CE2-CD1 3.48Å; F1329-L1397 HydrophobicContact CE2-CG 4.33Å; F1329-L1397 HydrophobicContact CZ-CD1 3.89Å; F1329-M1423 HydrophobicContact CD1-CE 4.06Å; F1329-M1423 HydrophobicContact CD1-SD 3.72Å; F1329-M1423 HydrophobicContact CE1-CE 4.48Å; F1329-M1423 HydrophobicContact CE1-SD 3.53Å; F1329-M1423 VanDerWaalsContact CE1-SD 3.53Å |
| 1330 | I | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.9 | 179.4 | -68.3 | 172.2 | 0 | 0 | 0 | 109.4 | M1277 V1328 G1337 L1338 Y1340 A1357 I1358 V1366 | M1277-I1330 HydrophobicContact SD-CD1 4.06Å; M1277-I1330 HydrophobicContact SD-CG1 3.9Å; V1328-I1330 HydrophobicContact CG1-CD1 3.61Å; V1328-I1330 HydrophobicContact CG1-CG1 3.63Å; I1330-G1337 CarbonylContact O-C 3.59Å; I1330-G1337 VanDerWaalsContact O-CA 3.29Å; I1330-G1337 WeakPolarHBondContact O-CA 3.23Å; I1330-L1338 PolarHBondContact N-O 3.23Å; I1330-L1338 PolarHBondContact O-N 3.27Å; I1330-Y1340 HydrophobicContact CD1-CE1 4.15Å; I1330-Y1340 WeakPolarHBondContact CD1-OH 3.19Å; I1330-A1357 HydrophobicContact CD1-CB 3.43Å; I1330-A1357 VanDerWaalsContact CD1-CB 3.43Å; I1330-I1358 HydrophobicContact CG2-CB 4.34Å; I1330-I1358 HydrophobicContact CG2-CD1 4.29Å; I1330-I1358 HydrophobicContact CG2-CG2 3.99Å; I1330-V1366 HydrophobicContact CG2-CB 4.4Å; I1330-V1366 HydrophobicContact CG2-CG1 3.65Å; I1330-V1366 HydrophobicContact CG2-CG2 3.81Å |
| 1331 | A | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1329 F1336 V1367 A1368 L1382 I1409 L1420 M1423 | F1329-A1331 HydrophobicContact CE1-CB 4.14Å; A1331-F1336 CarbonylContact C-O 3.56Å; A1331-F1336 WeakPolarHBondContact CA-O 3.4Å; A1331-V1367 PolarHBondContact O-N 3.32Å; A1331-A1368 PolarHBondContact N-O 3.05Å; A1331-A1368 VanDerWaalsContact N-O 3.08Å; A1331-L1382 HydrophobicContact CB-CD2 4.46Å; A1331-I1409 HydrophobicContact CB-CD1 3.86Å; A1331-L1420 HydrophobicContact CB-CD2 3.32Å; A1331-M1423 HydrophobicContact CB-SD 3.55Å; A1331-M1423 VanDerWaalsContact CB-SD 3.55Å |
| 1332 | S | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 161 | 179.6 | 85.2 | 0 | 0 | 0 | 0 | 113.1 | R1334 A1335 F1336 D1364 Y1365 L1420 | S1332-R1334 VanDerWaalsContact C-N 3.3Å; S1332-R1334 PolarHBondContact O-N 2.93Å; S1332-A1335 WeakPolarHBondContact O-CA 3.37Å; S1332-A1335 PolarHBondContact O-N 2.78Å; S1332-F1336 PolarHBondContact N-O 3.2Å; S1332-F1336 PolarHBondContact OG-N 3.19Å; S1332-D1364 WeakPolarHBondContact CB-OD1 3.37Å; S1332-D1364 WeakPolarHBondContact CB-OD2 3.23Å; S1332-D1364 PolarHBondContact OG-OD1 3.44Å; S1332-D1364 PolarHBondContact OG-OD2 3.25Å; S1332-Y1365 CarbonylContact C-O 3.58Å; S1332-Y1365 WeakPolarHBondContact CA-O 3.5Å; S1332-Y1365 WeakPolarHBondContact CB-O 3.34Å; S1332-L1420 WeakPolarHBondContact O-CB 3.38Å |
| 1333 | H | 95.4 | Very high | 93.4 | Very high | 42 Ų | 42 | 31.9 Ų | 31.9 | 19% | 0.194 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -37.2 | 178.4 | 178.7 | 66.1 | 0 | 0 | 0 | 112.5 | A1335 D1364 Y1365 V1367 R1419 L1420 | H1333-A1335 PolarHBondContact O-N 3.25Å; H1333-D1364 PolarHBondContact N-OD1 3.44Å; H1333-Y1365 HydrophobicContact CB-CD1 3.88Å; H1333-Y1365 HydrophobicContact CB-CD2 4.09Å; H1333-Y1365 HydrophobicContact CB-CE1 3.61Å; H1333-Y1365 HydrophobicContact CB-CE2 3.84Å; H1333-Y1365 HydrophobicContact CB-CG 4.12Å; H1333-Y1365 AromaticContact CD2-CE1 3.62Å; H1333-Y1365 AromaticContact CD2-CZ 3.99Å; H1333-Y1365 PolarHBondContact CE1-OH 3.29Å; H1333-Y1365 AromaticContact CG-CE1 3.5Å; H1333-Y1365 AromaticContact CG-CZ 3.47Å; H1333-Y1365 VanDerWaalsContact CG-CZ 3.47Å; H1333-Y1365 PolarHBondContact N-O 3.32Å; H1333-Y1365 AromaticContact ND1-CZ 3.67Å; H1333-Y1365 PolarHBondContact ND1-OH 2.9Å; H1333-V1367 HydrophobicContact CB-CG2 3.98Å; H1333-R1419 WeakPolarHBondContact CE1-CB 3.26Å; H1333-R1419 CarbonylContact O-C 3.6Å; H1333-R1419 WeakPolarHBondContact O-CA 3.29Å; H1333-R1419 WeakPolarHBondContact O-CB 3.17Å; H1333-R1419 WeakPolarHBondContact O-CD 3.41Å; H1333-L1420 PolarHBondContact ND1-O 2.83Å; H1333-L1420 PolarHBondContact O-N 3.4Å |
| 1334 | R | 93.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 31% | 0.306 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 18.4 | 171.1 | -65.1 | -169.8 | 179.3 | -164.1 | 6.1 | 114 | S1332 F1336 D1362 D1364 M1408 | S1332-R1334 VanDerWaalsContact C-N 3.3Å; S1332-R1334 PolarHBondContact O-N 2.93Å; R1334-F1336 VanDerWaalsContact C-N 3.32Å; R1334-F1336 HydrophobicContact CB-CD2 4.07Å; R1334-F1336 HydrophobicContact CB-CE2 4.21Å; R1334-F1336 PolarHBondContact O-N 2.79Å; R1334-D1362 PolarHBondContact NH2-O 3.31Å; R1334-D1364 HydrophobicContact CB-CB 4.48Å; R1334-D1364 HydrophobicContact CG-CB 4Å; R1334-D1364 PolarHBondContact N-OD1 2.86Å; R1334-M1408 WeakPolarHBondContact O-CE 3.06Å |
| 1335 | A | 92.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 59.8 | 38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1332 H1333 M1408 I1409 F1410 | S1332-A1335 WeakPolarHBondContact O-CA 3.37Å; S1332-A1335 PolarHBondContact O-N 2.78Å; H1333-A1335 PolarHBondContact O-N 3.25Å; A1335-M1408 HydrophobicContact CB-CE 4.07Å; A1335-M1408 CarbonylContact O-C 3.54Å; A1335-M1408 VanDerWaalsContact O-CA 3.28Å; A1335-M1408 WeakPolarHBondContact O-CA 3.4Å; A1335-I1409 HydrophobicContact CB-CG1 4.03Å; A1335-I1409 WeakPolarHBondContact O-CG1 3.05Å; A1335-I1409 PolarHBondContact O-N 2.74Å; A1335-F1410 HydrophobicContact CB-CB 3.84Å; A1335-F1410 HydrophobicContact CB-CD2 3.72Å; A1335-F1410 HydrophobicContact CB-CG 4.26Å |
| 1336 | F | 94.5 | Very high | 94.9 | Very high | 23 Ų | 23 | 20.6 Ų | 20.6 | 10% | 0.101 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126 | 163.5 | -72.4 | -89.3 | 0 | 0 | 0 | 109.4 | A1331 S1332 R1334 K1361 R1405 L1407 M1408 | A1331-F1336 CarbonylContact C-O 3.56Å; A1331-F1336 WeakPolarHBondContact CA-O 3.4Å; S1332-F1336 PolarHBondContact N-O 3.2Å; S1332-F1336 PolarHBondContact OG-N 3.19Å; R1334-F1336 VanDerWaalsContact C-N 3.32Å; R1334-F1336 HydrophobicContact CB-CD2 4.07Å; R1334-F1336 HydrophobicContact CB-CE2 4.21Å; R1334-F1336 PolarHBondContact O-N 2.79Å; F1336-K1361 HydrophobicContact CE2-CD 4.42Å; F1336-R1405 WeakPolarHBondContact CB-O 3.29Å; F1336-R1405 HydrophobicContact CD1-CG 4.03Å; F1336-R1405 HydrophobicContact CE1-CG 4.1Å; F1336-R1405 HydrophobicContact CG-CG 4.45Å; F1336-L1407 CarbonylContact C-O 3.5Å; F1336-L1407 WeakPolarHBondContact CA-O 3.27Å; F1336-M1408 HydrophobicContact CD1-CG 4.48Å; F1336-M1408 HydrophobicContact CD1-SD 4.05Å; F1336-M1408 HydrophobicContact CD2-SD 3.95Å; F1336-M1408 HydrophobicContact CE1-CG 4.03Å; F1336-M1408 HydrophobicContact CE1-SD 3.68Å; F1336-M1408 HydrophobicContact CE2-SD 3.56Å; F1336-M1408 VanDerWaalsContact CE2-SD 3.56Å; F1336-M1408 HydrophobicContact CG-SD 4.17Å; F1336-M1408 HydrophobicContact CZ-CG 4.23Å; F1336-M1408 HydrophobicContact CZ-SD 3.41Å; F1336-M1408 WeakPolarHBondContact CZ-SD 3.28Å |
| 1337 | G | 94.3 | Very high | 95 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1330 L1397 G1406 L1407 | I1330-G1337 CarbonylContact O-C 3.59Å; I1330-G1337 VanDerWaalsContact O-CA 3.29Å; I1330-G1337 WeakPolarHBondContact O-CA 3.23Å; G1337-L1397 VanDerWaalsContact C-CD1 3.4Å; G1337-L1397 WeakPolarHBondContact O-CD1 3.41Å; G1337-G1406 CarbonylContact O-C 3.56Å; G1337-G1406 WeakPolarHBondContact O-CA 3.34Å; G1337-L1407 PolarHBondContact N-O 3.09Å; G1337-L1407 PolarHBondContact O-N 3.49Å |
| 1338 | L | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.7 | 175.3 | 179.4 | 67.4 | 0 | 0 | 0 | 109.3 | F1329 I1330 Y1340 I1358 L1400 K1404 | F1329-L1338 WeakPolarHBondContact CA-O 3.37Å; I1330-L1338 PolarHBondContact N-O 3.23Å; I1330-L1338 PolarHBondContact O-N 3.27Å; L1338-Y1340 HydrophobicContact CD2-CD1 3.73Å; L1338-Y1340 HydrophobicContact CD2-CE1 3.76Å; L1338-Y1340 HydrophobicContact CG-CD1 3.8Å; L1338-Y1340 HydrophobicContact CG-CE1 4.16Å; L1338-I1358 HydrophobicContact CB-CD1 3.86Å; L1338-I1358 HydrophobicContact CB-CG1 4.19Å; L1338-I1358 HydrophobicContact CD2-CB 4.12Å; L1338-I1358 HydrophobicContact CD2-CG1 4Å; L1338-L1400 HydrophobicContact CD1-CB 3.84Å; L1338-L1400 HydrophobicContact CD1-CD1 3.94Å; L1338-L1400 HydrophobicContact CD1-CG 4.45Å; L1338-K1404 HydrophobicContact CD1-CB 3.94Å; L1338-K1404 HydrophobicContact CD2-CB 4.46Å |
| 1339 | R | 96 | Very high | 95 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.9 | 175.5 | -161 | -170 | 92.1 | -178.9 | 17.7 | 110.1 | D1327 V1328 F1329 S1374 L1397 L1400 | D1327-R1339 HydrophobicContact CB-CG 3.87Å; D1327-R1339 IonicContact OD2-CZ 2.89Å; D1327-R1339 IonicContact OD2-NE 3.36Å; D1327-R1339 PolarHBondContact OD2-NE 3.34Å; D1327-R1339 IonicContact OD2-NH2 2.7Å; D1327-R1339 PolarHBondContact OD2-NH2 2.8Å; V1328-R1339 VanDerWaalsContact O-CA 3.3Å; V1328-R1339 WeakPolarHBondContact O-CA 3.45Å; F1329-R1339 HydrophobicContact CD2-CB 4.39Å; F1329-R1339 HydrophobicContact CD2-CG 4.4Å; R1339-S1374 PolarHBondContact NH2-O 2.66Å; R1339-L1397 HydrophobicContact CB-CB 4.26Å; R1339-L1397 PolarHBondContact NH1-O 3.25Å; R1339-L1400 PolarHBondContact O-N 3Å |
| 1340 | Y | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.9 | 177 | 57.9 | -88.7 | 0 | 0 | 0 | 110.9 | D1327 V1328 I1330 L1338 E1344 V1345 A1357 L1400 R1402 | D1327-Y1340 CarbonylContact C-O 3.55Å; D1327-Y1340 WeakPolarHBondContact CA-O 3.47Å; V1328-Y1340 HydrophobicContact CB-CD2 4.25Å; V1328-Y1340 HydrophobicContact CB-CE1 4.3Å; V1328-Y1340 HydrophobicContact CB-CE2 3.83Å; V1328-Y1340 HydrophobicContact CG1-CE1 4.01Å; V1328-Y1340 HydrophobicContact CG1-CE2 4.09Å; V1328-Y1340 WeakPolarHBondContact CG1-OH 3.43Å; V1328-Y1340 HydrophobicContact CG2-CE2 4.18Å; V1328-Y1340 PolarHBondContact N-O 2.94Å; V1328-Y1340 PolarHBondContact O-N 2.59Å; V1328-Y1340 VanDerWaalsContact O-N 3.08Å; I1330-Y1340 HydrophobicContact CD1-CE1 4.15Å; I1330-Y1340 WeakPolarHBondContact CD1-OH 3.19Å; L1338-Y1340 HydrophobicContact CD2-CD1 3.73Å; L1338-Y1340 HydrophobicContact CD2-CE1 3.76Å; L1338-Y1340 HydrophobicContact CG-CD1 3.8Å; L1338-Y1340 HydrophobicContact CG-CE1 4.16Å; Y1340-E1344 HydrophobicContact CD2-CB 4.22Å; Y1340-V1345 HydrophobicContact CE2-CG2 3.9Å; Y1340-A1357 WeakPolarHBondContact CE1-O 3.36Å; Y1340-A1357 WeakPolarHBondContact OH-CA 3.38Å; Y1340-A1357 PolarHBondContact OH-O 3.41Å; Y1340-L1400 WeakPolarHBondContact CB-O 3.26Å; Y1340-R1402 HydrophobicContact CD1-CB 4.46Å; Y1340-R1402 HydrophobicContact CD2-CB 3.77Å; Y1340-R1402 HydrophobicContact CD2-CG 4.19Å; Y1340-R1402 HydrophobicContact CE1-CG 4.37Å; Y1340-R1402 HydrophobicContact CE2-CB 3.84Å; Y1340-R1402 HydrophobicContact CE2-CG 3.71Å; Y1340-R1402 HydrophobicContact CG-CB 4.1Å |
| 1341 | P | 95 | Very high | 94.5 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 140.3 | -179.4 | -24.5 | 36.8 | 0 | 0 | 0 | 113.6 | D1327 E1343 E1344 Q1399 | D1327-P1341 WeakPolarHBondContact OD1-CA 2.99Å; P1341-E1343 WeakPolarHBondContact CB-OE2 3.45Å; P1341-E1343 PolarHBondContact O-N 3.19Å; P1341-E1344 WeakPolarHBondContact O-CB 3.33Å; P1341-E1344 PolarHBondContact O-N 3.32Å; P1341-E1344 VanDerWaalsContact O-N 3.1Å; P1341-Q1399 HydrophobicContact CG-CG 4.17Å |
| 1342 | L | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -60.9 | -27.3 | 176 | 180 | 59 | 0 | 0 | 0 | 112 | I1275 Q1285 T1323 V1326 V1328 E1344 V1345 L1371 | I1275-L1342 HydrophobicContact CD1-CD2 4.49Å; I1275-L1342 HydrophobicContact CG1-CD1 4.01Å; I1275-L1342 HydrophobicContact CG1-CD2 4.29Å; I1275-L1342 HydrophobicContact CG2-CD1 4.39Å; Q1285-L1342 HydrophobicContact CG-CD1 4.18Å; Q1285-L1342 PolarHBondContact NE2-O 2.85Å; Q1285-L1342 VanDerWaalsContact NE2-O 3.1Å; T1323-L1342 HydrophobicContact CG2-CD2 4.33Å; V1326-L1342 HydrophobicContact CG1-CD2 4.3Å; V1326-L1342 VanDerWaalsContact O-CB 3.23Å; V1326-L1342 WeakPolarHBondContact O-CB 3.43Å; V1326-L1342 PolarHBondContact O-N 2.83Å; V1328-L1342 HydrophobicContact CG2-CB 4.08Å; V1328-L1342 HydrophobicContact CG2-CD1 3.59Å; V1328-L1342 HydrophobicContact CG2-CG 4.43Å; L1342-E1344 PolarHBondContact O-N 2.74Å; L1342-E1344 VanDerWaalsContact O-N 3.12Å; L1342-V1345 HydrophobicContact CD1-CB 4.3Å; L1342-V1345 HydrophobicContact CD1-CG2 4.24Å; L1342-V1345 WeakPolarHBondContact O-CB 3.26Å; L1342-V1345 PolarHBondContact O-N 2.88Å; L1342-L1371 HydrophobicContact CD1-CD2 4.32Å; L1342-L1371 HydrophobicContact CD2-CD2 4.31Å |
