| 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 | 55.9 | Low | 73.5 | Confident | 213 Ų | 213 | 128.8 Ų | 128.8 | 100% | 1.049 | 61% | 0.608 | S | S | * | * | 0 | -101.4 | 0 | -53.8 | -32.7 | -164.2 | 0 | 0 | 110.8 | R3 L4 | M1-R3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.98Å | |||
| 2 | G | 71.6 | Confident | 73.5 | Confident | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -39.3 | -48.2 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | L4 W5 W6 | G2-L4 PolarHBondContact O-N 3.13Å; G2-L4 VanDerWaalsContact O-N 3.17Å; G2-W5 WeakPolarHBondContact O-CB 3.49Å; G2-W5 PolarHBondContact O-N 3.17Å; G2-W5 VanDerWaalsContact O-N 3.13Å; G2-W6 PolarHBondContact O-N 3.14Å; G2-W6 VanDerWaalsContact O-N 3.14Å |
| 3 | R | 72.8 | Confident | 73.7 | Confident | 230 Ų | 230 | 124.4 Ų | 124.4 | 87% | 0.868 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -24 | 179.6 | -74.9 | -168.9 | 177.6 | -167.9 | -1.4 | 115.1 | M1 I7 | M1-R3 PolarHBondContact O-N 2.91Å; R3-I7 WeakPolarHBondContact O-CD1 3.16Å; R3-I7 WeakPolarHBondContact O-CG1 3.5Å |
| 4 | L | 71.5 | Confident | 73.4 | Confident | 115 Ų | 115 | 122.7 Ų | 122.7 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.4 | -34.1 | 176.8 | -164.1 | 73.3 | 0 | 0 | 0 | 111.8 | M1 G2 I7 L8 | M1-L4 PolarHBondContact O-N 2.98Å; G2-L4 PolarHBondContact O-N 3.13Å; G2-L4 VanDerWaalsContact O-N 3.17Å; L4-I7 PolarHBondContact O-N 3.16Å; L4-L8 PolarHBondContact O-N 2.86Å |
| 5 | W | 74.6 | Confident | 72.9 | Confident | 188 Ų | 188 | 118.5 Ų | 118.5 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.2 | -47.9 | 173.8 | -122.2 | 54.2 | 0 | 0 | 0 | 110.4 | G2 I7 L8 D9 | G2-W5 WeakPolarHBondContact O-CB 3.49Å; G2-W5 PolarHBondContact O-N 3.17Å; G2-W5 VanDerWaalsContact O-N 3.13Å; W5-I7 PolarHBondContact O-N 3.37Å; W5-I7 VanDerWaalsContact O-N 3.16Å; W5-L8 CarbonylContact O-C 3.6Å; W5-L8 WeakPolarHBondContact O-CA 3.18Å; W5-L8 WeakPolarHBondContact O-CB 3.47Å; W5-L8 PolarHBondContact O-N 3.2Å; W5-D9 PolarHBondContact O-N 2.95Å |
| 6 | W | 77.8 | Confident | 72.4 | Confident | 176 Ų | 176 | 117.7 Ų | 117.7 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.2 | -30.7 | 177.5 | -164.7 | 71.8 | 0 | 0 | 0 | 113.7 | G2 L10 | G2-W6 PolarHBondContact O-N 3.14Å; G2-W6 VanDerWaalsContact O-N 3.14Å; W6-L10 HydrophobicContact CH2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.31Å; W6-L10 WeakPolarHBondContact O-CB 3.47Å; W6-L10 PolarHBondContact O-N 3.07Å |
| 7 | I | 79.4 | Confident | 71.6 | Confident | 93 Ų | 93 | 117.9 Ų | 117.9 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.7 | -37.7 | 174.2 | -67.5 | 165.7 | 0 | 0 | 0 | 111.2 | R3 L4 W5 F11 | R3-I7 WeakPolarHBondContact O-CD1 3.16Å; R3-I7 WeakPolarHBondContact O-CG1 3.5Å; L4-I7 PolarHBondContact O-N 3.16Å; W5-I7 PolarHBondContact O-N 3.37Å; W5-I7 VanDerWaalsContact O-N 3.16Å; I7-F11 WeakPolarHBondContact O-CB 3.37Å; I7-F11 PolarHBondContact O-N 3.22Å |
| 8 | L | 74.5 | Confident | 70.4 | Confident | 94 Ų | 94 | 116.9 Ų | 116.9 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -42.2 | 176 | -72.6 | 165.8 | 0 | 0 | 0 | 111.9 | L4 W5 F11 L12 | L4-L8 PolarHBondContact O-N 2.86Å; W5-L8 CarbonylContact O-C 3.6Å; W5-L8 WeakPolarHBondContact O-CA 3.18Å; W5-L8 WeakPolarHBondContact O-CB 3.47Å; W5-L8 PolarHBondContact O-N 3.2Å; L8-F11 PolarHBondContact O-N 3.43Å; L8-L12 PolarHBondContact O-N 2.97Å |
| 9 | D | 77.2 | Confident | 69.2 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 34% | 0.342 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.8 | -47 | 171.9 | -70.7 | -40.8 | 0 | 0 | 0 | 110.7 | W5 F11 L12 I13 | W5-D9 PolarHBondContact O-N 2.95Å; D9-F11 VanDerWaalsContact C-N 3.31Å; D9-F11 PolarHBondContact O-N 3.14Å; D9-L12 PolarHBondContact O-N 2.84Å; D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.21Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 2.94Å |