| 1343 | E | 92.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 38 Ų | 38 | 49% | 0.486 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -61.8 | -19 | 176.4 | -59.6 | 92.6 | 158.2 | 0 | 0 | 113.5 | R1324 P1341 V1345 | R1324-E1343 WeakPolarHBondContact CA-OE1 3.28Å; P1341-E1343 WeakPolarHBondContact CB-OE2 3.45Å; P1341-E1343 PolarHBondContact O-N 3.19Å; E1343-V1345 PolarHBondContact O-N 3.12Å |
| 1344 | E | 94 | Very high | 94.2 | Very high | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -72.7 | -11.9 | 172.9 | -66.8 | -165.2 | -147.2 | 0 | 0 | 113.5 | Y1340 P1341 L1342 R1402 | Y1340-E1344 HydrophobicContact CD2-CB 4.22Å; P1341-E1344 WeakPolarHBondContact O-CB 3.33Å; P1341-E1344 PolarHBondContact O-N 3.32Å; P1341-E1344 VanDerWaalsContact O-N 3.1Å; L1342-E1344 PolarHBondContact O-N 2.74Å; L1342-E1344 VanDerWaalsContact O-N 3.12Å; E1344-R1402 HydrophobicContact CB-CB 4.12Å; E1344-R1402 PolarHBondContact O-NE 3.1Å; E1344-R1402 PolarHBondContact O-NH2 3Å; E1344-R1402 WeakPolarHBondContact OE2-CB 3.43Å; E1344-R1402 PolarHBondContact OE2-N 2.73Å |
| 1345 | V | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -96.6 | 120.5 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | I1283 Q1285 V1328 Y1340 L1342 E1343 V1355 | I1283-V1345 HydrophobicContact CD1-CG2 3.82Å; I1283-V1345 HydrophobicContact CG1-CG1 3.95Å; I1283-V1345 HydrophobicContact CG1-CG2 4.11Å; I1283-V1345 HydrophobicContact CG2-CG1 4.1Å; I1283-V1345 HydrophobicContact CG2-CG2 3.93Å; Q1285-V1345 HydrophobicContact CG-CB 4.11Å; Q1285-V1345 HydrophobicContact CG-CG1 3.8Å; Q1285-V1345 PolarHBondContact NE2-O 2.8Å; V1328-V1345 HydrophobicContact CG2-CG2 4.43Å; Y1340-V1345 HydrophobicContact CE2-CG2 3.9Å; L1342-V1345 HydrophobicContact CD1-CB 4.3Å; L1342-V1345 HydrophobicContact CD1-CG2 4.24Å; L1342-V1345 WeakPolarHBondContact O-CB 3.26Å; L1342-V1345 PolarHBondContact O-N 2.88Å; E1343-V1345 PolarHBondContact O-N 3.12Å; V1345-V1355 HydrophobicContact CG1-CG2 4.46Å |
| 1346 | P | 94.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -74.2 | 150.7 | -179.9 | 30.7 | -34.4 | 0 | 0 | 0 | 112.5 | Q1285 V1348 V1355 | Q1285-P1346 PolarHBondContact N-O 2.81Å; P1346-V1348 HydrophobicContact CB-CG1 4.23Å; P1346-V1348 HydrophobicContact CG-CG1 4.2Å; P1346-V1355 HydrophobicContact CG-CG1 3.67Å; P1346-V1355 HydrophobicContact CG-CG2 4.33Å |
| 1347 | V | 94.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -78.6 | 119.9 | 164.6 | -173.3 | 0 | 0 | 0 | 0 | 109 | L1273 Q1285 R1287 | L1273-V1347 HydrophobicContact CD1-CG2 4.34Å; L1273-V1347 HydrophobicContact CD2-CG1 3.76Å; L1273-V1347 HydrophobicContact CD2-CG2 3.96Å; Q1285-V1347 HydrophobicContact CB-CB 4.36Å; Q1285-V1347 HydrophobicContact CB-CG2 3.91Å; Q1285-V1347 CarbonylContact O-C 3.56Å; Q1285-V1347 WeakPolarHBondContact O-CA 3.4Å; R1287-V1347 HydrophobicContact CG-CG1 4.06Å |
| 1348 | V | 96 | Very high | 94.5 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | trans | -135.7 | 161.3 | -178.1 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | K1284 Q1285 T1286 P1346 A1352 | K1284-V1348 HydrophobicContact CB-CG2 3.71Å; K1284-V1348 HydrophobicContact CD-CG2 3.94Å; K1284-V1348 HydrophobicContact CG-CG2 4.36Å; Q1285-V1348 PolarHBondContact O-N 2.9Å; Q1285-V1348 VanDerWaalsContact O-O 3.08Å; T1286-V1348 WeakPolarHBondContact CA-O 3.34Å; T1286-V1348 WeakPolarHBondContact CB-O 3.47Å; T1286-V1348 PolarHBondContact OG1-O 2.85Å; P1346-V1348 HydrophobicContact CB-CG1 4.23Å; P1346-V1348 HydrophobicContact CG-CG1 4.2Å; V1348-A1352 HydrophobicContact CB-CB 3.92Å; V1348-A1352 HydrophobicContact CG2-CB 3.65Å | ||
| 1349 | G | 92.9 | Very high | 94.5 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | trans | -65.1 | 166.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1284 K1351 A1352 | K1284-G1349 PolarHBondContact NZ-O 3.23Å; K1284-G1349 VanDerWaalsContact NZ-O 3.12Å; G1349-K1351 VanDerWaalsContact C-N 3.29Å; G1349-K1351 PolarHBondContact O-N 2.7Å; G1349-A1352 WeakPolarHBondContact O-CB 3.44Å; G1349-A1352 PolarHBondContact O-N 3.35Å; G1349-A1352 VanDerWaalsContact O-N 3.16Å | ||
| 1350 | S | 91.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36 | -177.9 | 57.4 | 0 | 0 | 0 | 0 | 114 | K1284 E1290 T1303 A1304 A1352 | K1284-S1350 PolarHBondContact NZ-O 3.33Å; E1290-S1350 PolarHBondContact OE2-N 3.34Å; T1303-S1350 CarbonylContact O-C 3.48Å; T1303-S1350 VanDerWaalsContact O-CB 3.28Å; T1303-S1350 WeakPolarHBondContact O-CB 3.09Å; A1304-S1350 CarbonylContact C-O 3.55Å; S1350-A1352 PolarHBondContact O-N 3.29Å |
| 1351 | K | 91.9 | Very high | 94.1 | Very high | 157 Ų | 157 | 45.5 Ų | 45.5 | 68% | 0.683 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.8 | -179.1 | -61.6 | -175.2 | -179 | 179.6 | 0 | 115.7 | K1306 G1349 | K1306-K1351 WeakPolarHBondContact CB-O 3.36Å; G1349-K1351 VanDerWaalsContact C-N 3.29Å; G1349-K1351 PolarHBondContact O-N 2.7Å |
| 1352 | A | 94 | Very high | 93.8 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -76.6 | 146.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1284 K1306 V1348 G1349 S1350 | K1284-A1352 WeakPolarHBondContact CD-O 3.46Å; K1284-A1352 PolarHBondContact NZ-O 3.27Å; K1306-A1352 PolarHBondContact N-O 2.75Å; V1348-A1352 HydrophobicContact CB-CB 3.92Å; V1348-A1352 HydrophobicContact CG2-CB 3.65Å; G1349-A1352 WeakPolarHBondContact O-CB 3.44Å; G1349-A1352 PolarHBondContact O-N 3.35Å; G1349-A1352 VanDerWaalsContact O-N 3.16Å; S1350-A1352 PolarHBondContact O-N 3.29Å | ||
| 1353 | A | 92.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | trans | -79.2 | -7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1282 M1305 K1306 | M1282-A1353 WeakPolarHBondContact CB-O 3.48Å; M1305-A1353 WeakPolarHBondContact CE-O 3.09Å; K1306-A1353 HydrophobicContact CB-CB 4.32Å; K1306-A1353 WeakPolarHBondContact O-CA 3.31Å; K1306-A1353 WeakPolarHBondContact O-CB 3.42Å | ||
| 1354 | G | 94 | Very high | 93.5 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | 80 | -161.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1282 I1283 | M1282-G1354 WeakPolarHBondContact CE-O 3.44Å; I1283-G1354 CarbonylContact O-C 3.58Å; I1283-G1354 WeakPolarHBondContact O-CA 3.33Å | ||
| 1355 | V | 95.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 22% | 0.218 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 158.7 | -178.9 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | M1282 I1283 V1345 P1346 A1357 R1402 | M1282-V1355 CarbonylContact C-O 3.59Å; M1282-V1355 WeakPolarHBondContact CA-O 3.39Å; I1283-V1355 HydrophobicContact CG2-CG2 4.01Å; I1283-V1355 PolarHBondContact N-O 2.75Å; I1283-V1355 PolarHBondContact O-N 2.77Å; V1345-V1355 HydrophobicContact CG1-CG2 4.46Å; P1346-V1355 HydrophobicContact CG-CG1 3.67Å; P1346-V1355 HydrophobicContact CG-CG2 4.33Å; V1355-A1357 PolarHBondContact O-N 2.85Å; V1355-R1402 VanDerWaalsContact CG2-CZ 3.46Å |
| 1356 | K | 95.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 51 Ų | 51 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 121.6 | 175.7 | -178.4 | 177 | -89 | -170.4 | 0 | 110 | I1358 N1359 R1402 A1403 | K1356-I1358 WeakPolarHBondContact CG-O 3.25Å; K1356-N1359 PolarHBondContact NZ-OD1 2.82Å; K1356-R1402 WeakPolarHBondContact O-CD 3.47Å; K1356-R1402 VanDerWaalsContact O-CG 3.23Å; K1356-R1402 WeakPolarHBondContact O-CG 3.02Å; K1356-R1402 PolarHBondContact O-NH1 3.06Å; K1356-A1403 HydrophobicContact CB-CB 4.17Å; K1356-A1403 HydrophobicContact CD-CB 3.99Å; K1356-A1403 HydrophobicContact CG-CB 3.92Å |
| 1357 | A | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | trans | -83.3 | -48.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1281 I1283 I1330 Y1340 V1355 A1403 | G1281-A1357 VanDerWaalsContact O-CB 3.31Å; G1281-A1357 WeakPolarHBondContact O-CB 3.3Å; G1281-A1357 PolarHBondContact O-N 3.12Å; I1283-A1357 HydrophobicContact CB-CB 3.63Å; I1283-A1357 HydrophobicContact CG2-CB 3.37Å; I1330-A1357 HydrophobicContact CD1-CB 3.43Å; I1330-A1357 VanDerWaalsContact CD1-CB 3.43Å; Y1340-A1357 WeakPolarHBondContact CE1-O 3.36Å; Y1340-A1357 WeakPolarHBondContact OH-CA 3.38Å; Y1340-A1357 PolarHBondContact OH-O 3.41Å; V1355-A1357 PolarHBondContact O-N 2.85Å; A1357-A1403 PolarHBondContact O-N 2.72Å | ||
| 1358 | I | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -140.2 | 149.8 | -177.4 | -172.5 | 171.4 | 0 | 0 | 0 | 110.1 | I1330 L1338 K1356 L1360 V1366 K1404 | I1330-I1358 HydrophobicContact CG2-CB 4.34Å; I1330-I1358 HydrophobicContact CG2-CD1 4.29Å; I1330-I1358 HydrophobicContact CG2-CG2 3.99Å; L1338-I1358 HydrophobicContact CB-CD1 3.86Å; L1338-I1358 HydrophobicContact CB-CG1 4.19Å; L1338-I1358 HydrophobicContact CD2-CB 4.12Å; L1338-I1358 HydrophobicContact CD2-CG1 4Å; K1356-I1358 WeakPolarHBondContact CG-O 3.25Å; I1358-L1360 HydrophobicContact CG2-CD2 3.9Å; I1358-L1360 HydrophobicContact CG2-CG 4.05Å; I1358-L1360 PolarHBondContact O-N 2.8Å; I1358-V1366 HydrophobicContact CG2-CG2 3.54Å; I1358-K1404 WeakPolarHBondContact CG1-O 3.21Å |
| 1359 | N | 94.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | trans | -93 | 92 | 176.2 | -165.9 | 31.3 | 0 | 0 | 0 | 111.6 | K1356 A1403 K1404 | K1356-N1359 PolarHBondContact NZ-OD1 2.82Å; N1359-A1403 WeakPolarHBondContact CB-O 3.43Å; N1359-K1404 PolarHBondContact N-O 3.49Å | ||
| 1360 | L | 93.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 151.2 | -179.8 | -62 | 167.6 | 0 | 0 | 0 | 112.3 | I1358 D1364 V1366 | I1358-L1360 HydrophobicContact CG2-CD2 3.9Å; I1358-L1360 HydrophobicContact CG2-CG 4.05Å; I1358-L1360 PolarHBondContact O-N 2.8Å; L1360-D1364 HydrophobicContact CB-CB 4.34Å; L1360-D1364 HydrophobicContact CD2-CB 4.34Å; L1360-V1366 HydrophobicContact CD1-CG2 4.49Å; L1360-V1366 HydrophobicContact CD2-CG2 4.31Å |
| 1361 | K | 90.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 163.4 | 166.6 | -75.8 | -175.7 | 177.4 | 178.8 | 0 | 109.9 | F1336 G1363 D1364 | F1336-K1361 HydrophobicContact CE2-CD 4.42Å; K1361-G1363 PolarHBondContact O-N 3.02Å; K1361-D1364 HydrophobicContact CB-CB 4.23Å; K1361-D1364 VanDerWaalsContact O-CB 3.28Å; K1361-D1364 WeakPolarHBondContact O-CB 3.42Å; K1361-D1364 PolarHBondContact O-N 2.65Å |
| 1362 | D | 88.2 | Confident | 93.7 | Very high | 153 Ų | 153 | 37.7 Ų | 37.7 | 82% | 0.818 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 125 | 171.8 | -60.2 | -19.8 | 0 | 0 | 0 | 110.7 | R1334 | R1334-D1362 PolarHBondContact NH2-O 3.31Š|
| 1363 | G | 88 | Confident | 93.5 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 24.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1361 | K1361-G1363 PolarHBondContact O-N 3.02Š|
| 1364 | D | 94.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | trans | -113.1 | 153.5 | 169.2 | -164.7 | 17.3 | 0 | 0 | 0 | 109.8 | S1332 H1333 R1334 L1360 K1361 | S1332-D1364 WeakPolarHBondContact CB-OD1 3.37Å; S1332-D1364 WeakPolarHBondContact CB-OD2 3.23Å; S1332-D1364 PolarHBondContact OG-OD1 3.44Å; S1332-D1364 PolarHBondContact OG-OD2 3.25Å; H1333-D1364 PolarHBondContact N-OD1 3.44Å; R1334-D1364 HydrophobicContact CB-CB 4.48Å; R1334-D1364 HydrophobicContact CG-CB 4Å; R1334-D1364 PolarHBondContact N-OD1 2.86Å; L1360-D1364 HydrophobicContact CB-CB 4.34Å; L1360-D1364 HydrophobicContact CD2-CB 4.34Å; K1361-D1364 HydrophobicContact CB-CB 4.23Å; K1361-D1364 VanDerWaalsContact O-CB 3.28Å; K1361-D1364 WeakPolarHBondContact O-CB 3.42Å; K1361-D1364 PolarHBondContact O-N 2.65Å | ||
| 1365 | Y | 95.7 | Very high | 92.9 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | trans | -150.6 | 159.1 | -178 | 58.6 | -89.6 | 0 | 0 | 0 | 110.7 | K1279 S1332 H1333 V1367 | K1279-Y1365 HydrophobicContact CD-CD2 4.49Å; K1279-Y1365 HydrophobicContact CG-CD2 3.96Å; K1279-Y1365 HydrophobicContact CG-CG 4.18Å; S1332-Y1365 CarbonylContact C-O 3.58Å; S1332-Y1365 WeakPolarHBondContact CA-O 3.5Å; S1332-Y1365 WeakPolarHBondContact CB-O 3.34Å; H1333-Y1365 HydrophobicContact CB-CD1 3.88Å; H1333-Y1365 HydrophobicContact CB-CD2 4.09Å; H1333-Y1365 HydrophobicContact CB-CE1 3.61Å; H1333-Y1365 HydrophobicContact CB-CE2 3.84Å; H1333-Y1365 HydrophobicContact CB-CG 4.12Å; H1333-Y1365 AromaticContact CD2-CE1 3.62Å; H1333-Y1365 AromaticContact CD2-CZ 3.99Å; H1333-Y1365 PolarHBondContact CE1-OH 3.29Å; H1333-Y1365 AromaticContact CG-CE1 3.5Å; H1333-Y1365 AromaticContact CG-CZ 3.47Å; H1333-Y1365 VanDerWaalsContact CG-CZ 3.47Å; H1333-Y1365 PolarHBondContact N-O 3.32Å; H1333-Y1365 AromaticContact ND1-CZ 3.67Å; H1333-Y1365 PolarHBondContact ND1-OH 2.9Å; Y1365-V1367 HydrophobicContact CE2-CG2 4.23Å | ||