| 10 | L | 78.2 | Confident | 68 | Low | 75 Ų | 75 | 118.1 Ų | 118.1 | 39% | 0.393 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.1 | -38.3 | 176.9 | -169.7 | 69.6 | 0 | 0 | 0 | 111.8 | W6 I13 L14 | W6-L10 HydrophobicContact CH2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.31Å; W6-L10 WeakPolarHBondContact O-CB 3.47Å; W6-L10 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 3.19Å; L10-L14 HydrophobicContact CD1-CD1 4.17Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.91Å |
| 11 | F | 74.7 | Confident | 66.8 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 175.2 | -124.4 | -86.8 | 0 | 0 | 0 | 112.3 | I7 L8 D9 I13 L14 T15 L498 | I7-F11 WeakPolarHBondContact O-CB 3.37Å; I7-F11 PolarHBondContact O-N 3.22Å; L8-F11 PolarHBondContact O-N 3.43Å; D9-F11 VanDerWaalsContact C-N 3.31Å; D9-F11 PolarHBondContact O-N 3.14Å; F11-I13 VanDerWaalsContact C-N 3.34Å; F11-L14 PolarHBondContact O-N 3.17Å; F11-T15 HydrophobicContact CD1-CG2 4.32Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 2.94Å; F11-T15 PolarHBondContact O-OG1 3.43Å; F11-L498 HydrophobicContact CE1-CD1 4.15Å; F11-L498 HydrophobicContact CE1-CD2 4.13Å |
| 12 | L | 74.2 | Confident | 66.2 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.8 | -41.5 | 173.7 | -86.1 | 163.6 | 0 | 0 | 0 | 111.8 | L8 D9 T15 V16 | L8-L12 PolarHBondContact O-N 2.97Å; D9-L12 PolarHBondContact O-N 2.84Å; L12-T15 PolarHBondContact O-N 2.93Å; L12-T15 PolarHBondContact O-OG1 2.83Å; L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 3.3Å |
| 13 | I | 75.5 | Confident | 64.8 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.9 | -44.2 | 175.2 | -71.7 | 164.4 | 0 | 0 | 0 | 110.2 | D9 L10 F11 N17 | D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.21Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 2.94Å; L10-I13 PolarHBondContact O-N 3.19Å; F11-I13 VanDerWaalsContact C-N 3.34Å; I13-N17 VanDerWaalsContact O-CB 3.3Å; I13-N17 WeakPolarHBondContact O-CB 3.35Å; I13-N17 PolarHBondContact O-N 3.26Å; I13-N17 PolarHBondContact O-ND2 3.38Å |
| 14 | L | 69.7 | Low | 63 | Low | 101 Ų | 101 | 111.3 Ų | 111.3 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.9 | -44.5 | 175.3 | -93.2 | 81.4 | 0 | 0 | 0 | 112.5 | L10 F11 V16 N17 C18 | L10-L14 HydrophobicContact CD1-CD1 4.17Å; L10-L14 HydrophobicContact CG-CD1 4.07Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.91Å; F11-L14 PolarHBondContact O-N 3.17Å; L14-V16 VanDerWaalsContact C-N 3.31Å; L14-V16 PolarHBondContact O-N 3.04Å; L14-N17 PolarHBondContact O-N 2.9Å; L14-C18 VanDerWaalsContact O-CB 3.27Å; L14-C18 WeakPolarHBondContact O-CB 3.4Å; L14-C18 PolarHBondContact O-N 3.4Å; L14-C18 PolarHBondContact O-SG 3.28Å; L14-C18 VanDerWaalsContact O-SG 3.33Å |
| 15 | T | 65.9 | Low | 61.4 | Low | 59 Ų | 59 | 115 Ų | 115 | 36% | 0.362 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -26.4 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | F11 L12 L498 | F11-T15 HydrophobicContact CD1-CG2 4.32Å; F11-T15 WeakPolarHBondContact O-CG2 3.33Å; F11-T15 PolarHBondContact O-N 2.94Å; F11-T15 PolarHBondContact O-OG1 3.43Å; L12-T15 PolarHBondContact O-N 2.93Å; L12-T15 PolarHBondContact O-OG1 2.83Å; T15-L498 HydrophobicContact CG2-CD2 4.09Å |
| 16 | V | 65.6 | Low | 59.6 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86 | -33.7 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | L12 L14 | L12-V16 WeakPolarHBondContact O-CB 3.17Å; L12-V16 VanDerWaalsContact O-CG2 3.27Å; L12-V16 WeakPolarHBondContact O-CG2 3.45Å; L12-V16 PolarHBondContact O-N 3.3Å; L14-V16 VanDerWaalsContact C-N 3.31Å; L14-V16 PolarHBondContact O-N 3.04Å |
| 17 | N | 58.6 | Low | 57.6 | Low | 122 Ų | 122 | 114.6 Ų | 114.6 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -84.6 | -14.7 | 177.7 | -71.3 | -86.3 | 0 | 0 | 0 | 113.7 | I13 L14 Q19 | I13-N17 VanDerWaalsContact O-CB 3.3Å; I13-N17 WeakPolarHBondContact O-CB 3.35Å; I13-N17 PolarHBondContact O-N 3.26Å; I13-N17 PolarHBondContact O-ND2 3.38Å; L14-N17 PolarHBondContact O-N 2.9Å; N17-Q19 PolarHBondContact O-N 3.19Å |