| 1366 | V | 96.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.1 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | K1279 V1315 I1330 I1358 L1360 | K1279-V1366 PolarHBondContact O-N 2.93Å; V1315-V1366 HydrophobicContact CG2-CB 4.45Å; V1315-V1366 HydrophobicContact CG2-CG1 3.9Å; I1330-V1366 HydrophobicContact CG2-CB 4.4Å; I1330-V1366 HydrophobicContact CG2-CG1 3.65Å; I1330-V1366 HydrophobicContact CG2-CG2 3.81Å; I1358-V1366 HydrophobicContact CG2-CG2 3.54Å; L1360-V1366 HydrophobicContact CD1-CG2 4.49Å; L1360-V1366 HydrophobicContact CD2-CG2 4.31Å |
| 1367 | V | 94.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -47.4 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | A1331 H1333 Y1365 L1420 A1421 | A1331-V1367 PolarHBondContact O-N 3.32Å; H1333-V1367 HydrophobicContact CB-CG2 3.98Å; Y1365-V1367 HydrophobicContact CE2-CG2 4.23Å; V1367-L1420 HydrophobicContact CB-CD2 3.9Å; V1367-L1420 HydrophobicContact CB-CG 4.24Å; V1367-L1420 HydrophobicContact CG1-CD2 4.2Å; V1367-L1420 HydrophobicContact CG1-CG 4.16Å; V1367-L1420 HydrophobicContact CG2-CB 4.12Å; V1367-L1420 HydrophobicContact CG2-CD2 4.14Å; V1367-L1420 HydrophobicContact CG2-CG 4.18Å; V1367-L1420 WeakPolarHBondContact CG2-O 3Å; V1367-A1421 WeakPolarHBondContact CG1-O 3.34Å |
| 1368 | A | 93.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1316 A1331 M1423 | S1316-A1368 WeakPolarHBondContact OG-CA 3.4Å; A1331-A1368 PolarHBondContact N-O 3.05Å; A1331-A1368 VanDerWaalsContact N-O 3.08Å; A1368-M1423 VanDerWaalsContact C-CE 3.46Å; A1368-M1423 HydrophobicContact CB-CB 4.15Å; A1368-M1423 HydrophobicContact CB-CE 3.83Å; A1368-M1423 WeakPolarHBondContact O-CE 3.24Å |
| 1369 | G | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 164 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1316 F1318 F1329 M1423 | S1316-G1369 PolarHBondContact OG-N 3.13Å; S1316-G1369 PolarHBondContact OG-O 3.3Å; F1318-G1369 VanDerWaalsContact CZ-O 3.31Å; F1318-G1369 WeakPolarHBondContact CZ-O 3.37Å; F1329-G1369 CarbonylContact O-C 3.25Å; F1329-G1369 WeakPolarHBondContact O-CA 3.49Å; G1369-M1423 VanDerWaalsContact C-CE 3.41Å |
| 1370 | A | 94 | Very high | 91.5 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1329 V1372 M1423 A1425 | F1329-A1370 PolarHBondContact N-O 3.18Å; F1329-A1370 PolarHBondContact O-N 3.01Å; A1370-V1372 HydrophobicContact CB-CG1 4.39Å; A1370-M1423 HydrophobicContact CB-CE 4.06Å; A1370-A1425 HydrophobicContact CB-CB 3.61Å |
| 1371 | L | 93.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.7 | 164.9 | -61.5 | -176.6 | 0 | 0 | 0 | 107.8 | I1275 M1277 F1318 T1320 V1326 V1328 L1342 | I1275-L1371 HydrophobicContact CD1-CD1 4.01Å; I1275-L1371 HydrophobicContact CG1-CD1 4.24Å; M1277-L1371 HydrophobicContact CE-CD2 4.19Å; F1318-L1371 HydrophobicContact CB-CD1 3.59Å; F1318-L1371 HydrophobicContact CB-CG 4.23Å; F1318-L1371 HydrophobicContact CD1-CG 4.46Å; F1318-L1371 HydrophobicContact CD2-CD1 4.11Å; F1318-L1371 HydrophobicContact CD2-CG 3.81Å; F1318-L1371 HydrophobicContact CE2-CG 4.35Å; F1318-L1371 HydrophobicContact CG-CD1 3.81Å; F1318-L1371 HydrophobicContact CG-CG 3.88Å; T1320-L1371 HydrophobicContact CG2-CD1 4.3Å; V1326-L1371 HydrophobicContact CG1-CB 3.87Å; V1326-L1371 HydrophobicContact CG1-CD2 4.26Å; V1326-L1371 HydrophobicContact CG1-CG 4.46Å; V1328-L1371 HydrophobicContact CG2-CD2 3.95Å; L1342-L1371 HydrophobicContact CD1-CD2 4.32Å; L1342-L1371 HydrophobicContact CD2-CD2 4.31Å |
| 1372 | V | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.2 | -179.9 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | V1326 D1327 F1329 A1370 S1374 I1380 A1394 | V1326-V1372 CarbonylContact C-O 3.43Å; D1327-V1372 HydrophobicContact CB-CG2 4.05Å; D1327-V1372 PolarHBondContact N-O 3.17Å; D1327-V1372 PolarHBondContact O-N 3.27Å; F1329-V1372 HydrophobicContact CB-CG1 4.5Å; F1329-V1372 HydrophobicContact CB-CG2 4.2Å; A1370-V1372 HydrophobicContact CB-CG1 4.39Å; V1372-S1374 PolarHBondContact O-N 3.28Å; V1372-I1380 HydrophobicContact CG1-CD1 4.21Å; V1372-A1394 HydrophobicContact CB-CB 4.39Å; V1372-A1394 HydrophobicContact CG1-CB 4.16Å; V1372-A1394 HydrophobicContact CG2-CB 4.03Å |
| 1373 | P | 90.3 | Very high | 92 | Very high | 73 Ų | 73 | 32 Ų | 32 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 136.1 | 168 | -28.2 | 35.4 | 0 | 0 | 0 | 111.7 | D1375 S1378 Q1395 | P1373-D1375 VanDerWaalsContact CB-O 3.28Å; P1373-D1375 WeakPolarHBondContact CB-O 3.21Å; P1373-D1375 PolarHBondContact O-N 3.08Å; P1373-S1378 WeakPolarHBondContact CD-OG 3.18Å; P1373-Q1395 PolarHBondContact O-NE2 3.1Å |
| 1374 | S | 87.7 | Confident | 92.2 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -59.6 | -33.7 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | N1325 V1326 D1327 R1339 V1372 | N1325-S1374 WeakPolarHBondContact CA-OG 3.39Å; N1325-S1374 PolarHBondContact O-N 2.98Å; N1325-S1374 PolarHBondContact O-OG 3.11Å; V1326-S1374 PolarHBondContact N-OG 2.8Å; D1327-S1374 WeakPolarHBondContact OD1-CB 3.13Å; D1327-S1374 PolarHBondContact OD1-OG 3.2Å; R1339-S1374 PolarHBondContact NH2-O 2.66Å; V1372-S1374 PolarHBondContact O-N 3.28Å |
| 1375 | D | 85.3 | Confident | 92.1 | Very high | 130 Ų | 130 | 29.3 Ų | 29.3 | 70% | 0.695 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -122.9 | 150.2 | 177.3 | -62.8 | -50.1 | 0 | 0 | 0 | 111 | P1373 | P1373-D1375 VanDerWaalsContact CB-O 3.28Å; P1373-D1375 WeakPolarHBondContact CB-O 3.21Å; P1373-D1375 PolarHBondContact O-N 3.08Å |
| 1376 | G | 83.3 | Confident | 92 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 49% | 0.485 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 105.1 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1395 | G1376-Q1395 WeakPolarHBondContact O-CG 3.44Å; G1376-Q1395 PolarHBondContact O-NE2 3.06Å; G1376-Q1395 VanDerWaalsContact O-NE2 3.07Å; G1376-Q1395 PolarHBondContact O-OE1 3.12Å |
| 1377 | D | 87.2 | Confident | 91.7 | Very high | 131 Ų | 131 | 27.2 Ų | 27.2 | 70% | 0.701 | 16% | 0.164 | S | C | * | . | trans | -90.8 | 108.1 | -179.3 | -74.5 | -6.9 | 0 | 0 | 0 | 110 | P1379 L1393 | D1377-P1379 VanDerWaalsContact O-CD 3.3Å; D1377-P1379 WeakPolarHBondContact O-CD 3.41Å; D1377-L1393 HydrophobicContact CB-CD1 4.27Å; D1377-L1393 HydrophobicContact CB-CD2 3.87Å | ||
| 1378 | S | 91.7 | Very high | 91.5 | Very high | 15 Ų | 15 | 26 Ų | 26 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | trans | -111.8 | 91 | 177.2 | -48 | 0 | 0 | 0 | 0 | 110 | P1373 I1380 A1394 Q1395 | P1373-S1378 WeakPolarHBondContact CD-OG 3.18Å; S1378-I1380 PolarHBondContact O-N 3.28Å; S1378-A1394 WeakPolarHBondContact O-CB 3.43Å; S1378-A1394 PolarHBondContact O-N 3.03Å; S1378-Q1395 PolarHBondContact OG-NE2 3.01Å | ||
| 1379 | P | 92.7 | Very high | 91.5 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.9 | -179.8 | 26 | -30.3 | 0 | 0 | 0 | 110.9 | D1377 R1391 M1392 L1393 T1427 I1450 | D1377-P1379 VanDerWaalsContact O-CD 3.3Å; D1377-P1379 WeakPolarHBondContact O-CD 3.41Å; P1379-R1391 HydrophobicContact CB-CG 4.3Å; P1379-M1392 WeakPolarHBondContact CA-O 3.38Å; P1379-L1393 HydrophobicContact CB-CD2 4.14Å; P1379-T1427 HydrophobicContact CG-CG2 3.85Å; P1379-I1450 HydrophobicContact CB-CD1 4.41Å |
| 1380 | I | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132 | 175 | -62.4 | -179.8 | 0 | 0 | 0 | 108 | F1329 V1372 S1378 L1382 R1391 M1392 A1394 M1423 A1425 | F1329-I1380 HydrophobicContact CB-CD1 4.04Å; F1329-I1380 HydrophobicContact CD1-CD1 3.37Å; F1329-I1380 HydrophobicContact CD2-CD1 3.54Å; F1329-I1380 HydrophobicContact CE1-CD1 3.54Å; F1329-I1380 HydrophobicContact CE1-CG2 4.29Å; F1329-I1380 HydrophobicContact CE2-CD1 3.67Å; F1329-I1380 HydrophobicContact CG-CD1 3.37Å; F1329-I1380 HydrophobicContact CZ-CD1 3.68Å; V1372-I1380 HydrophobicContact CG1-CD1 4.21Å; S1378-I1380 PolarHBondContact O-N 3.28Å; I1380-L1382 HydrophobicContact CG2-CD2 4.04Å; I1380-L1382 HydrophobicContact CG2-CG 4.27Å; I1380-R1391 WeakPolarHBondContact O-CA 3.46Å; I1380-M1392 PolarHBondContact N-O 3.24Å; I1380-M1392 PolarHBondContact O-N 3.25Å; I1380-A1394 HydrophobicContact CD1-CB 3.52Å; I1380-A1394 HydrophobicContact CG1-CB 4.09Å; I1380-M1423 HydrophobicContact CG2-CG 3.51Å; I1380-M1423 HydrophobicContact CG2-SD 3.93Å; I1380-A1425 HydrophobicContact CG1-CB 4.46Å |
| 1381 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.8 | 171.8 | -178.1 | 68.8 | 0 | 0 | 0 | 109.8 | R1391 M1423 T1424 L1431 I1443 I1445 V1448 | L1381-R1391 HydrophobicContact CD1-CB 4.17Å; L1381-M1423 VanDerWaalsContact O-CA 3.26Å; L1381-M1423 WeakPolarHBondContact O-CA 3.08Å; L1381-T1424 HydrophobicContact CB-CG2 4.05Å; L1381-T1424 HydrophobicContact CD2-CG2 4.41Å; L1381-T1424 PolarHBondContact N-O 3.06Å; L1381-T1424 PolarHBondContact O-N 2.81Å; L1381-L1431 HydrophobicContact CD2-CD1 3.49Å; L1381-L1431 VanDerWaalsContact CD2-CD1 3.49Å; L1381-I1443 HydrophobicContact CD2-CD1 4.17Å; L1381-I1445 HydrophobicContact CB-CG2 4.41Å; L1381-I1445 HydrophobicContact CD2-CB 4.4Å; L1381-I1445 HydrophobicContact CD2-CG1 3.92Å; L1381-I1445 HydrophobicContact CD2-CG2 4.2Å; L1381-V1448 HydrophobicContact CD1-CB 3.95Å; L1381-V1448 HydrophobicContact CD1-CG1 3.82Å; L1381-V1448 HydrophobicContact CD1-CG2 3.96Å |
| 1382 | L | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.9 | -179.2 | -59.6 | 166.5 | 0 | 0 | 0 | 108.9 | A1331 I1380 K1390 M1392 I1409 F1410 L1420 M1423 | A1331-L1382 HydrophobicContact CB-CD2 4.46Å; I1380-L1382 HydrophobicContact CG2-CD2 4.04Å; I1380-L1382 HydrophobicContact CG2-CG 4.27Å; L1382-K1390 HydrophobicContact CB-CB 4.33Å; L1382-K1390 HydrophobicContact CD1-CD 4.37Å; L1382-K1390 PolarHBondContact N-O 2.95Å; L1382-K1390 PolarHBondContact O-N 2.92Å; L1382-M1392 HydrophobicContact CD1-CG 3.87Å; L1382-M1392 HydrophobicContact CD1-SD 3.66Å; L1382-I1409 HydrophobicContact CD1-CB 4.04Å; L1382-I1409 HydrophobicContact CD1-CD1 3.69Å; L1382-I1409 HydrophobicContact CD1-CG1 3.92Å; L1382-I1409 HydrophobicContact CD2-CD1 3.86Å; L1382-I1409 HydrophobicContact CG-CD1 4.4Å; L1382-F1410 HydrophobicContact CB-CE2 4.13Å; L1382-F1410 HydrophobicContact CB-CZ 4.21Å; L1382-L1420 HydrophobicContact CB-CD1 3.82Å; L1382-L1420 HydrophobicContact CD2-CD1 3.75Å; L1382-L1420 HydrophobicContact CD2-CD2 4.27Å; L1382-L1420 HydrophobicContact CG-CD1 4.38Å; L1382-M1423 HydrophobicContact CD2-CB 3.93Å; L1382-M1423 HydrophobicContact CD2-CG 3.69Å; L1382-M1423 HydrophobicContact CD2-SD 3.96Å |
| 1383 | L | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | 175.2 | -68.4 | 164.7 | 0 | 0 | 0 | 109.6 | A1388 A1389 A1421 Y1422 L1431 L1433 I1443 L1469 V1472 | L1383-A1388 WeakPolarHBondContact CA-O 3.43Å; L1383-A1389 HydrophobicContact CD2-CB 3.48Å; L1383-A1389 VanDerWaalsContact CD2-CB 3.48Å; L1383-A1421 PolarHBondContact O-N 3.48Å; L1383-Y1422 HydrophobicContact CD1-CD1 3.82Å; L1383-Y1422 HydrophobicContact CD1-CG 4.36Å; L1383-Y1422 PolarHBondContact N-O 3.15Å; L1383-Y1422 PolarHBondContact O-N 3.49Å; L1383-L1431 HydrophobicContact CD1-CD1 4.27Å; L1383-L1433 HydrophobicContact CD1-CD2 3.48Å; L1383-L1433 VanDerWaalsContact CD1-CD2 3.48Å; L1383-L1433 HydrophobicContact CD2-CD2 4.21Å; L1383-L1433 HydrophobicContact CG-CD2 4.48Å; L1383-I1443 HydrophobicContact CD1-CD1 4.28Å; L1383-I1443 HydrophobicContact CD2-CD1 3.85Å; L1383-L1469 HydrophobicContact CB-CD2 3.88Å; L1383-L1469 HydrophobicContact CD1-CD2 4.5Å; L1383-V1472 HydrophobicContact CD1-CB 4.5Å; L1383-V1472 HydrophobicContact CD1-CG1 3.92Å; L1383-V1472 HydrophobicContact CD1-CG2 3.77Å |
| 1384 | S | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 157 | 172.6 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | R1386 G1387 A1388 H1418 R1419 | S1384-R1386 PolarHBondContact O-N 2.87Å; S1384-G1387 PolarHBondContact O-N 3.27Å; S1384-A1388 PolarHBondContact N-O 2.95Å; S1384-A1388 WeakPolarHBondContact OG-CB 3.49Å; S1384-A1388 PolarHBondContact OG-N 3.4Å; S1384-A1388 VanDerWaalsContact OG-N 3.17Å; S1384-A1388 PolarHBondContact OG-O 3.11Å; S1384-H1418 PolarHBondContact OG-ND1 3.43Å; S1384-R1419 CarbonylContact C-O 3.27Å; S1384-R1419 WeakPolarHBondContact CA-O 3.5Å; S1384-R1419 WeakPolarHBondContact CB-O 3.39Å |
| 1385 | Q | 92.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 24.1 Ų | 24.1 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.5 | 175 | 89.2 | -69.5 | 27.1 | 0 | 0 | 113 | G1387 P1417 R1419 A1421 E1468 L1469 | Q1385-G1387 PolarHBondContact O-N 3.18Å; Q1385-P1417 PolarHBondContact NE2-O 3.16Å; Q1385-R1419 VanDerWaalsContact CD-N 3.31Å; Q1385-R1419 HydrophobicContact CG-CB 4.31Å; Q1385-R1419 PolarHBondContact N-O 2.79Å; Q1385-R1419 PolarHBondContact OE1-O 3.05Å; Q1385-A1421 HydrophobicContact CB-CB 4.43Å; Q1385-E1468 WeakPolarHBondContact O-CA 3.26Å; Q1385-L1469 PolarHBondContact O-N 2.77Å |
| 1386 | R | 91.7 | Very high | 92 | Very high | 37 Ų | 37 | 22 Ų | 22 | 14% | 0.14 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 6.3 | 176.7 | -59.9 | 177.7 | 58 | -139.7 | -19.1 | 113.7 | S1384 A1388 L1413 N1416 H1418 F1459 E1463 | S1384-R1386 PolarHBondContact O-N 2.87Å; R1386-A1388 VanDerWaalsContact C-N 3.34Å; R1386-A1388 PolarHBondContact O-N 3.45Å; R1386-L1413 VanDerWaalsContact NH1-CD1 3.25Å; R1386-N1416 WeakPolarHBondContact CD-O 3.37Å; R1386-N1416 PolarHBondContact NH1-O 2.92Å; R1386-H1418 PolarHBondContact NH1-CE1 3.49Å; R1386-H1418 PolarHBondContact NH1-NE2 2.94Å; R1386-F1459 HydrophobicContact CB-CE1 4.11Å; R1386-F1459 WeakPolarHBondContact O-CD1 3.33Å; R1386-F1459 WeakPolarHBondContact O-CE1 3.28Å; R1386-E1463 WeakPolarHBondContact CB-OE2 3.38Å; R1386-E1463 VanDerWaalsContact CG-OE2 3.28Å; R1386-E1463 WeakPolarHBondContact CG-OE2 3.44Å; R1386-E1463 IonicContact CZ-OE2 3.1Å; R1386-E1463 IonicContact NE-OE2 2.77Å; R1386-E1463 PolarHBondContact NE-OE2 3.48Å; R1386-E1463 IonicContact NH2-OE2 2.71Å |
| 1387 | G | 90.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 80.8 | 7.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1384 Q1385 A1389 A1460 I1461 | S1384-G1387 PolarHBondContact O-N 3.27Å; Q1385-G1387 PolarHBondContact O-N 3.18Å; G1387-A1389 PolarHBondContact O-N 3.29Å; G1387-A1460 PolarHBondContact O-N 3.06Å; G1387-I1461 PolarHBondContact O-N 3.46Å |
| 1388 | A | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1383 S1384 R1386 F1410 N1456 F1459 | L1383-A1388 WeakPolarHBondContact CA-O 3.43Å; S1384-A1388 PolarHBondContact N-O 2.95Å; S1384-A1388 WeakPolarHBondContact OG-CB 3.49Å; S1384-A1388 PolarHBondContact OG-N 3.4Å; S1384-A1388 VanDerWaalsContact OG-N 3.17Å; S1384-A1388 PolarHBondContact OG-O 3.11Å; R1386-A1388 VanDerWaalsContact C-N 3.34Å; R1386-A1388 PolarHBondContact O-N 3.45Å; A1388-F1410 HydrophobicContact CB-CE1 4.46Å; A1388-N1456 VanDerWaalsContact CB-O 3.3Å; A1388-N1456 WeakPolarHBondContact CB-O 3.22Å; A1388-F1459 HydrophobicContact CB-CD1 4.1Å; A1388-F1459 HydrophobicContact CB-CE1 4.01Å; A1388-F1459 HydrophobicContact CB-CG 4.49Å; A1388-F1459 HydrophobicContact CB-CZ 4.32Å |
| 1389 | A | 92.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1383 G1387 I1443 V1448 G1457 T1458 A1460 | L1383-A1389 HydrophobicContact CD2-CB 3.48Å; L1383-A1389 VanDerWaalsContact CD2-CB 3.48Å; G1387-A1389 PolarHBondContact O-N 3.29Å; A1389-I1443 HydrophobicContact CB-CD1 4.44Å; A1389-V1448 HydrophobicContact CB-CG1 4.3Å; A1389-V1448 HydrophobicContact CB-CG2 4.39Å; A1389-G1457 CarbonylContact O-C 3.49Å; A1389-G1457 WeakPolarHBondContact O-CA 3.43Å; A1389-T1458 PolarHBondContact N-O 2.8Å; A1389-T1458 PolarHBondContact O-N 3.14Å; A1389-T1458 PolarHBondContact O-OG1 2.84Å; A1389-A1460 HydrophobicContact CB-CB 4.27Å |
| 1390 | K | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118 | -178.7 | 175.6 | 178.7 | 179.9 | 157 | 0 | 109.1 | L1382 I1409 F1410 D1452 R1453 S1455 | L1382-K1390 HydrophobicContact CB-CB 4.33Å; L1382-K1390 HydrophobicContact CD1-CD 4.37Å; L1382-K1390 PolarHBondContact N-O 2.95Å; L1382-K1390 PolarHBondContact O-N 2.92Å; K1390-I1409 WeakPolarHBondContact CE-O 3.25Å; K1390-I1409 PolarHBondContact NZ-O 3.26Å; K1390-F1410 HydrophobicContact CB-CE1 3.86Å; K1390-F1410 HydrophobicContact CB-CZ 3.87Å; K1390-F1410 HydrophobicContact CD-CD1 4.32Å; K1390-F1410 HydrophobicContact CD-CE1 3.97Å; K1390-F1410 HydrophobicContact CD-CZ 4.3Å; K1390-D1452 WeakPolarHBondContact CE-O 3.38Å; K1390-D1452 PolarHBondContact NZ-O 2.81Å; K1390-R1453 PolarHBondContact NZ-O 3.32Å; K1390-S1455 PolarHBondContact NZ-O 2.75Å |
| 1391 | R | 93.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 24.3 Ų | 24.3 | 11% | 0.106 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.6 | 166.5 | -158.8 | 176.5 | -177.9 | -169.4 | 0.4 | 108.6 | P1379 I1380 L1381 T1427 I1445 S1446 V1448 I1450 S1451 | P1379-R1391 HydrophobicContact CB-CG 4.3Å; I1380-R1391 WeakPolarHBondContact O-CA 3.46Å; L1381-R1391 HydrophobicContact CD1-CB 4.17Å; R1391-T1427 PolarHBondContact NH2-O 2.89Å; R1391-T1427 VanDerWaalsContact NH2-O 3.14Å; R1391-I1445 PolarHBondContact NH1-O 2.76Å; R1391-S1446 PolarHBondContact NH1-O 3.09Å; R1391-S1446 VanDerWaalsContact NH1-O 3.14Å; R1391-V1448 HydrophobicContact CB-CB 4.18Å; R1391-V1448 HydrophobicContact CB-CG1 3.83Å; R1391-V1448 WeakPolarHBondContact CD-O 3.43Å; R1391-I1450 HydrophobicContact CG-CG1 4.25Å; R1391-I1450 CarbonylContact O-C 3.45Å; R1391-I1450 WeakPolarHBondContact O-CA 2.97Å; R1391-S1451 PolarHBondContact O-N 3.14Å; R1391-S1451 PolarHBondContact O-OG 3.36Å; R1391-S1451 VanDerWaalsContact O-OG 3.12Å |
| 1392 | M | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 155.3 | 176.7 | 59.8 | 171.3 | -101.1 | 0 | 0 | 109.8 | F1329 P1379 I1380 L1382 E1396 L1397 I1409 S1451 R1453 | F1329-M1392 HydrophobicContact CE2-CE 4.32Å; F1329-M1392 HydrophobicContact CZ-CE 4.24Å; P1379-M1392 WeakPolarHBondContact CA-O 3.38Å; I1380-M1392 PolarHBondContact N-O 3.24Å; I1380-M1392 PolarHBondContact O-N 3.25Å; L1382-M1392 HydrophobicContact CD1-CG 3.87Å; L1382-M1392 HydrophobicContact CD1-SD 3.66Å; M1392-E1396 HydrophobicContact CE-CB 4.12Å; M1392-L1397 HydrophobicContact CE-CG 4.27Å; M1392-I1409 HydrophobicContact CE-CG2 4.23Å; M1392-I1409 HydrophobicContact SD-CB 4.1Å; M1392-I1409 HydrophobicContact SD-CG2 4.26Å; M1392-S1451 WeakPolarHBondContact CB-O 3.26Å; M1392-R1453 HydrophobicContact CE-CG 4.42Å; M1392-R1453 HydrophobicContact SD-CG 4.45Å |
| 1393 | L | 93.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135.9 | 170.9 | -58.9 | 178 | 0 | 0 | 0 | 109.3 | D1377 P1379 Q1395 E1396 I1450 | D1377-L1393 HydrophobicContact CB-CD1 4.27Å; D1377-L1393 HydrophobicContact CB-CD2 3.87Å; P1379-L1393 HydrophobicContact CB-CD2 4.14Å; L1393-Q1395 PolarHBondContact O-N 2.64Å; L1393-Q1395 VanDerWaalsContact O-N 3.07Å; L1393-E1396 HydrophobicContact CB-CG 4.29Å; L1393-E1396 VanDerWaalsContact O-CB 3.31Å; L1393-E1396 WeakPolarHBondContact O-CB 3.24Å; L1393-E1396 WeakPolarHBondContact O-CG 3.26Å; L1393-E1396 PolarHBondContact O-N 3.42Å; L1393-I1450 HydrophobicContact CD2-CD1 4.14Å; L1393-I1450 HydrophobicContact CG-CG2 4.23Å |
| 1394 | A | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -53.3 | -29.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1329 V1372 S1378 I1380 E1396 L1397 | F1329-A1394 HydrophobicContact CD2-CB 3.78Å; F1329-A1394 HydrophobicContact CE2-CB 4.09Å; V1372-A1394 HydrophobicContact CB-CB 4.39Å; V1372-A1394 HydrophobicContact CG1-CB 4.16Å; V1372-A1394 HydrophobicContact CG2-CB 4.03Å; S1378-A1394 WeakPolarHBondContact O-CB 3.43Å; S1378-A1394 PolarHBondContact O-N 3.03Å; I1380-A1394 HydrophobicContact CD1-CB 3.52Å; I1380-A1394 HydrophobicContact CG1-CB 4.09Å; A1394-E1396 VanDerWaalsContact C-N 3.27Å; A1394-E1396 PolarHBondContact O-N 3.44Å; A1394-L1397 PolarHBondContact O-N 3Å; A1394-L1397 VanDerWaalsContact O-N 3.12Å |
| 1395 | Q | 91.6 | Very high | 92.2 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -72 | -10.5 | 179.8 | -63.3 | 69.8 | 20.1 | 0 | 0 | 115.7 | P1373 G1376 S1378 L1393 L1397 | P1373-Q1395 PolarHBondContact O-NE2 3.1Å; G1376-Q1395 WeakPolarHBondContact O-CG 3.44Å; G1376-Q1395 PolarHBondContact O-NE2 3.06Å; G1376-Q1395 VanDerWaalsContact O-NE2 3.07Å; G1376-Q1395 PolarHBondContact O-OE1 3.12Å; S1378-Q1395 PolarHBondContact OG-NE2 3.01Å; L1393-Q1395 PolarHBondContact O-N 2.64Å; L1393-Q1395 VanDerWaalsContact O-N 3.07Å; Q1395-L1397 PolarHBondContact O-N 3.39Å |
| 1396 | E | 90.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -66.7 | -17.6 | 165.9 | -69.1 | -76.1 | 133.4 | 0 | 0 | 112.7 | M1392 L1393 A1394 R1453 | M1392-E1396 HydrophobicContact CE-CB 4.12Å; L1393-E1396 HydrophobicContact CB-CG 4.29Å; L1393-E1396 VanDerWaalsContact O-CB 3.31Å; L1393-E1396 WeakPolarHBondContact O-CB 3.24Å; L1393-E1396 WeakPolarHBondContact O-CG 3.26Å; L1393-E1396 PolarHBondContact O-N 3.42Å; A1394-E1396 VanDerWaalsContact C-N 3.27Å; A1394-E1396 PolarHBondContact O-N 3.44Å; E1396-R1453 HydrophobicContact CB-CB 3.94Å; E1396-R1453 PolarHBondContact OE2-N 3.5Å |
| 1397 | L | 91.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -93.7 | 122.1 | 166.7 | -69.8 | 177.9 | 0 | 0 | 0 | 109.5 | F1329 G1337 R1339 M1392 A1394 Q1395 L1407 I1409 R1453 | F1329-L1397 HydrophobicContact CD2-CD1 4.28Å; F1329-L1397 HydrophobicContact CE2-CD1 3.48Å; F1329-L1397 VanDerWaalsContact CE2-CD1 3.48Å; F1329-L1397 HydrophobicContact CE2-CG 4.33Å; F1329-L1397 HydrophobicContact CZ-CD1 3.89Å; G1337-L1397 VanDerWaalsContact C-CD1 3.4Å; G1337-L1397 WeakPolarHBondContact O-CD1 3.41Å; R1339-L1397 HydrophobicContact CB-CB 4.26Å; R1339-L1397 PolarHBondContact NH1-O 3.25Å; M1392-L1397 HydrophobicContact CE-CG 4.27Å; A1394-L1397 PolarHBondContact O-N 3Å; A1394-L1397 VanDerWaalsContact O-N 3.12Å; Q1395-L1397 PolarHBondContact O-N 3.39Å; L1397-L1407 HydrophobicContact CD2-CB 3.73Å; L1397-L1407 HydrophobicContact CD2-CD1 4.12Å; L1397-L1407 HydrophobicContact CD2-CG 4.42Å; L1397-I1409 HydrophobicContact CD1-CG2 4.04Å; L1397-I1409 HydrophobicContact CD2-CG2 4.44Å; L1397-R1453 VanDerWaalsContact CD2-CD 3.47Å; L1397-R1453 HydrophobicContact CD2-CG 4.36Å |
| 1398 | P | 91.1 | Very high | 92.4 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -62 | 145 | 170.6 | 28.6 | -34.5 | 0 | 0 | 0 | 109.1 | L1400 L1407 | P1398-L1400 PolarHBondContact O-N 3.1Å; P1398-L1407 HydrophobicContact CG-CD1 3.86Å |
| 1399 | Q | 92.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 118.2 | 169.6 | -165.3 | -179.9 | -40.8 | 0 | 0 | 109.3 | P1341 | P1341-Q1399 HydrophobicContact CG-CG 4.17Š|
| 1400 | L | 93.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.346 | 22% | 0.219 | S | C | . | . | trans | -110.5 | -174.8 | 174 | -63.6 | 177.9 | 0 | 0 | 0 | 108.6 | L1338 R1339 Y1340 P1398 L1407 | L1338-L1400 HydrophobicContact CD1-CB 3.84Å; L1338-L1400 HydrophobicContact CD1-CD1 3.94Å; L1338-L1400 HydrophobicContact CD1-CG 4.45Å; R1339-L1400 PolarHBondContact O-N 3Å; Y1340-L1400 WeakPolarHBondContact CB-O 3.26Å; P1398-L1400 PolarHBondContact O-N 3.1Å; L1400-L1407 HydrophobicContact CD1-CD1 4.47Å | ||
| 1401 | G | 89.7 | Confident | 92.1 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | trans | -85.9 | 159.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1404 | G1401-K1404 WeakPolarHBondContact O-CG 3.39Š| ||
| 1402 | R | 93.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 154.2 | 172.3 | -174.6 | 171.6 | 60.6 | 70.7 | -0.7 | 111.7 | Y1340 E1344 V1355 K1356 K1404 | Y1340-R1402 HydrophobicContact CD1-CB 4.46Å; Y1340-R1402 HydrophobicContact CD2-CB 3.77Å; Y1340-R1402 HydrophobicContact CD2-CG 4.19Å; Y1340-R1402 HydrophobicContact CE1-CG 4.37Å; Y1340-R1402 HydrophobicContact CE2-CB 3.84Å; Y1340-R1402 HydrophobicContact CE2-CG 3.71Å; Y1340-R1402 HydrophobicContact CG-CB 4.1Å; E1344-R1402 HydrophobicContact CB-CB 4.12Å; E1344-R1402 PolarHBondContact O-NE 3.1Å; E1344-R1402 PolarHBondContact O-NH2 3Å; E1344-R1402 WeakPolarHBondContact OE2-CB 3.43Å; E1344-R1402 PolarHBondContact OE2-N 2.73Å; V1355-R1402 VanDerWaalsContact CG2-CZ 3.46Å; K1356-R1402 WeakPolarHBondContact O-CD 3.47Å; K1356-R1402 VanDerWaalsContact O-CG 3.23Å; K1356-R1402 WeakPolarHBondContact O-CG 3.02Å; K1356-R1402 PolarHBondContact O-NH1 3.06Å; R1402-K1404 PolarHBondContact O-N 3.47Å |