| 18 | C | 49.9 | Very low | 55.8 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 68% | 0.676 | 61% | 0.614 | S | S | * | * | trans | -75.2 | 48.6 | 167.9 | -77.7 | 0 | 0 | 0 | 0 | 113 | L14 | L14-C18 VanDerWaalsContact O-CB 3.27Å; L14-C18 WeakPolarHBondContact O-CB 3.4Å; L14-C18 PolarHBondContact O-N 3.4Å; L14-C18 PolarHBondContact O-SG 3.28Å; L14-C18 VanDerWaalsContact O-SG 3.33Å | ||
| 19 | Q | 47.7 | Very low | 54.1 | Low | 167 Ų | 167 | 116.5 Ų | 116.5 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | trans | -65.4 | 130.7 | 148.9 | -95.5 | -158 | -28.3 | 0 | 0 | 107.7 | N17 S21 | N17-Q19 PolarHBondContact O-N 3.19Å; Q19-S21 PolarHBondContact O-N 3.21Å; Q19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | P | 45.3 | Very low | 52.4 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | trans | -63.4 | 118.6 | 165.4 | 27.9 | -31.6 | 0 | 0 | 0 | 107.2 | V22 | P20-V22 PolarHBondContact O-N 3.16Š| ||
| 21 | S | 41.2 | Very low | 50.6 | Low | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | trans | -62 | 102.9 | 178.7 | 58 | 0 | 0 | 0 | 0 | 109.3 | Q19 N23 | Q19-S21 PolarHBondContact O-N 3.21Å; Q19-S21 VanDerWaalsContact O-N 3.14Å; S21-N23 PolarHBondContact O-N 3.08Å | ||
| 22 | V | 44.6 | Very low | 48.8 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | trans | -66.5 | 103.5 | 169.6 | -176.4 | 0 | 0 | 0 | 0 | 105.8 | P20 S24 | P20-V22 PolarHBondContact O-N 3.16Å; V22-S24 PolarHBondContact O-N 3.45Å | ||
| 23 | N | 42.1 | Very low | 47.1 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 92.6 | 168.1 | -85.5 | -8 | 0 | 0 | 0 | 107 | S21 R25 | S21-N23 PolarHBondContact O-N 3.08Å; N23-R25 PolarHBondContact O-N 2.61Å | ||
| 24 | S | 35.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | trans | -64.6 | 74.6 | 169.6 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | V22 E26 | V22-S24 PolarHBondContact O-N 3.45Å; S24-E26 PolarHBondContact O-N 3.18Å | ||
| 25 | R | 38.1 | Very low | 44 | Very low | 192 Ų | 192 | 118.2 Ų | 118.2 | 73% | 0.725 | 67% | 0.669 | S | S | * | * | trans | -76.4 | 113 | 166.5 | -160.8 | 173.8 | -164.3 | 162.6 | 3.8 | 106.1 | N23 Y27 | N23-R25 PolarHBondContact O-N 2.61Å; R25-Y27 HydrophobicContact CB-CE2 4.26Å; R25-Y27 HydrophobicContact CG-CE2 4.48Å; R25-Y27 VanDerWaalsContact O-CD2 3.28Å; R25-Y27 WeakPolarHBondContact O-CD2 3.48Å; R25-Y27 PolarHBondContact O-N 3.03Å | ||
| 26 | E | 35.5 | Very low | 42.7 | Very low | 194 Ų | 194 | 118.5 Ų | 118.5 | 91% | 0.907 | 68% | 0.684 | S | S | * | * | trans | -66.8 | 100.2 | -171.6 | -159.6 | 163.3 | 106.7 | 0 | 0 | 110.3 | S24 | S24-E26 PolarHBondContact O-N 3.18Š| ||
| 27 | Y | 36.2 | Very low | 41.5 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | -95.5 | 134.2 | 170.9 | -77.1 | -79.3 | 0 | 0 | 0 | 109.2 | R25 | R25-Y27 HydrophobicContact CB-CE2 4.26Å; R25-Y27 HydrophobicContact CG-CE2 4.48Å; R25-Y27 VanDerWaalsContact O-CD2 3.28Å; R25-Y27 WeakPolarHBondContact O-CD2 3.48Å; R25-Y27 PolarHBondContact O-N 3.03Å | ||
| 28 | P | 42.2 | Very low | 40.4 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -69.2 | 134.8 | -176.1 | 27.3 | -34.2 | 0 | 0 | 0 | 111.7 | T30 | P28-T30 PolarHBondContact O-N 3.04Š| ||
| 29 | N | 37.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | trans | -75.4 | 57.7 | -177.9 | -70.7 | -43.3 | 0 | 0 | 0 | 113.6 | A31 Q32 A33 | N29-A31 VanDerWaalsContact C-N 3.26Å; N29-A31 PolarHBondContact O-N 3.14Å; N29-Q32 PolarHBondContact O-N 3.02Å; N29-A33 PolarHBondContact O-N 2.89Å | ||
| 30 | T | 42.8 | Very low | 39.4 | Very low | 106 Ų | 106 | 126 Ų | 126 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -61.7 | -31.2 | 176.8 | 40.9 | 0 | 0 | 0 | 0 | 113 | P28 Q32 | P28-T30 PolarHBondContact O-N 3.04Å; T30-Q32 PolarHBondContact O-N 3.5Å |
| 31 | A | 39.4 | Very low | 38.9 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N29 | N29-A31 VanDerWaalsContact C-N 3.26Å; N29-A31 PolarHBondContact O-N 3.14Å |
| 32 | Q | 37.9 | Very low | 38.4 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -83.1 | -29.2 | -177.6 | -71.4 | -172.3 | -29.9 | 0 | 0 | 113.1 | N29 T30 G36 | N29-Q32 PolarHBondContact O-N 3.02Å; T30-Q32 PolarHBondContact O-N 3.5Å; Q32-G36 PolarHBondContact O-N 2.79Å |
| 33 | A | 37.7 | Very low | 37.9 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 51% | 0.512 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -64.2 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N29 | N29-A33 PolarHBondContact O-N 2.89Å |
| 34 | V | 41.3 | Very low | 37.5 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -73.5 | -42.6 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | G36 Q37 F38 | V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.48Å; V34-Q37 PolarHBondContact O-N 2.97Å; V34-F38 PolarHBondContact O-N 3.33Å |
| 35 | S | 39.2 | Very low | 37.3 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -62.8 | -35.7 | -178 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | Q37 | S35-Q37 PolarHBondContact O-N 2.97Å |
| 36 | G | 38.2 | Very low | 37.3 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -72.8 | -19.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q32 V34 | Q32-G36 PolarHBondContact O-N 2.79Å; V34-G36 VanDerWaalsContact C-N 3.3Å; V34-G36 PolarHBondContact O-N 3.48Å |
| 37 | Q | 40.2 | Very low | 37.5 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -98.1 | -20.9 | -177.1 | -70.5 | -172.1 | -39.5 | 0 | 0 | 114 | V34 S35 | V34-Q37 PolarHBondContact O-N 2.97Å; S35-Q37 PolarHBondContact O-N 2.97Å |
| 38 | F | 35.5 | Very low | 37.4 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -77.8 | -25.1 | -173.7 | -146.1 | -104.2 | 0 | 0 | 0 | 114 | V34 H40 | V34-F38 PolarHBondContact O-N 3.33Å; F38-H40 PolarHBondContact O-N 3.4Å |
| 39 | M | 39.1 | Very low | 36.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 13.9 | -174.5 | -60 | -66.7 | -85.1 | 0 | 0 | 114.7 | ||
| 40 | H | 38 | Very low | 37 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 17.8 | -177.6 | -92.9 | 18.3 | 0 | 0 | 0 | 114.4 | F38 | F38-H40 PolarHBondContact O-N 3.4Š|
| 41 | Q | 34.3 | Very low | 36.5 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -117.5 | 17.6 | 173 | -160.3 | 136.9 | 36.1 | 0 | 0 | 114.3 | ||||
| 42 | E | 32.1 | Very low | 36.3 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -100.1 | 82.7 | 165.3 | -77 | -164.3 | 86.3 | 0 | 0 | 111.4 | ||||
| 43 | T | 33.7 | Very low | 36 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -165.1 | 152.2 | 156.9 | -0.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | N | 33.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 70.8 | 67.7 | 175 | -48.3 | -33.6 | 0 | 0 | 0 | 116.9 | ||||
| 45 | A | 31.4 | Very low | 35.5 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -143.3 | 31.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 46 | N | 37.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -115.8 | 81.2 | 179.8 | -82.9 | -4.9 | 0 | 0 | 0 | 112.2 | ||||
| 47 | T | 39.4 | Very low | 34.8 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -144.8 | 139.8 | 164.1 | 39.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 48 | P | 34.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 167.5 | -176.7 | 33.1 | -36.2 | 0 | 0 | 0 | 113.2 | ||||
| 49 | I | 32.7 | Very low | 34 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -80.1 | 135.8 | -179.6 | -60 | 163.8 | 0 | 0 | 0 | 110.3 | ||||
| 50 | E | 38.2 | Very low | 33.7 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -136.2 | 153.5 | 162.1 | -164.6 | 166 | -170.4 | 0 | 0 | 109.5 | ||||
| 51 | N | 33.1 | Very low | 33.3 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -67.8 | 145.8 | -170.9 | -63.6 | -55.8 | 0 | 0 | 0 | 113.2 | ||||
| 52 | L | 35.6 | Very low | 33.3 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -158.1 | 121.8 | 132.1 | -142.4 | 69.8 | 0 | 0 | 0 | 113 | ||||
| 53 | D | 29.8 | Very low | 33.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 125.2 | 165.1 | -60.8 | -77.8 | 0 | 0 | 0 | 110.3 | ||||
| 54 | A | 36.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -152.7 | 107 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S56 | A54-S56 PolarHBondContact O-N 3.24Š| ||