| 1403 | A | 92 | Very high | 91.6 | Very high | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 22.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1356 A1357 N1359 | K1356-A1403 HydrophobicContact CB-CB 4.17Å; K1356-A1403 HydrophobicContact CD-CB 3.99Å; K1356-A1403 HydrophobicContact CG-CB 3.92Å; A1357-A1403 PolarHBondContact O-N 2.72Å; N1359-A1403 WeakPolarHBondContact CB-O 3.43Å |
| 1404 | K | 94.4 | Very high | 91.2 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -84.5 | 168.3 | 164.4 | -62.5 | -66.3 | -180 | -178 | 0 | 109.9 | L1338 I1358 N1359 G1401 R1402 G1406 | L1338-K1404 HydrophobicContact CD1-CB 3.94Å; L1338-K1404 HydrophobicContact CD2-CB 4.46Å; I1358-K1404 WeakPolarHBondContact CG1-O 3.21Å; N1359-K1404 PolarHBondContact N-O 3.49Å; G1401-K1404 WeakPolarHBondContact O-CG 3.39Å; R1402-K1404 PolarHBondContact O-N 3.47Å; K1404-G1406 VanDerWaalsContact C-N 3.29Å |
| 1405 | R | 90.6 | Very high | 91 | Very high | 119 Ų | 119 | 75.7 Ų | 75.7 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | trans | -75.7 | -18.8 | 178.8 | -175.5 | 169.7 | -73.9 | 161 | -2.9 | 113 | F1336 | F1336-R1405 WeakPolarHBondContact CB-O 3.29Å; F1336-R1405 HydrophobicContact CD1-CG 4.03Å; F1336-R1405 HydrophobicContact CE1-CG 4.1Å; F1336-R1405 HydrophobicContact CG-CG 4.45Å | ||
| 1406 | G | 92.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 76.8 Ų | 76.8 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | 76.1 | -171.2 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1337 K1404 | G1337-G1406 CarbonylContact O-C 3.56Å; G1337-G1406 WeakPolarHBondContact O-CA 3.34Å; K1404-G1406 VanDerWaalsContact C-N 3.29Å | ||
| 1407 | L | 93.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 74 Ų | 74 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.9 | -179.3 | -59.6 | 163.2 | 0 | 0 | 0 | 109.4 | F1336 G1337 L1397 P1398 L1400 I1409 R1453 | F1336-L1407 CarbonylContact C-O 3.5Å; F1336-L1407 WeakPolarHBondContact CA-O 3.27Å; G1337-L1407 PolarHBondContact N-O 3.09Å; G1337-L1407 PolarHBondContact O-N 3.49Å; L1397-L1407 HydrophobicContact CD2-CB 3.73Å; L1397-L1407 HydrophobicContact CD2-CD1 4.12Å; L1397-L1407 HydrophobicContact CD2-CG 4.42Å; P1398-L1407 HydrophobicContact CG-CD1 3.86Å; L1400-L1407 HydrophobicContact CD1-CD1 4.47Å; L1407-I1409 PolarHBondContact O-N 2.9Å; L1407-R1453 VanDerWaalsContact CB-NH1 3.27Å |
| 1408 | M | 92.6 | Very high | 90.8 | Very high | 48 Ų | 48 | 74 Ų | 74 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 130.7 | 178.9 | -69.2 | -65.4 | -59.1 | 0 | 0 | 111.1 | R1334 A1335 F1336 F1410 E1412 R1453 | R1334-M1408 WeakPolarHBondContact O-CE 3.06Å; A1335-M1408 HydrophobicContact CB-CE 4.07Å; A1335-M1408 CarbonylContact O-C 3.54Å; A1335-M1408 VanDerWaalsContact O-CA 3.28Å; A1335-M1408 WeakPolarHBondContact O-CA 3.4Å; F1336-M1408 HydrophobicContact CD1-CG 4.48Å; F1336-M1408 HydrophobicContact CD1-SD 4.05Å; F1336-M1408 HydrophobicContact CD2-SD 3.95Å; F1336-M1408 HydrophobicContact CE1-CG 4.03Å; F1336-M1408 HydrophobicContact CE1-SD 3.68Å; F1336-M1408 HydrophobicContact CE2-SD 3.56Å; F1336-M1408 VanDerWaalsContact CE2-SD 3.56Å; F1336-M1408 HydrophobicContact CG-SD 4.17Å; F1336-M1408 HydrophobicContact CZ-CG 4.23Å; F1336-M1408 HydrophobicContact CZ-SD 3.41Å; F1336-M1408 WeakPolarHBondContact CZ-SD 3.28Å; M1408-F1410 WeakPolarHBondContact CE-O 3.4Å; M1408-E1412 HydrophobicContact CE-CB 4.13Å; M1408-E1412 VanDerWaalsContact CE-OE2 3.24Å; M1408-E1412 WeakPolarHBondContact CE-OE2 3.47Å; M1408-R1453 WeakPolarHBondContact O-CD 3.49Å; M1408-R1453 WeakPolarHBondContact O-CG 3.28Å |
| 1409 | I | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -101.8 | -12.5 | 174.4 | 68 | -165.7 | 0 | 0 | 0 | 112.7 | A1331 A1335 L1382 K1390 M1392 L1397 L1407 L1420 R1453 | A1331-I1409 HydrophobicContact CB-CD1 3.86Å; A1335-I1409 HydrophobicContact CB-CG1 4.03Å; A1335-I1409 WeakPolarHBondContact O-CG1 3.05Å; A1335-I1409 PolarHBondContact O-N 2.74Å; L1382-I1409 HydrophobicContact CD1-CB 4.04Å; L1382-I1409 HydrophobicContact CD1-CD1 3.69Å; L1382-I1409 HydrophobicContact CD1-CG1 3.92Å; L1382-I1409 HydrophobicContact CD2-CD1 3.86Å; L1382-I1409 HydrophobicContact CG-CD1 4.4Å; K1390-I1409 WeakPolarHBondContact CE-O 3.25Å; K1390-I1409 PolarHBondContact NZ-O 3.26Å; M1392-I1409 HydrophobicContact CE-CG2 4.23Å; M1392-I1409 HydrophobicContact SD-CB 4.1Å; M1392-I1409 HydrophobicContact SD-CG2 4.26Å; L1397-I1409 HydrophobicContact CD1-CG2 4.04Å; L1397-I1409 HydrophobicContact CD2-CG2 4.44Å; L1407-I1409 PolarHBondContact O-N 2.9Å; I1409-L1420 HydrophobicContact CD1-CD2 4.33Å; I1409-R1453 CarbonylContact C-O 3.58Å |
| 1410 | F | 91.3 | Very high | 91 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -118.4 | 145 | 164.2 | -78.7 | -76.5 | 0 | 0 | 0 | 108.8 | A1335 L1382 A1388 K1390 M1408 E1412 H1418 L1420 N1456 | A1335-F1410 HydrophobicContact CB-CB 3.84Å; A1335-F1410 HydrophobicContact CB-CD2 3.72Å; A1335-F1410 HydrophobicContact CB-CG 4.26Å; L1382-F1410 HydrophobicContact CB-CE2 4.13Å; L1382-F1410 HydrophobicContact CB-CZ 4.21Å; A1388-F1410 HydrophobicContact CB-CE1 4.46Å; K1390-F1410 HydrophobicContact CB-CE1 3.86Å; K1390-F1410 HydrophobicContact CB-CZ 3.87Å; K1390-F1410 HydrophobicContact CD-CD1 4.32Å; K1390-F1410 HydrophobicContact CD-CE1 3.97Å; K1390-F1410 HydrophobicContact CD-CZ 4.3Å; M1408-F1410 WeakPolarHBondContact CE-O 3.4Å; F1410-E1412 PolarHBondContact O-N 3.08Å; F1410-H1418 HydrophobicContact CB-CB 3.97Å; F1410-H1418 HydrophobicContact CD1-CB 4.12Å; F1410-H1418 HydrophobicContact CD2-CB 4.41Å; F1410-H1418 HydrophobicContact CG-CB 3.93Å; F1410-L1420 HydrophobicContact CE2-CD1 4.06Å; F1410-N1456 HydrophobicContact CD1-CB 4.21Å; F1410-N1456 WeakPolarHBondContact CE1-O 3.4Å |
| 1411 | R | 89.1 | Confident | 91 | Very high | 162 Ų | 162 | 67 Ų | 67 | 61% | 0.611 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 118.3 | 171.7 | 175.3 | 178.4 | -177.6 | -177.6 | 2.1 | 109.9 | L1413 I1454 N1456 | R1411-L1413 PolarHBondContact O-N 3.06Å; R1411-I1454 HydrophobicContact CB-CG2 4.4Å; R1411-I1454 VanDerWaalsContact CB-O 3.24Å; R1411-I1454 WeakPolarHBondContact CB-O 3.33Å; R1411-N1456 PolarHBondContact N-OD1 3.08Å; R1411-N1456 PolarHBondContact O-ND2 2.95Å; R1411-N1456 PolarHBondContact O-OD1 2.78Å |
| 1412 | E | 89 | Confident | 91.1 | Very high | 90 Ų | 90 | 68.4 Ų | 68.4 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 125.5 | 179 | -165.7 | 70.6 | -179.4 | 0 | 0 | 110.7 | M1408 F1410 P1417 R1419 | M1408-E1412 HydrophobicContact CE-CB 4.13Å; M1408-E1412 VanDerWaalsContact CE-OE2 3.24Å; M1408-E1412 WeakPolarHBondContact CE-OE2 3.47Å; F1410-E1412 PolarHBondContact O-N 3.08Å; E1412-P1417 WeakPolarHBondContact OE1-CB 3.39Å; E1412-R1419 IonicContact OE1-CZ 2.93Å; E1412-R1419 IonicContact OE1-NH1 2.67Å; E1412-R1419 PolarHBondContact OE1-NH1 2.82Å; E1412-R1419 IonicContact OE1-NH2 3.72Å; E1412-R1419 PolarHBondContact OE1-NH2 2.92Å; E1412-R1419 IonicContact OE2-NH1 3.75Å; E1412-R1419 PolarHBondContact OE2-NH1 2.87Å; E1412-R1419 VanDerWaalsContact OE2-NH1 3.16Å |
| 1413 | L | 88.2 | Confident | 91.1 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 31% | 0.314 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 146 | 176.1 | -57.4 | 176.7 | 0 | 0 | 0 | 110.1 | R1386 R1411 K1415 | R1386-L1413 VanDerWaalsContact NH1-CD1 3.25Å; R1411-L1413 PolarHBondContact O-N 3.06Å; L1413-K1415 VanDerWaalsContact C-N 3.29Å; L1413-K1415 PolarHBondContact O-N 3.22Å |
| 1414 | K | 84.3 | Confident | 91.1 | Very high | 228 Ų | 228 | 64.7 Ų | 64.7 | 99% | 0.991 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -64.9 | -30.8 | 178.9 | -70.4 | -173.8 | 178.6 | -178.3 | 0 | 113.5 | ||
| 1415 | K | 86.9 | Confident | 90.9 | Very high | 190 Ų | 190 | 60.6 Ų | 60.6 | 83% | 0.826 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -129 | 134.2 | 179.6 | -173.2 | 177.6 | -179.7 | 179.4 | 0 | 108.6 | L1413 | L1413-K1415 VanDerWaalsContact C-N 3.29Å; L1413-K1415 PolarHBondContact O-N 3.22Å |
| 1416 | N | 87.4 | Confident | 90.7 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 48.2 | 63.9 | -177.6 | -160.6 | 19.8 | 0 | 0 | 0 | 113.8 | R1386 E1463 | R1386-N1416 WeakPolarHBondContact CD-O 3.37Å; R1386-N1416 PolarHBondContact NH1-O 2.92Å; N1416-E1463 PolarHBondContact ND2-OE1 2.85Å; N1416-E1463 PolarHBondContact ND2-OE2 3.22Å |
| 1417 | P | 91 | Very high | 90.4 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -66.6 | 150.4 | -175.6 | 30.8 | -36.8 | 0 | 0 | 0 | 112 | Q1385 E1412 R1419 | Q1385-P1417 PolarHBondContact NE2-O 3.16Å; E1412-P1417 WeakPolarHBondContact OE1-CB 3.39Å; P1417-R1419 PolarHBondContact O-N 3.22Å | ||
| 1418 | H | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 66.3 Ų | 66.3 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | trans | -65.3 | 135.8 | 173.1 | -68.3 | -85.9 | 0 | 0 | 0 | 110.1 | S1384 R1386 F1410 N1456 F1459 | S1384-H1418 PolarHBondContact OG-ND1 3.43Å; R1386-H1418 PolarHBondContact NH1-CE1 3.49Å; R1386-H1418 PolarHBondContact NH1-NE2 2.94Å; F1410-H1418 HydrophobicContact CB-CB 3.97Å; F1410-H1418 HydrophobicContact CD1-CB 4.12Å; F1410-H1418 HydrophobicContact CD2-CB 4.41Å; F1410-H1418 HydrophobicContact CG-CB 3.93Å; H1418-N1456 PolarHBondContact CD2-ND2 3.37Å; H1418-F1459 AromaticContact CE1-CE1 3.9Å; H1418-F1459 AromaticContact CE1-CZ 3.6Å | ||
| 1419 | R | 93.7 | Very high | 89.6 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | trans | -126.2 | 132.8 | 174.7 | -60.8 | -66.8 | 170.7 | -110.1 | 8.6 | 107.7 | H1333 S1384 Q1385 E1412 P1417 A1421 | H1333-R1419 WeakPolarHBondContact CE1-CB 3.26Å; H1333-R1419 CarbonylContact O-C 3.6Å; H1333-R1419 WeakPolarHBondContact O-CA 3.29Å; H1333-R1419 WeakPolarHBondContact O-CB 3.17Å; H1333-R1419 WeakPolarHBondContact O-CD 3.41Å; S1384-R1419 CarbonylContact C-O 3.27Å; S1384-R1419 WeakPolarHBondContact CA-O 3.5Å; S1384-R1419 WeakPolarHBondContact CB-O 3.39Å; Q1385-R1419 VanDerWaalsContact CD-N 3.31Å; Q1385-R1419 HydrophobicContact CG-CB 4.31Å; Q1385-R1419 PolarHBondContact N-O 2.79Å; Q1385-R1419 PolarHBondContact OE1-O 3.05Å; E1412-R1419 IonicContact OE1-CZ 2.93Å; E1412-R1419 IonicContact OE1-NH1 2.67Å; E1412-R1419 PolarHBondContact OE1-NH1 2.82Å; E1412-R1419 IonicContact OE1-NH2 3.72Å; E1412-R1419 PolarHBondContact OE1-NH2 2.92Å; E1412-R1419 IonicContact OE2-NH1 3.75Å; E1412-R1419 PolarHBondContact OE2-NH1 2.87Å; E1412-R1419 VanDerWaalsContact OE2-NH1 3.16Å; P1417-R1419 PolarHBondContact O-N 3.22Å; R1419-A1421 PolarHBondContact O-N 3.25Å | ||
| 1420 | L | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.7 | -179.2 | -171.2 | 70.8 | 0 | 0 | 0 | 109.4 | A1331 S1332 H1333 V1367 L1382 I1409 F1410 Y1422 M1423 | A1331-L1420 HydrophobicContact CB-CD2 3.32Å; S1332-L1420 WeakPolarHBondContact O-CB 3.38Å; H1333-L1420 PolarHBondContact ND1-O 2.83Å; H1333-L1420 PolarHBondContact O-N 3.4Å; V1367-L1420 HydrophobicContact CB-CD2 3.9Å; V1367-L1420 HydrophobicContact CB-CG 4.24Å; V1367-L1420 HydrophobicContact CG1-CD2 4.2Å; V1367-L1420 HydrophobicContact CG1-CG 4.16Å; V1367-L1420 HydrophobicContact CG2-CB 4.12Å; V1367-L1420 HydrophobicContact CG2-CD2 4.14Å; V1367-L1420 HydrophobicContact CG2-CG 4.18Å; V1367-L1420 WeakPolarHBondContact CG2-O 3Å; L1382-L1420 HydrophobicContact CB-CD1 3.82Å; L1382-L1420 HydrophobicContact CD2-CD1 3.75Å; L1382-L1420 HydrophobicContact CD2-CD2 4.27Å; L1382-L1420 HydrophobicContact CG-CD1 4.38Å; I1409-L1420 HydrophobicContact CD1-CD2 4.33Å; F1410-L1420 HydrophobicContact CE2-CD1 4.06Å; L1420-Y1422 WeakPolarHBondContact CD1-O 3.4Å; L1420-M1423 HydrophobicContact CD2-CB 4.46Å |
| 1421 | A | 92 | Very high | 89.3 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1367 L1383 Q1385 R1419 L1469 | V1367-A1421 WeakPolarHBondContact CG1-O 3.34Å; L1383-A1421 PolarHBondContact O-N 3.48Å; Q1385-A1421 HydrophobicContact CB-CB 4.43Å; R1419-A1421 PolarHBondContact O-N 3.25Å; A1421-L1469 HydrophobicContact CB-CD2 4.05Å |