| 55 | H | 33.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -63.9 | 122.5 | 168.6 | -77.6 | -102.1 | 0 | 0 | 0 | 110.6 | ||||
| 56 | S | 32.1 | Very low | 33.4 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -107.5 | 79.9 | 170.2 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | A54 Y58 | A54-S56 PolarHBondContact O-N 3.24Å; S56-Y58 PolarHBondContact O-N 3.17Å; S56-Y58 VanDerWaalsContact O-N 3.1Å | ||
| 57 | T | 29.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 106.4 | 173.3 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | S59 | T57-S59 PolarHBondContact O-N 3.39Š| ||
| 58 | Y | 32 | Very low | 33 | Very low | 223 Ų | 223 | 142.8 Ų | 142.8 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -96 | 80 | 173.2 | -125.8 | -83.3 | 0 | 0 | 0 | 111.3 | S56 | S56-Y58 PolarHBondContact O-N 3.17Å; S56-Y58 VanDerWaalsContact O-N 3.1Å | ||
| 59 | S | 27.1 | Very low | 33 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 127.5 | 163.7 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | T57 | T57-S59 PolarHBondContact O-N 3.39Š| ||
| 60 | S | 32.7 | Very low | 33.1 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -131.3 | 112.5 | 164.7 | -162.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 61 | S | 29 | Very low | 32.6 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -89.2 | 132.6 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 62 | V | 34.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -119.7 | 113.2 | 164.4 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 63 | V | 31.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 132.7 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 64 | S | 34.7 | Very low | 33 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -133.9 | 124.6 | 158.6 | -70.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 65 | D | 32.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -72.5 | 140.8 | 169.4 | -57.8 | -77.2 | 0 | 0 | 0 | 110.1 | ||||
| 66 | D | 34.7 | Very low | 33 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 111.9 | 162.4 | -118.6 | -39.2 | 0 | 0 | 0 | 109 | ||||
| 67 | N | 36.6 | Very low | 33.3 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -100 | 122 | -167.5 | -133 | -22.8 | 0 | 0 | 0 | 110.1 | I69 | N67-I69 PolarHBondContact O-N 2.88Š| ||
| 68 | H | 31.4 | Very low | 33.5 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -59.6 | 127.9 | 171.6 | -91.8 | -89.3 | 0 | 0 | 0 | 111 | ||||
| 69 | I | 34.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 140 Ų | 140 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -164.7 | 124 | 143.2 | -100.7 | 146.3 | 0 | 0 | 0 | 112.4 | N67 | N67-I69 PolarHBondContact O-N 2.88Š| ||
| 70 | S | 35.2 | Very low | 34 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 22.4 | 127.2 | 151.4 | -47.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 71 | H | 28.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -26.7 | 157.7 | 137.8 | -78.3 | -59.5 | 0 | 0 | 0 | 116.6 | ||||
| 72 | P | 38.6 | Very low | 34.1 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -151.9 | -167.3 | 52.7 | 43.3 | -21.1 | 0 | 0 | 0 | 119 | |||||
| 73 | T | 34.1 | Very low | 34.2 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -81.4 | 158.2 | -171.1 | 45.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 74 | G | 34.7 | Very low | 34.2 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -177.7 | 92.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 75 | K | 37.3 | Very low | 34.2 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 97% | 0.965 | 80% | 0.798 | S | S | * | * | trans | 73.3 | 159.7 | 145.4 | -57.7 | 178.9 | -178.1 | 176.4 | 0 | 121 | ||||
| 76 | K | 32.1 | Very low | 34.2 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -144.1 | 139.5 | -173.2 | -176.4 | -173.3 | -173.1 | -179.9 | 0 | 109.2 | ||||
| 77 | P | 38.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | -143.4 | 139.8 | 125 | 28.3 | -10.2 | 0 | 0 | 0 | 111.7 | |||||
| 78 | S | 34.7 | Very low | 34.2 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | cis | 90.9 | 116.8 | 43.6 | 77.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 79 | Y | 31.8 | Very low | 34.1 | Very low | 216 Ų | 216 | 142.1 Ų | 142.1 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 124 | 157.5 | -99 | -94.1 | 0 | 0 | 0 | 121.4 | ||||
| 80 | L | 37.2 | Very low | 34.5 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | -163 | 162.1 | 115.8 | -104.8 | 165.6 | 0 | 0 | 0 | 110.8 | |||||
| 81 | D | 29.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 145 Ų | 145 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | -141.3 | 150 | -170.5 | 168.3 | 38.1 | 0 | 0 | 0 | 110.4 | ||||
| 82 | S | 34.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -174.4 | 96.7 | 161.4 | -81 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 83 | S | 35.7 | Very low | 34.5 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 52.6 | 121.8 | 118.6 | -48.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 84 | H | 32.1 | Very low | 34.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | 52.5 | 129.5 | 130.9 | -76.8 | -85.2 | 0 | 0 | 0 | 123.9 | ||||
| 85 | L | 34.4 | Very low | 34.5 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | -158.7 | 151.7 | 120.2 | -111.7 | 155 | 0 | 0 | 0 | 111.9 | |||||
| 86 | H | 33.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 73% | 0.731 | 77% | 0.771 | S | S | * | * | trans | -108.4 | 156.1 | 174.5 | -83.8 | -137.6 | 0 | 0 | 0 | 109.8 | ||||
| 87 | E | 34.6 | Very low | 34.2 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -158.8 | 142.1 | 139.2 | -160.3 | 57 | 112.9 | 0 | 0 | 114.5 | ||||
| 88 | A | 36.1 | Very low | 33.9 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 39.4 | 152.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 89 | S | 30.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -123.9 | -159.3 | 172.8 | -153.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 90 | P | 41.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -144.5 | -166.3 | -3.7 | 43.2 | -21.8 | 0 | 0 | 0 | 117.2 | ||||
| 91 | R | 32.3 | Very low | 33.4 | Very low | 227 Ų | 227 | 135.8 Ų | 135.8 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | 91.9 | 99.9 | 143.5 | -93.2 | -173.6 | 169 | 142.6 | -1.6 | 122.8 | ||||
| 92 | S | 32.9 | Very low | 33.4 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | 53.4 | 123.2 | 116.4 | 65.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 93 | Q | 37 | Very low | 33.4 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | -155.5 | 168.1 | 126.5 | -113.5 | 168 | 13.8 | 0 | 0 | 111.9 | |||||
| 94 | D | 33.1 | Very low | 33.2 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -90.7 | 162.6 | -154.2 | -69.6 | -79.2 | 0 | 0 | 0 | 116.9 | ||||
| 95 | P | 35.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -90.1 | 148.6 | -175.7 | 35.2 | -35.6 | 0 | 0 | 0 | 114.4 | ||||
| 96 | S | 32.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -158.8 | 134.4 | 166.3 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 97 | S | 31.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 68.7 | 158.6 | 158.6 | 80.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 98 | F | 32.7 | Very low | 32.8 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | cis | -126 | 142.4 | 6.9 | -120.9 | -96.9 | 0 | 0 | 0 | 112 | ||||
| 99 | V | 33.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 22.6 | 127.4 | 144.4 | -178.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 100 | G | 26.8 | Very low | 32.6 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -91.2 | 151.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 101 | E | 32.6 | Very low | 32.2 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 110.9 | -179.6 | -166.5 | 170.5 | 155.3 | 0 | 0 | 110.8 | I103 | E101-I103 PolarHBondContact O-N 3.29Š| ||