| 1422 | Y | 92.9 | Very high | 89.3 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.9 | 178.5 | 179.3 | -90 | 0 | 0 | 0 | 111.4 | L1383 L1420 T1424 L1431 V1472 | L1383-Y1422 HydrophobicContact CD1-CD1 3.82Å; L1383-Y1422 HydrophobicContact CD1-CG 4.36Å; L1383-Y1422 PolarHBondContact N-O 3.15Å; L1383-Y1422 PolarHBondContact O-N 3.49Å; L1420-Y1422 WeakPolarHBondContact CD1-O 3.4Å; Y1422-T1424 HydrophobicContact CE1-CG2 3.78Å; Y1422-L1431 HydrophobicContact CD1-CD1 4.49Å; Y1422-L1431 HydrophobicContact CE1-CD1 3.9Å; Y1422-L1431 HydrophobicContact CE1-CD2 4.33Å; Y1422-V1472 HydrophobicContact CD1-CB 4.25Å; Y1422-V1472 HydrophobicContact CD1-CG1 3.81Å; Y1422-V1472 HydrophobicContact CD1-CG2 4.45Å; Y1422-V1472 HydrophobicContact CD2-CB 3.68Å; Y1422-V1472 HydrophobicContact CD2-CG1 3.96Å; Y1422-V1472 HydrophobicContact CD2-CG2 4.24Å; Y1422-V1472 HydrophobicContact CE1-CG1 3.87Å; Y1422-V1472 HydrophobicContact CE2-CB 4.11Å; Y1422-V1472 HydrophobicContact CE2-CG1 4.03Å; Y1422-V1472 HydrophobicContact CG-CB 3.75Å; Y1422-V1472 HydrophobicContact CG-CG1 3.84Å; Y1422-V1472 HydrophobicContact CG-CG2 3.88Å |
| 1423 | M | 93.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.5 | 173.6 | 172.8 | -172.7 | 95.2 | 0 | 0 | 110 | F1329 A1331 A1368 G1369 A1370 I1380 L1381 L1382 L1420 | F1329-M1423 HydrophobicContact CD1-CE 4.06Å; F1329-M1423 HydrophobicContact CD1-SD 3.72Å; F1329-M1423 HydrophobicContact CE1-CE 4.48Å; F1329-M1423 HydrophobicContact CE1-SD 3.53Å; F1329-M1423 VanDerWaalsContact CE1-SD 3.53Å; A1331-M1423 HydrophobicContact CB-SD 3.55Å; A1331-M1423 VanDerWaalsContact CB-SD 3.55Å; A1368-M1423 VanDerWaalsContact C-CE 3.46Å; A1368-M1423 HydrophobicContact CB-CB 4.15Å; A1368-M1423 HydrophobicContact CB-CE 3.83Å; A1368-M1423 WeakPolarHBondContact O-CE 3.24Å; G1369-M1423 VanDerWaalsContact C-CE 3.41Å; A1370-M1423 HydrophobicContact CB-CE 4.06Å; I1380-M1423 HydrophobicContact CG2-CG 3.51Å; I1380-M1423 HydrophobicContact CG2-SD 3.93Å; L1381-M1423 VanDerWaalsContact O-CA 3.26Å; L1381-M1423 WeakPolarHBondContact O-CA 3.08Å; L1382-M1423 HydrophobicContact CD2-CB 3.93Å; L1382-M1423 HydrophobicContact CD2-CG 3.69Å; L1382-M1423 HydrophobicContact CD2-SD 3.96Å; L1420-M1423 HydrophobicContact CD2-CB 4.46Å |
| 1424 | T | 91.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 147.6 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | L1381 Y1422 E1426 L1431 I1445 | L1381-T1424 HydrophobicContact CB-CG2 4.05Å; L1381-T1424 HydrophobicContact CD2-CG2 4.41Å; L1381-T1424 PolarHBondContact N-O 3.06Å; L1381-T1424 PolarHBondContact O-N 2.81Å; Y1422-T1424 HydrophobicContact CE1-CG2 3.78Å; T1424-E1426 WeakPolarHBondContact OG1-CB 3.2Å; T1424-E1426 WeakPolarHBondContact OG1-CG 3.39Å; T1424-E1426 PolarHBondContact OG1-N 3.48Å; T1424-E1426 VanDerWaalsContact OG1-N 3.12Å; T1424-L1431 HydrophobicContact CG2-CD1 4.36Å; T1424-I1445 HydrophobicContact CG2-CD1 3.93Å |
| 1425 | A | 89.8 | Confident | 89.6 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | trans | -97.5 | 2.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1370 I1380 | A1370-A1425 HydrophobicContact CB-CB 3.61Å; I1380-A1425 HydrophobicContact CG1-CB 4.46Å | ||
| 1426 | E | 87.2 | Confident | 89.6 | Confident | 97 Ų | 97 | 41.8 Ų | 41.8 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | trans | -65.5 | 143.5 | 173.5 | -65.5 | -167.9 | -152.6 | 0 | 0 | 110.9 | T1424 I1445 Q1474 | T1424-E1426 WeakPolarHBondContact OG1-CB 3.2Å; T1424-E1426 WeakPolarHBondContact OG1-CG 3.39Å; T1424-E1426 PolarHBondContact OG1-N 3.48Å; T1424-E1426 VanDerWaalsContact OG1-N 3.12Å; E1426-I1445 HydrophobicContact CB-CD1 4.24Å; E1426-I1445 WeakPolarHBondContact O-CG2 3.13Å; E1426-Q1474 PolarHBondContact OE1-OE1 3.41Å; E1426-Q1474 PolarHBondContact OE2-NE2 2.79Å; E1426-Q1474 PolarHBondContact OE2-OE1 3.47Å | ||
| 1427 | T | 84.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -98.4 | -20.9 | -174.2 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | P1379 R1391 | P1379-T1427 HydrophobicContact CG-CG2 3.85Å; R1391-T1427 PolarHBondContact NH2-O 2.89Å; R1391-T1427 VanDerWaalsContact NH2-O 3.14Å |
| 1428 | E | 85.3 | Confident | 89.3 | Confident | 145 Ų | 145 | 45.6 Ų | 45.6 | 68% | 0.678 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -135.4 | 166.3 | -175.5 | -61.4 | -169.9 | 172.6 | 0 | 0 | 109.7 | ||
| 1429 | G | 85 | Confident | 89 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | trans | 110 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1445 | G1429-I1445 PolarHBondContact O-N 3.17Š| ||
| 1430 | K | 88.2 | Confident | 88.8 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136 | 179.3 | -66.6 | -178.9 | 178.5 | -174.5 | 0 | 110.1 | E1442 I1443 E1444 | K1430-E1442 IonicContact NZ-OE2 2.74Å; K1430-I1443 CarbonylContact C-O 3.58Å; K1430-I1443 WeakPolarHBondContact CA-O 3.37Å; K1430-E1444 HydrophobicContact CG-CG 4.37Å |
| 1431 | L | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.6 | 172.9 | -57.8 | 176.3 | 0 | 0 | 0 | 109.3 | L1381 L1383 Y1422 T1424 E1442 I1443 I1445 V1472 M1473 Q1474 | L1381-L1431 HydrophobicContact CD2-CD1 3.49Å; L1381-L1431 VanDerWaalsContact CD2-CD1 3.49Å; L1383-L1431 HydrophobicContact CD1-CD1 4.27Å; Y1422-L1431 HydrophobicContact CD1-CD1 4.49Å; Y1422-L1431 HydrophobicContact CE1-CD1 3.9Å; Y1422-L1431 HydrophobicContact CE1-CD2 4.33Å; T1424-L1431 HydrophobicContact CG2-CD1 4.36Å; L1431-E1442 CarbonylContact O-C 3.46Å; L1431-E1442 WeakPolarHBondContact O-CA 3.35Å; L1431-I1443 HydrophobicContact CB-CD1 4.41Å; L1431-I1443 HydrophobicContact CB-CG1 3.82Å; L1431-I1443 HydrophobicContact CD1-CD1 4.24Å; L1431-I1443 HydrophobicContact CD1-CG1 4.45Å; L1431-I1443 PolarHBondContact N-O 3.02Å; L1431-I1443 PolarHBondContact O-N 2.85Å; L1431-I1445 HydrophobicContact CD1-CD1 4.11Å; L1431-I1445 HydrophobicContact CD1-CG1 3.93Å; L1431-I1445 HydrophobicContact CD2-CD1 4.16Å; L1431-I1445 HydrophobicContact CG-CD1 3.97Å; L1431-I1445 HydrophobicContact CG-CG1 3.89Å; L1431-V1472 HydrophobicContact CB-CG1 4.03Å; L1431-V1472 HydrophobicContact CD1-CG1 4.15Å; L1431-V1472 HydrophobicContact CD2-CG1 4.27Å; L1431-V1472 HydrophobicContact CG-CG1 4.39Å; L1431-M1473 CarbonylContact C-O 3.6Å; L1431-M1473 VanDerWaalsContact CA-O 3.31Å; L1431-M1473 WeakPolarHBondContact CA-O 3.5Å; L1431-Q1474 HydrophobicContact CD2-CB 3.69Å; L1431-Q1474 HydrophobicContact CD2-CG 3.99Å |
| 1432 | T | 89.3 | Confident | 88.3 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 115.7 | 169.9 | -56.6 | 0 | 0 | 0 | 0 | 108.5 | E1440 V1472 M1473 | T1432-E1440 HydrophobicContact CG2-CB 4.18Å; T1432-E1440 HydrophobicContact CG2-CG 4.44Å; T1432-V1472 WeakPolarHBondContact O-CA 3.34Å; T1432-M1473 PolarHBondContact N-O 2.67Å; T1432-M1473 PolarHBondContact O-N 2.72Å |
| 1433 | L | 90.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.6 | 178.1 | -54.2 | 170 | 0 | 0 | 0 | 109.1 | L1383 E1440 K1441 I1443 A1460 I1461 L1469 V1472 | L1383-L1433 HydrophobicContact CD1-CD2 3.48Å; L1383-L1433 VanDerWaalsContact CD1-CD2 3.48Å; L1383-L1433 HydrophobicContact CD2-CD2 4.21Å; L1383-L1433 HydrophobicContact CG-CD2 4.48Å; L1433-E1440 CarbonylContact O-C 3.4Å; L1433-E1440 VanDerWaalsContact O-CA 3.25Å; L1433-E1440 WeakPolarHBondContact O-CA 3.49Å; L1433-K1441 HydrophobicContact CB-CB 4.5Å; L1433-K1441 WeakPolarHBondContact CB-O 3.24Å; L1433-K1441 PolarHBondContact N-O 2.87Å; L1433-K1441 PolarHBondContact O-N 3.04Å; L1433-I1443 HydrophobicContact CD1-CB 4.49Å; L1433-I1443 HydrophobicContact CD1-CD1 4.09Å; L1433-I1443 HydrophobicContact CD1-CG1 4.09Å; L1433-I1443 HydrophobicContact CD1-CG2 3.64Å; L1433-I1443 HydrophobicContact CD2-CD1 4.27Å; L1433-I1443 HydrophobicContact CD2-CG1 4.5Å; L1433-I1443 HydrophobicContact CG-CD1 4.43Å; L1433-I1443 HydrophobicContact CG-CG1 4.26Å; L1433-A1460 HydrophobicContact CD1-CB 3.71Å; L1433-I1461 HydrophobicContact CB-CD1 3.9Å; L1433-I1461 HydrophobicContact CD1-CD1 3.97Å; L1433-I1461 HydrophobicContact CD1-CG1 4.31Å; L1433-L1469 HydrophobicContact CB-CD1 3.85Å; L1433-L1469 HydrophobicContact CD2-CD1 3.87Å; L1433-L1469 HydrophobicContact CD2-CD2 4.47Å; L1433-L1469 HydrophobicContact CG-CD1 4.42Å; L1433-V1472 HydrophobicContact CD2-CB 4.48Å; L1433-V1472 HydrophobicContact CD2-CG1 4.08Å; L1433-V1472 HydrophobicContact CD2-CG2 3.82Å |
| 1434 | T | 88.8 | Confident | 88 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 10% | 0.104 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.8 | 173.4 | -48.5 | 0 | 0 | 0 | 0 | 109.2 | I1439 E1440 F1470 S1471 | T1434-I1439 WeakPolarHBondContact CA-O 3.3Å; T1434-E1440 HydrophobicContact CG2-CG 4.15Å; T1434-F1470 WeakPolarHBondContact O-CA 3.23Å; T1434-F1470 WeakPolarHBondContact O-CB 3.4Å; T1434-F1470 PolarHBondContact O-N 3.14Å; T1434-S1471 WeakPolarHBondContact CB-OG 3.29Å; T1434-S1471 PolarHBondContact N-O 2.92Å; T1434-S1471 PolarHBondContact O-N 3.49Å |
| 1435 | T | 89.7 | Confident | 87.9 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 165.2 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | K1437 G1438 I1439 I1461 E1466 E1468 | T1435-K1437 PolarHBondContact O-N 3.23Å; T1435-G1438 PolarHBondContact O-N 2.88Å; T1435-I1439 PolarHBondContact N-O 2.91Å; T1435-I1439 WeakPolarHBondContact OG1-CA 3.2Å; T1435-I1439 WeakPolarHBondContact OG1-CB 3.49Å; T1435-I1439 PolarHBondContact OG1-N 2.77Å; T1435-I1439 PolarHBondContact OG1-O 3.42Å; T1435-I1439 VanDerWaalsContact OG1-O 3.08Å; T1435-I1461 HydrophobicContact CG2-CB 4.46Å; T1435-I1461 HydrophobicContact CG2-CD1 3.76Å; T1435-I1461 HydrophobicContact CG2-CG1 4.02Å; T1435-I1461 HydrophobicContact CG2-CG2 3.56Å; T1435-E1466 VanDerWaalsContact CB-O 3.27Å; T1435-E1466 WeakPolarHBondContact CB-O 3.41Å; T1435-E1466 HydrophobicContact CG2-CB 4.29Å; T1435-E1466 PolarHBondContact OG1-O 3Å; T1435-E1466 VanDerWaalsContact OG1-O 3.14Å; T1435-E1468 CarbonylContact C-O 3.59Å; T1435-E1468 WeakPolarHBondContact CA-O 3.43Å |
| 1436 | T | 86.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.8 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | E1468 F1470 | T1436-E1468 HydrophobicContact CG2-CB 4.09Å; T1436-E1468 PolarHBondContact N-O 3.03Å; T1436-E1468 PolarHBondContact OG1-N 3.45Å; T1436-F1470 HydrophobicContact CG2-CB 4.1Å; T1436-F1470 HydrophobicContact CG2-CD2 4.39Å |
| 1437 | K | 87.1 | Confident | 87.8 | Confident | 120 Ų | 120 | 63.5 Ų | 63.5 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 6.8 | 173 | -59.2 | -173.3 | -171.3 | 178.2 | 0 | 113.2 | T1435 I1439 K1464 Q1465 E1466 | T1435-K1437 PolarHBondContact O-N 3.23Å; K1437-I1439 VanDerWaalsContact C-N 3.32Å; K1437-I1439 PolarHBondContact O-N 3.24Å; K1437-K1464 PolarHBondContact NZ-O 2.74Å; K1437-Q1465 PolarHBondContact NZ-O 3.21Å; K1437-E1466 VanDerWaalsContact CB-O 3.29Å; K1437-E1466 WeakPolarHBondContact CB-O 3.25Å; K1437-E1466 WeakPolarHBondContact CD-O 3.34Å; K1437-E1466 VanDerWaalsContact CG-O 3.26Å; K1437-E1466 WeakPolarHBondContact CG-O 3.37Å |
| 1438 | G | 84 | Confident | 88 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 75.5 | 15.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1435 | T1435-G1438 PolarHBondContact O-N 2.88Š|
| 1439 | I | 87.3 | Confident | 88.1 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | trans | -82.8 | 127.4 | 174 | -58 | 169.2 | 0 | 0 | 0 | 108.3 | T1434 T1435 K1437 E1466 | T1434-I1439 WeakPolarHBondContact CA-O 3.3Å; T1435-I1439 PolarHBondContact N-O 2.91Å; T1435-I1439 WeakPolarHBondContact OG1-CA 3.2Å; T1435-I1439 WeakPolarHBondContact OG1-CB 3.49Å; T1435-I1439 PolarHBondContact OG1-N 2.77Å; T1435-I1439 PolarHBondContact OG1-O 3.42Å; T1435-I1439 VanDerWaalsContact OG1-O 3.08Å; K1437-I1439 VanDerWaalsContact C-N 3.32Å; K1437-I1439 PolarHBondContact O-N 3.24Å; I1439-E1466 HydrophobicContact CD1-CB 3.89Å; I1439-E1466 HydrophobicContact CD1-CG 3.9Å | ||