| 102 | S | 29.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -86.6 | 97.9 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | Q104 | S102-Q104 PolarHBondContact O-N 2.95Š| ||
| 103 | I | 34.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -71.2 | 101 | 175.5 | -59.5 | -178.5 | 0 | 0 | 0 | 109.2 | E101 | E101-I103 PolarHBondContact O-N 3.29Š| ||
| 104 | Q | 30.5 | Very low | 32.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | -90.4 | 117.9 | -176.7 | -173.5 | 177.2 | 13.3 | 0 | 0 | 110.4 | S102 T106 | S102-Q104 PolarHBondContact O-N 2.95Å; Q104-T106 PolarHBondContact O-N 2.89Å | ||
| 105 | Y | 31.1 | Very low | 32.1 | Very low | 208 Ų | 208 | 137.8 Ų | 137.8 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 88.6 | 176.7 | -70.4 | -85.3 | 0 | 0 | 0 | 111.9 | H107 | Y105-H107 PolarHBondContact O-N 3.35Š| ||
| 106 | T | 33.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -80 | 102.2 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | Q104 G108 | Q104-T106 PolarHBondContact O-N 2.89Å; T106-G108 PolarHBondContact O-N 2.9Å | ||
| 107 | H | 30.1 | Very low | 32 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 96.4 | 170.5 | -77.2 | -98.6 | 0 | 0 | 0 | 111.4 | Y105 L109 | Y105-H107 PolarHBondContact O-N 3.35Å; H107-L109 PolarHBondContact O-N 3.27Å | ||
| 108 | G | 31.7 | Very low | 32.3 | Very low | 76 Ų | 76 | 147 Ų | 147 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -83.5 | 95.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T106 | T106-G108 PolarHBondContact O-N 2.9Š| ||
| 109 | L | 27.9 | Very low | 32.1 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -67.5 | 129.5 | 167.3 | -112.2 | 76.6 | 0 | 0 | 0 | 110.5 | H107 | H107-L109 PolarHBondContact O-N 3.27Š| ||
| 110 | S | 34.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -121.5 | 145.8 | 155 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 111 | K | 32.6 | Very low | 32.1 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -119.3 | 163.2 | -173 | -71.4 | -178.6 | 175.5 | 179.3 | 0 | 111.1 | ||||
| 112 | H | 34.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 93.2 | 88.1 | 144.6 | -137.2 | -62.7 | 0 | 0 | 0 | 119.4 | E114 | H112-E114 IonicContact CE1-OE2 3.97Š| ||
| 113 | S | 34.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -154.7 | 141.2 | 136.6 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 114 | E | 32.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 154 | -164.9 | -71.4 | 158.6 | 78.6 | 0 | 0 | 115.2 | H112 | H112-E114 IonicContact CE1-OE2 3.97Š|
| 115 | P | 30.9 | Very low | 32 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88 | 123.2 | 171.5 | 33.9 | -31.2 | 0 | 0 | 0 | 111.8 | ||
| 116 | Q | 36.2 | Very low | 32.2 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 120.5 | 173.1 | -160.1 | 174.3 | 38.3 | 0 | 0 | 111 | ||
| 117 | K | 30.5 | Very low | 32 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 142.6 | 173 | -71.6 | 171 | 176.1 | 167.5 | 0 | 111.1 | ||
| 118 | N | 36.2 | Very low | 32.3 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -138.6 | 118.4 | 142.2 | -99.6 | -36.3 | 0 | 0 | 0 | 109.5 | ||||
| 119 | N | 29.2 | Very low | 32.3 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -94.2 | 127.1 | 177.2 | -66.8 | -18.6 | 0 | 0 | 0 | 109.1 | ||||
| 120 | I | 33.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 147 Ų | 147 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 126.1 | 151.3 | -60.6 | -176.7 | 0 | 0 | 0 | 107.5 | ||||
| 121 | R | 27.5 | Very low | 32.5 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -127.7 | 132.2 | -179 | 170.5 | -161.7 | -74.4 | -162.6 | -4.1 | 106.6 | ||||
| 122 | I | 31.2 | Very low | 32.4 | Very low | 164 Ų | 164 | 143 Ų | 143 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | 163.3 | 139.4 | 162 | -89.9 | 147.7 | 0 | 0 | 0 | 105.6 | ||||