| 1440 | E | 87.6 | Confident | 88.4 | Confident | 125 Ų | 125 | 60.5 Ų | 60.5 | 58% | 0.584 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.7 | 173.8 | -64.5 | -173.4 | 165.1 | 0 | 0 | 111.2 | T1432 L1433 T1434 | T1432-E1440 HydrophobicContact CG2-CB 4.18Å; T1432-E1440 HydrophobicContact CG2-CG 4.44Å; L1433-E1440 CarbonylContact O-C 3.4Å; L1433-E1440 VanDerWaalsContact O-CA 3.25Å; L1433-E1440 WeakPolarHBondContact O-CA 3.49Å; T1434-E1440 HydrophobicContact CG2-CG 4.15Å |
| 1441 | K | 88 | Confident | 88.4 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.6 | 174.6 | -84.3 | -175.1 | 173 | 172.2 | 0 | 110.8 | L1433 A1460 I1461 E1466 | L1433-K1441 HydrophobicContact CB-CB 4.5Å; L1433-K1441 WeakPolarHBondContact CB-O 3.24Å; L1433-K1441 PolarHBondContact N-O 2.87Å; L1433-K1441 PolarHBondContact O-N 3.04Å; K1441-A1460 WeakPolarHBondContact CD-O 3.32Å; K1441-A1460 PolarHBondContact NZ-O 2.89Å; K1441-A1460 VanDerWaalsContact NZ-O 3.17Å; K1441-I1461 HydrophobicContact CD-CG1 4.27Å; K1441-E1466 WeakPolarHBondContact CE-OE1 3.35Å; K1441-E1466 IonicContact NZ-OE1 2.67Å; K1441-E1466 PolarHBondContact NZ-OE1 3.05Å; K1441-E1466 IonicContact NZ-OE2 2.72Å; K1441-E1466 PolarHBondContact NZ-OE2 3.06Å |
| 1442 | E | 88.8 | Confident | 88.4 | Confident | 122 Ų | 122 | 61 Ų | 61 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 136 | 170.5 | -69.1 | -175.8 | -174.7 | 0 | 0 | 111.2 | K1430 L1431 | K1430-E1442 IonicContact NZ-OE2 2.74Å; L1431-E1442 CarbonylContact O-C 3.46Å; L1431-E1442 WeakPolarHBondContact O-CA 3.35Å |
| 1443 | I | 90.2 | Very high | 88.4 | Confident | 22 Ų | 22 | 63 Ų | 63 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.5 | 162.6 | 62.5 | 168.1 | 0 | 0 | 0 | 109.2 | L1381 L1383 A1389 K1430 L1431 L1433 A1460 | L1381-I1443 HydrophobicContact CD2-CD1 4.17Å; L1383-I1443 HydrophobicContact CD1-CD1 4.28Å; L1383-I1443 HydrophobicContact CD2-CD1 3.85Å; A1389-I1443 HydrophobicContact CB-CD1 4.44Å; K1430-I1443 CarbonylContact C-O 3.58Å; K1430-I1443 WeakPolarHBondContact CA-O 3.37Å; L1431-I1443 HydrophobicContact CB-CD1 4.41Å; L1431-I1443 HydrophobicContact CB-CG1 3.82Å; L1431-I1443 HydrophobicContact CD1-CD1 4.24Å; L1431-I1443 HydrophobicContact CD1-CG1 4.45Å; L1431-I1443 PolarHBondContact N-O 3.02Å; L1431-I1443 PolarHBondContact O-N 2.85Å; L1433-I1443 HydrophobicContact CD1-CB 4.49Å; L1433-I1443 HydrophobicContact CD1-CD1 4.09Å; L1433-I1443 HydrophobicContact CD1-CG1 4.09Å; L1433-I1443 HydrophobicContact CD1-CG2 3.64Å; L1433-I1443 HydrophobicContact CD2-CD1 4.27Å; L1433-I1443 HydrophobicContact CD2-CG1 4.5Å; L1433-I1443 HydrophobicContact CG-CD1 4.43Å; L1433-I1443 HydrophobicContact CG-CG1 4.26Å; I1443-A1460 HydrophobicContact CG2-CB 3.82Å |
| 1444 | E | 89.3 | Confident | 88 | Confident | 64 Ų | 64 | 68 Ų | 68 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.7 | 172.2 | -160.5 | -177.8 | 144.9 | 0 | 0 | 108.2 | K1430 S1446 K1447 | K1430-E1444 HydrophobicContact CG-CG 4.37Å; E1444-S1446 WeakPolarHBondContact CG-OG 3.36Å; E1444-S1446 PolarHBondContact O-N 3.27Å; E1444-S1446 PolarHBondContact OE1-OG 3.14Å; E1444-K1447 HydrophobicContact CB-CB 4.23Å; E1444-K1447 HydrophobicContact CB-CD 3.96Å; E1444-K1447 HydrophobicContact CB-CG 4.07Å; E1444-K1447 PolarHBondContact O-N 3.36Å; E1444-K1447 WeakPolarHBondContact OE2-CD 3.18Å; E1444-K1447 WeakPolarHBondContact OE2-CE 3.13Å; E1444-K1447 IonicContact OE2-NZ 3.42Å; E1444-K1447 PolarHBondContact OE2-NZ 3.28Å |
| 1445 | I | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -57.9 | -40.9 | -173.2 | -62.5 | 178.6 | 0 | 0 | 0 | 110.7 | L1381 R1391 T1424 E1426 G1429 L1431 K1447 V1448 | L1381-I1445 HydrophobicContact CB-CG2 4.41Å; L1381-I1445 HydrophobicContact CD2-CB 4.4Å; L1381-I1445 HydrophobicContact CD2-CG1 3.92Å; L1381-I1445 HydrophobicContact CD2-CG2 4.2Å; R1391-I1445 PolarHBondContact NH1-O 2.76Å; T1424-I1445 HydrophobicContact CG2-CD1 3.93Å; E1426-I1445 HydrophobicContact CB-CD1 4.24Å; E1426-I1445 WeakPolarHBondContact O-CG2 3.13Å; G1429-I1445 PolarHBondContact O-N 3.17Å; L1431-I1445 HydrophobicContact CD1-CD1 4.11Å; L1431-I1445 HydrophobicContact CD1-CG1 3.93Å; L1431-I1445 HydrophobicContact CD2-CD1 4.16Å; L1431-I1445 HydrophobicContact CG-CD1 3.97Å; L1431-I1445 HydrophobicContact CG-CG1 3.89Å; I1445-K1447 VanDerWaalsContact C-N 3.25Å; I1445-K1447 PolarHBondContact O-N 2.92Å; I1445-V1448 PolarHBondContact O-N 3.1Å |
| 1446 | S | 87.4 | Confident | 88 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -59.2 | -32.2 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | R1391 E1444 | R1391-S1446 PolarHBondContact NH1-O 3.09Å; R1391-S1446 VanDerWaalsContact NH1-O 3.14Å; E1444-S1446 WeakPolarHBondContact CG-OG 3.36Å; E1444-S1446 PolarHBondContact O-N 3.27Å; E1444-S1446 PolarHBondContact OE1-OG 3.14Å |
| 1447 | K | 88.8 | Confident | 88.2 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -85.2 | -13.9 | -174.8 | -71.1 | -178.5 | 175.9 | 151 | 0 | 114.2 | E1444 I1445 A1449 | E1444-K1447 HydrophobicContact CB-CB 4.23Å; E1444-K1447 HydrophobicContact CB-CD 3.96Å; E1444-K1447 HydrophobicContact CB-CG 4.07Å; E1444-K1447 PolarHBondContact O-N 3.36Å; E1444-K1447 WeakPolarHBondContact OE2-CD 3.18Å; E1444-K1447 WeakPolarHBondContact OE2-CE 3.13Å; E1444-K1447 IonicContact OE2-NZ 3.42Å; E1444-K1447 PolarHBondContact OE2-NZ 3.28Å; I1445-K1447 VanDerWaalsContact C-N 3.25Å; I1445-K1447 PolarHBondContact O-N 2.92Å; K1447-A1449 PolarHBondContact O-N 3.27Å |
| 1448 | V | 88.6 | Confident | 88.3 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 9% | 0.085 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -75.4 | 115 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | L1381 A1389 R1391 I1445 | L1381-V1448 HydrophobicContact CD1-CB 3.95Å; L1381-V1448 HydrophobicContact CD1-CG1 3.82Å; L1381-V1448 HydrophobicContact CD1-CG2 3.96Å; A1389-V1448 HydrophobicContact CB-CG1 4.3Å; A1389-V1448 HydrophobicContact CB-CG2 4.39Å; R1391-V1448 HydrophobicContact CB-CB 4.18Å; R1391-V1448 HydrophobicContact CB-CG1 3.83Å; R1391-V1448 WeakPolarHBondContact CD-O 3.43Å; I1445-V1448 PolarHBondContact O-N 3.1Å |
| 1449 | A | 87.9 | Confident | 88.6 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 63% | 0.628 | 36% | 0.361 | S | S | * | . | trans | -63 | 140.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1447 S1451 | K1447-A1449 PolarHBondContact O-N 3.27Å; A1449-S1451 PolarHBondContact O-N 2.98Å | ||
| 1450 | I | 90.2 | Very high | 88.6 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 133.5 | 173 | -61.9 | 175.3 | 0 | 0 | 0 | 108.6 | P1379 R1391 L1393 | P1379-I1450 HydrophobicContact CB-CD1 4.41Å; R1391-I1450 HydrophobicContact CG-CG1 4.25Å; R1391-I1450 CarbonylContact O-C 3.45Å; R1391-I1450 WeakPolarHBondContact O-CA 2.97Å; L1393-I1450 HydrophobicContact CD2-CD1 4.14Å; L1393-I1450 HydrophobicContact CG-CG2 4.23Å |
| 1451 | S | 89.5 | Confident | 88.6 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | trans | -134.8 | 159.6 | -179 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | R1391 M1392 A1449 S1455 | R1391-S1451 PolarHBondContact O-N 3.14Å; R1391-S1451 PolarHBondContact O-OG 3.36Å; R1391-S1451 VanDerWaalsContact O-OG 3.12Å; M1392-S1451 WeakPolarHBondContact CB-O 3.26Å; A1449-S1451 PolarHBondContact O-N 2.98Å; S1451-S1455 WeakPolarHBondContact CB-OG 3.4Å; S1451-S1455 PolarHBondContact OG-OG 2.87Å | ||
| 1452 | D | 89 | Confident | 88.5 | Confident | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | trans | -63.9 | 163.7 | 177.8 | 71.7 | 40 | 0 | 0 | 0 | 112.4 | K1390 I1454 S1455 | K1390-D1452 WeakPolarHBondContact CE-O 3.38Å; K1390-D1452 PolarHBondContact NZ-O 2.81Å; D1452-I1454 VanDerWaalsContact C-N 3.25Å; D1452-I1454 PolarHBondContact O-N 2.86Å; D1452-I1454 WeakPolarHBondContact OD1-CA 3.33Å; D1452-I1454 PolarHBondContact OD1-N 3.21Å; D1452-S1455 PolarHBondContact O-N 3.15Å; D1452-S1455 PolarHBondContact O-OG 2.99Å; D1452-S1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-S1455 PolarHBondContact OD1-N 3.37Å | ||
| 1453 | R | 87.6 | Confident | 88.3 | Confident | 58 Ų | 58 | 56 Ų | 56 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | 178.5 | -176.2 | -163.2 | 64.4 | 164.6 | -2.3 | 114.9 | K1390 M1392 E1396 L1397 L1407 M1408 I1409 | K1390-R1453 PolarHBondContact NZ-O 3.32Å; M1392-R1453 HydrophobicContact CE-CG 4.42Å; M1392-R1453 HydrophobicContact SD-CG 4.45Å; E1396-R1453 HydrophobicContact CB-CB 3.94Å; E1396-R1453 PolarHBondContact OE2-N 3.5Å; L1397-R1453 VanDerWaalsContact CD2-CD 3.47Å; L1397-R1453 HydrophobicContact CD2-CG 4.36Å; L1407-R1453 VanDerWaalsContact CB-NH1 3.27Å; M1408-R1453 WeakPolarHBondContact O-CD 3.49Å; M1408-R1453 WeakPolarHBondContact O-CG 3.28Å; I1409-R1453 CarbonylContact C-O 3.58Å |
| 1454 | I | 82.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.3 | -175.6 | -43.2 | 179.6 | 0 | 0 | 0 | 111.5 | R1411 D1452 | R1411-I1454 HydrophobicContact CB-CG2 4.4Å; R1411-I1454 VanDerWaalsContact CB-O 3.24Å; R1411-I1454 WeakPolarHBondContact CB-O 3.33Å; D1452-I1454 VanDerWaalsContact C-N 3.25Å; D1452-I1454 PolarHBondContact O-N 2.86Å; D1452-I1454 WeakPolarHBondContact OD1-CA 3.33Å; D1452-I1454 PolarHBondContact OD1-N 3.21Å |
| 1455 | S | 89.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | trans | -68 | 158.4 | 174.1 | 95.9 | 0 | 0 | 0 | 0 | 111.3 | K1390 S1451 D1452 G1457 | K1390-S1455 PolarHBondContact NZ-O 2.75Å; S1451-S1455 WeakPolarHBondContact CB-OG 3.4Å; S1451-S1455 PolarHBondContact OG-OG 2.87Å; D1452-S1455 PolarHBondContact O-N 3.15Å; D1452-S1455 PolarHBondContact O-OG 2.99Å; D1452-S1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-S1455 PolarHBondContact OD1-N 3.37Å; S1455-G1457 PolarHBondContact OG-N 3.29Å | ||
| 1456 | N | 89.2 | Confident | 87.8 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | trans | -99.9 | 12.1 | 168.8 | -73.3 | -21.1 | 0 | 0 | 0 | 113.3 | A1388 F1410 R1411 H1418 | A1388-N1456 VanDerWaalsContact CB-O 3.3Å; A1388-N1456 WeakPolarHBondContact CB-O 3.22Å; F1410-N1456 HydrophobicContact CD1-CB 4.21Å; F1410-N1456 WeakPolarHBondContact CE1-O 3.4Å; R1411-N1456 PolarHBondContact N-OD1 3.08Å; R1411-N1456 PolarHBondContact O-ND2 2.95Å; R1411-N1456 PolarHBondContact O-OD1 2.78Å; H1418-N1456 PolarHBondContact CD2-ND2 3.37Å | ||
| 1457 | G | 89.2 | Confident | 87.8 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | trans | 64.6 | -162.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1389 S1455 | A1389-G1457 CarbonylContact O-C 3.49Å; A1389-G1457 WeakPolarHBondContact O-CA 3.43Å; S1455-G1457 PolarHBondContact OG-N 3.29Å | ||
| 1458 | T | 90.1 | Very high | 87.8 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137 | 179.3 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | A1389 A1460 | A1389-T1458 PolarHBondContact N-O 2.8Å; A1389-T1458 PolarHBondContact O-N 3.14Å; A1389-T1458 PolarHBondContact O-OG1 2.84Å; T1458-A1460 PolarHBondContact O-N 2.82Å |
| 1459 | F | 89.6 | Confident | 87.9 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 47% | 0.469 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115 | 175.9 | -72.9 | -88.4 | 0 | 0 | 0 | 110.7 | R1386 A1388 H1418 | R1386-F1459 HydrophobicContact CB-CE1 4.11Å; R1386-F1459 WeakPolarHBondContact O-CD1 3.33Å; R1386-F1459 WeakPolarHBondContact O-CE1 3.28Å; A1388-F1459 HydrophobicContact CB-CD1 4.1Å; A1388-F1459 HydrophobicContact CB-CE1 4.01Å; A1388-F1459 HydrophobicContact CB-CG 4.49Å; A1388-F1459 HydrophobicContact CB-CZ 4.32Å; H1418-F1459 AromaticContact CE1-CE1 3.9Å; H1418-F1459 AromaticContact CE1-CZ 3.6Å |
| 1460 | A | 87.4 | Confident | 87.8 | Confident | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.7 | -28 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1387 A1389 L1433 K1441 I1443 T1458 | G1387-A1460 PolarHBondContact O-N 3.06Å; A1389-A1460 HydrophobicContact CB-CB 4.27Å; L1433-A1460 HydrophobicContact CD1-CB 3.71Å; K1441-A1460 WeakPolarHBondContact CD-O 3.32Å; K1441-A1460 PolarHBondContact NZ-O 2.89Å; K1441-A1460 VanDerWaalsContact NZ-O 3.17Å; I1443-A1460 HydrophobicContact CG2-CB 3.82Å; T1458-A1460 PolarHBondContact O-N 2.82Å |
| 1461 | I | 87.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -126.5 | 140.1 | -179.4 | -63.3 | 154.7 | 0 | 0 | 0 | 109.3 | G1387 L1433 T1435 K1441 E1463 E1466 L1469 | G1387-I1461 PolarHBondContact O-N 3.46Å; L1433-I1461 HydrophobicContact CB-CD1 3.9Å; L1433-I1461 HydrophobicContact CD1-CD1 3.97Å; L1433-I1461 HydrophobicContact CD1-CG1 4.31Å; T1435-I1461 HydrophobicContact CG2-CB 4.46Å; T1435-I1461 HydrophobicContact CG2-CD1 3.76Å; T1435-I1461 HydrophobicContact CG2-CG1 4.02Å; T1435-I1461 HydrophobicContact CG2-CG2 3.56Å; K1441-I1461 HydrophobicContact CD-CG1 4.27Å; I1461-E1463 PolarHBondContact O-N 2.91Å; I1461-E1466 VanDerWaalsContact CA-OE2 3.25Å; I1461-E1466 WeakPolarHBondContact CA-OE2 3.49Å; I1461-E1466 HydrophobicContact CG2-CB 3.7Å; I1461-E1466 VanDerWaalsContact CG2-OE2 3.3Å; I1461-E1466 WeakPolarHBondContact CG2-OE2 3.3Å; I1461-L1469 HydrophobicContact CD1-CB 4.38Å; I1461-L1469 HydrophobicContact CD1-CD1 3.7Å |
| 1462 | D | 86.6 | Confident | 87.5 | Confident | 63 Ų | 63 | 64 Ų | 64 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | trans | -87.7 | 96.9 | 167.7 | -178.8 | -13.6 | 0 | 0 | 0 | 109.5 | K1464 Q1465 E1466 | D1462-K1464 PolarHBondContact O-N 3.17Å; D1462-K1464 PolarHBondContact OD1-N 2.81Å; D1462-Q1465 HydrophobicContact CB-CB 4.21Å; D1462-Q1465 PolarHBondContact O-N 3.35Å; D1462-Q1465 PolarHBondContact OD1-N 3.48Å; D1462-Q1465 VanDerWaalsContact OD2-CD 3.31Å; D1462-Q1465 WeakPolarHBondContact OD2-CG 3.25Å; D1462-Q1465 PolarHBondContact OD2-NE2 2.77Å; D1462-E1466 PolarHBondContact N-OE2 3.01Å; D1462-E1466 WeakPolarHBondContact O-CB 3.27Å; D1462-E1466 PolarHBondContact O-N 3.48Å | ||
| 1463 | E | 84.6 | Confident | 87.1 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -43.8 | -38.3 | 179.3 | -175.2 | -167.3 | 167.8 | 0 | 0 | 114.1 | R1386 N1416 I1461 G1467 E1468 | R1386-E1463 WeakPolarHBondContact CB-OE2 3.38Å; R1386-E1463 VanDerWaalsContact CG-OE2 3.28Å; R1386-E1463 WeakPolarHBondContact CG-OE2 3.44Å; R1386-E1463 IonicContact CZ-OE2 3.1Å; R1386-E1463 IonicContact NE-OE2 2.77Å; R1386-E1463 PolarHBondContact NE-OE2 3.48Å; R1386-E1463 IonicContact NH2-OE2 2.71Å; N1416-E1463 PolarHBondContact ND2-OE1 2.85Å; N1416-E1463 PolarHBondContact ND2-OE2 3.22Å; I1461-E1463 PolarHBondContact O-N 2.91Å; E1463-G1467 WeakPolarHBondContact CA-O 3.21Å; E1463-G1467 CarbonylContact O-C 3.55Å; E1463-G1467 VanDerWaalsContact O-CA 3.23Å; E1463-G1467 WeakPolarHBondContact O-CA 3.48Å; E1463-G1467 PolarHBondContact O-N 3.08Å; E1463-E1468 HydrophobicContact CG-CG 4.07Å |
| 1464 | K | 84.9 | Confident | 86.8 | Confident | 183 Ų | 183 | 62.7 Ų | 62.7 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75 | -42 | -177.2 | -66.4 | -178.2 | -179.2 | 176 | 0 | 111.8 | K1437 D1462 | K1437-K1464 PolarHBondContact NZ-O 2.74Å; D1462-K1464 PolarHBondContact O-N 3.17Å; D1462-K1464 PolarHBondContact OD1-N 2.81Å |
| 1465 | Q | 86.2 | Confident | 86.2 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -83.6 | -40.2 | -176.8 | -66.8 | -173.5 | 43.5 | 0 | 0 | 111.9 | K1437 D1462 | K1437-Q1465 PolarHBondContact NZ-O 3.21Å; D1462-Q1465 HydrophobicContact CB-CB 4.21Å; D1462-Q1465 PolarHBondContact O-N 3.35Å; D1462-Q1465 PolarHBondContact OD1-N 3.48Å; D1462-Q1465 VanDerWaalsContact OD2-CD 3.31Å; D1462-Q1465 WeakPolarHBondContact OD2-CG 3.25Å; D1462-Q1465 PolarHBondContact OD2-NE2 2.77Å |
| 1466 | E | 86.6 | Confident | 85.3 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -107.3 | -15.4 | -166.7 | -60 | 174.6 | 160.2 | 0 | 0 | 112.3 | T1435 K1437 I1439 K1441 I1461 D1462 | T1435-E1466 VanDerWaalsContact CB-O 3.27Å; T1435-E1466 WeakPolarHBondContact CB-O 3.41Å; T1435-E1466 HydrophobicContact CG2-CB 4.29Å; T1435-E1466 PolarHBondContact OG1-O 3Å; T1435-E1466 VanDerWaalsContact OG1-O 3.14Å; K1437-E1466 VanDerWaalsContact CB-O 3.29Å; K1437-E1466 WeakPolarHBondContact CB-O 3.25Å; K1437-E1466 WeakPolarHBondContact CD-O 3.34Å; K1437-E1466 VanDerWaalsContact CG-O 3.26Å; K1437-E1466 WeakPolarHBondContact CG-O 3.37Å; I1439-E1466 HydrophobicContact CD1-CB 3.89Å; I1439-E1466 HydrophobicContact CD1-CG 3.9Å; K1441-E1466 WeakPolarHBondContact CE-OE1 3.35Å; K1441-E1466 IonicContact NZ-OE1 2.67Å; K1441-E1466 PolarHBondContact NZ-OE1 3.05Å; K1441-E1466 IonicContact NZ-OE2 2.72Å; K1441-E1466 PolarHBondContact NZ-OE2 3.06Å; I1461-E1466 VanDerWaalsContact CA-OE2 3.25Å; I1461-E1466 WeakPolarHBondContact CA-OE2 3.49Å; I1461-E1466 HydrophobicContact CG2-CB 3.7Å; I1461-E1466 VanDerWaalsContact CG2-OE2 3.3Å; I1461-E1466 WeakPolarHBondContact CG2-OE2 3.3Å; D1462-E1466 PolarHBondContact N-OE2 3.01Å; D1462-E1466 WeakPolarHBondContact O-CB 3.27Å; D1462-E1466 PolarHBondContact O-N 3.48Å |
| 1467 | G | 87.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | trans | 92 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1463 | E1463-G1467 WeakPolarHBondContact CA-O 3.21Å; E1463-G1467 CarbonylContact O-C 3.55Å; E1463-G1467 VanDerWaalsContact O-CA 3.23Å; E1463-G1467 WeakPolarHBondContact O-CA 3.48Å; E1463-G1467 PolarHBondContact O-N 3.08Å | ||
| 1468 | E | 89.6 | Confident | 83.5 | Confident | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -73.5 | 157.1 | 178.5 | -69 | -177.1 | -178.1 | 0 | 0 | 110.7 | Q1385 T1435 T1436 E1463 F1470 | Q1385-E1468 WeakPolarHBondContact O-CA 3.26Å; T1435-E1468 CarbonylContact C-O 3.59Å; T1435-E1468 WeakPolarHBondContact CA-O 3.43Å; T1436-E1468 HydrophobicContact CG2-CB 4.09Å; T1436-E1468 PolarHBondContact N-O 3.03Å; T1436-E1468 PolarHBondContact OG1-N 3.45Å; E1463-E1468 HydrophobicContact CG-CG 4.07Å; E1468-F1470 PolarHBondContact O-N 3.01Å |
| 1469 | L | 90.2 | Very high | 82.1 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 120.5 | 172.9 | -179.8 | 63.9 | 0 | 0 | 0 | 109.1 | L1383 Q1385 A1421 L1433 I1461 S1471 V1472 | L1383-L1469 HydrophobicContact CB-CD2 3.88Å; L1383-L1469 HydrophobicContact CD1-CD2 4.5Å; Q1385-L1469 PolarHBondContact O-N 2.77Å; A1421-L1469 HydrophobicContact CB-CD2 4.05Å; L1433-L1469 HydrophobicContact CB-CD1 3.85Å; L1433-L1469 HydrophobicContact CD2-CD1 3.87Å; L1433-L1469 HydrophobicContact CD2-CD2 4.47Å; L1433-L1469 HydrophobicContact CG-CD1 4.42Å; I1461-L1469 HydrophobicContact CD1-CB 4.38Å; I1461-L1469 HydrophobicContact CD1-CD1 3.7Å; L1469-S1471 WeakPolarHBondContact CD1-O 3.45Å; L1469-V1472 HydrophobicContact CD1-CG2 4.03Å; L1469-V1472 HydrophobicContact CD2-CG2 3.76Å; L1469-V1472 HydrophobicContact CG-CG2 4.16Å |
| 1470 | F | 86.2 | Confident | 80.5 | Confident | 151 Ų | 151 | 76.7 Ų | 76.7 | 66% | 0.662 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -47.8 | -176.8 | 176.6 | -103.6 | 0 | 0 | 0 | 111.9 | T1434 T1436 E1468 | T1434-F1470 WeakPolarHBondContact O-CA 3.23Å; T1434-F1470 WeakPolarHBondContact O-CB 3.4Å; T1434-F1470 PolarHBondContact O-N 3.14Å; T1436-F1470 HydrophobicContact CG2-CB 4.1Å; T1436-F1470 HydrophobicContact CG2-CD2 4.39Å; E1468-F1470 PolarHBondContact O-N 3.01Å |
| 1471 | S | 86.2 | Confident | 78.3 | Confident | 40 Ų | 40 | 86.4 Ų | 86.4 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 157.8 | 177 | 65.2 | 0 | 0 | 0 | 0 | 112 | T1434 L1469 | T1434-S1471 WeakPolarHBondContact CB-OG 3.29Å; T1434-S1471 PolarHBondContact N-O 2.92Å; T1434-S1471 PolarHBondContact O-N 3.49Å; L1469-S1471 WeakPolarHBondContact CD1-O 3.45Å |
| 1472 | V | 86 | Confident | 77.8 | Confident | 27 Ų | 27 | 90.6 Ų | 90.6 | 16% | 0.164 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.6 | 174.9 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | L1383 Y1422 L1431 T1432 L1433 L1469 | L1383-V1472 HydrophobicContact CD1-CB 4.5Å; L1383-V1472 HydrophobicContact CD1-CG1 3.92Å; L1383-V1472 HydrophobicContact CD1-CG2 3.77Å; Y1422-V1472 HydrophobicContact CD1-CB 4.25Å; Y1422-V1472 HydrophobicContact CD1-CG1 3.81Å; Y1422-V1472 HydrophobicContact CD1-CG2 4.45Å; Y1422-V1472 HydrophobicContact CD2-CB 3.68Å; Y1422-V1472 HydrophobicContact CD2-CG1 3.96Å; Y1422-V1472 HydrophobicContact CD2-CG2 4.24Å; Y1422-V1472 HydrophobicContact CE1-CG1 3.87Å; Y1422-V1472 HydrophobicContact CE2-CB 4.11Å; Y1422-V1472 HydrophobicContact CE2-CG1 4.03Å; Y1422-V1472 HydrophobicContact CG-CB 3.75Å; Y1422-V1472 HydrophobicContact CG-CG1 3.84Å; Y1422-V1472 HydrophobicContact CG-CG2 3.88Å; L1431-V1472 HydrophobicContact CB-CG1 4.03Å; L1431-V1472 HydrophobicContact CD1-CG1 4.15Å; L1431-V1472 HydrophobicContact CD2-CG1 4.27Å; L1431-V1472 HydrophobicContact CG-CG1 4.39Å; T1432-V1472 WeakPolarHBondContact O-CA 3.34Å; L1433-V1472 HydrophobicContact CD2-CB 4.48Å; L1433-V1472 HydrophobicContact CD2-CG1 4.08Å; L1433-V1472 HydrophobicContact CD2-CG2 3.82Å; L1469-V1472 HydrophobicContact CD1-CG2 4.03Å; L1469-V1472 HydrophobicContact CD2-CG2 3.76Å; L1469-V1472 HydrophobicContact CG-CG2 4.16Å |
| 1473 | M | 82 | Confident | 77.4 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 34% | 0.34 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.4 | 178.7 | -65.8 | -174.8 | -69.2 | 0 | 0 | 109.8 | L1431 T1432 | L1431-M1473 CarbonylContact C-O 3.6Å; L1431-M1473 VanDerWaalsContact CA-O 3.31Å; L1431-M1473 WeakPolarHBondContact CA-O 3.5Å; T1432-M1473 PolarHBondContact N-O 2.67Å; T1432-M1473 PolarHBondContact O-N 2.72Å |
| 1474 | Q | 80.2 | Confident | 77 | Confident | 49 Ų | 49 | 95.1 Ų | 95.1 | 23% | 0.229 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.6 | 170 | -174.6 | 159.2 | 4.8 | 0 | 0 | 108.3 | E1426 L1431 Q1476 | E1426-Q1474 PolarHBondContact OE1-OE1 3.41Å; E1426-Q1474 PolarHBondContact OE2-NE2 2.79Å; E1426-Q1474 PolarHBondContact OE2-OE1 3.47Å; L1431-Q1474 HydrophobicContact CD2-CB 3.69Å; L1431-Q1474 HydrophobicContact CD2-CG 3.99Å; Q1474-Q1476 PolarHBondContact O-N 3.48Å |
| 1475 | L | 70.3 | Confident | 76.5 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 63% | 0.634 | 44% | 0.438 | S | S | * | . | trans | -70.2 | 122.1 | 176.1 | -104.2 | 138.4 | 0 | 0 | 0 | 109.1 | ||||
| 1476 | Q | 71.5 | Confident | 75.9 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | trans | -88 | 129.2 | 167.5 | -71.3 | -148.2 | 2.1 | 0 | 0 | 110.1 | I1205 I1206 I1208 Q1474 | I1205-Q1476 HydrophobicContact CG2-CB 4.32Å; I1206-Q1476 VanDerWaalsContact O-CD 3.27Å; I1206-Q1476 PolarHBondContact O-NE2 3.25Å; I1206-Q1476 PolarHBondContact O-OE1 3.06Å; I1208-Q1476 HydrophobicContact CG2-CB 4.3Å; Q1474-Q1476 PolarHBondContact O-N 3.48Å | ||
| 1477 | E | 70.5 | Confident | 75.2 | Confident | 169 Ų | 169 | 90.3 Ų | 90.3 | 79% | 0.79 | 44% | 0.442 | S | S | * | . | trans | -105.2 | 152.9 | 173.6 | -64.9 | -176.7 | 172 | 0 | 0 | 109.2 | D1479 | E1477-D1479 PolarHBondContact O-N 3.35Š| ||
| 1478 | L | 70.5 | Confident | 74.3 | Confident | 33 Ų | 33 | 96.4 Ų | 96.4 | 17% | 0.173 | 47% | 0.469 | C | S | . | . | trans | -63.8 | 125.4 | 172.8 | -179 | 76.7 | 0 | 0 | 0 | 107.8 | I1172 Y1189 I1208 E1480 | I1172-L1478 HydrophobicContact CD1-CD1 4.41Å; I1172-L1478 HydrophobicContact CD1-CD2 4.45Å; I1172-L1478 HydrophobicContact CG2-CD1 4.15Å; Y1189-L1478 HydrophobicContact CE1-CD2 4.15Å; Y1189-L1478 HydrophobicContact CE2-CD2 4.23Å; Y1189-L1478 VanDerWaalsContact OH-CD2 3.22Å; Y1189-L1478 WeakPolarHBondContact OH-CD2 3.35Å; I1208-L1478 HydrophobicContact CD1-CB 4.05Å; I1208-L1478 HydrophobicContact CD1-CD1 4.29Å; I1208-L1478 HydrophobicContact CG1-CB 4.13Å; I1208-L1478 HydrophobicContact CG1-CD1 3.62Å; I1208-L1478 HydrophobicContact CG1-CG 4.49Å; L1478-E1480 PolarHBondContact O-N 2.74Å; L1478-E1480 VanDerWaalsContact O-N 3.13Å | ||
| 1479 | D | 60.6 | Low | 73.1 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | trans | -62.7 | 113.8 | 169.3 | -157.8 | -7.6 | 0 | 0 | 0 | 108.3 | E1477 E1481 | E1477-D1479 PolarHBondContact O-N 3.35Å; D1479-E1481 VanDerWaalsContact C-N 3.3Å; D1479-E1481 PolarHBondContact OD1-N 2.88Å | ||
| 1480 | E | 54.7 | Low | 71.7 | Confident | 180 Ų | 180 | 104.1 Ų | 104.1 | 84% | 0.841 | 51% | 0.507 | S | S | * | . | trans | -83.8 | -7.9 | 179.1 | -70.8 | -166.1 | 162.6 | 0 | 0 | 112.3 | L1478 | L1478-E1480 PolarHBondContact O-N 2.74Å; L1478-E1480 VanDerWaalsContact O-N 3.13Å | ||
| 1481 | E | 41.6 | Very low | 70.4 | Confident | 228 Ų | 228 | 99.8 Ų | 99.8 | 100% | 1.065 | 49% | 0.493 | S | S | * | . | trans | -79 | 0 | 170.5 | -65.3 | -166.6 | 166.2 | 0 | 0 | 112.2 | D1479 | D1479-E1481 VanDerWaalsContact C-N 3.3Å; D1479-E1481 PolarHBondContact OD1-N 2.88Å |
Retrieved 1,481 of 1,481 residues in 1163.2 ms
(Link to these results)