| 123 | S | 31.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -155 | 161.7 | -35.6 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 124 | S | 28.7 | Very low | 32.4 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -70.6 | -175.8 | 166.9 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 125 | H | 33.6 | Very low | 32.6 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | trans | 87.3 | 137.6 | -177.2 | -63.5 | -87.6 | 0 | 0 | 0 | 114.2 | ||||
| 126 | D | 35.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | -136.8 | 172.2 | 10.4 | -95.6 | -42.9 | 0 | 0 | 0 | 114.5 | ||||
| 127 | S | 30.3 | Very low | 33.2 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -135.8 | 114 | -178 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 128 | V | 35.3 | Very low | 33.4 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -148.8 | 118.9 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 129 | S | 31.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | 81.9 | 149.2 | 48.9 | -162.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 130 | N | 35.6 | Very low | 33.6 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 82.5 | 120 | 171.1 | -51.3 | -14.1 | 0 | 0 | 0 | 114.7 | ||||
| 131 | V | 31.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | 91.2 | 137.2 | 56.2 | 157.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 132 | A | 31.2 | Very low | 34.1 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | cis | -174 | 163.5 | -24.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 133 | K | 32.4 | Very low | 34.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 65.4 | 166.5 | 161.8 | -56.4 | 162.9 | 164.8 | -171.7 | 0 | 116 | ||||
| 134 | H | 36.9 | Very low | 34.6 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 61% | 0.611 | 73% | 0.734 | S | S | * | * | cis | -158.5 | 153.4 | 19.7 | -111.1 | -68.2 | 0 | 0 | 0 | 111.7 | ||||
| 135 | H | 36.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | 56 | 158 | 147.6 | -68.7 | -50.2 | 0 | 0 | 0 | 121.5 | ||||
| 136 | N | 34.6 | Very low | 35 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | cis | -154.8 | 163.9 | -8.4 | -130.3 | 20.6 | 0 | 0 | 0 | 111.6 | ||||
| 137 | P | 45 | Very low | 35 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -101.2 | 170.1 | 168.6 | 39.5 | -33.3 | 0 | 0 | 0 | 113.7 | ||||
| 138 | N | 35.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | 172.3 | 171.1 | 143.1 | -95.4 | -15.9 | 0 | 0 | 0 | 115.9 | ||||
| 139 | V | 37 | Very low | 35.5 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 81.3 | 113.5 | 165.4 | -158.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 140 | Y | 31.3 | Very low | 35.6 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | 71.1 | 147.8 | 60 | -91.9 | -101.5 | 0 | 0 | 0 | 114.7 | |||||
| 141 | I | 36.6 | Very low | 35.7 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | cis | -104.2 | -130 | 9.1 | -31.7 | -179.9 | 0 | 0 | 0 | 111.5 | ||||
| 142 | D | 36.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | cis | -156.2 | 176.6 | 3.1 | -139.8 | -49.9 | 0 | 0 | 0 | 111.6 | ||||
| 143 | E | 34.2 | Very low | 35.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -114.1 | 159.4 | -167.8 | -57.4 | -173.2 | 137.7 | 0 | 0 | 114.5 | ||||
| 144 | T | 38.3 | Very low | 36.1 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | 178.7 | 143.9 | 74.8 | 33.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 145 | H | 35.7 | Very low | 35.8 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | 23.8 | 132.2 | 145.5 | -73 | -93.5 | 0 | 0 | 0 | 124.4 | ||||
| 146 | G | 35.3 | Very low | 35.9 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 179.2 | 146 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 147 | S | 34.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -170.2 | 169.4 | -177.1 | -164.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 148 | N | 36.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | 102.5 | 143.7 | 152.6 | -62.5 | -1.4 | 0 | 0 | 0 | 121.5 | ||||
| 149 | H | 38.8 | Very low | 35.3 | Very low | 154 Ų | 154 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 76.4 | 123.2 | 167.1 | -58.9 | -47.7 | 0 | 0 | 0 | 118.2 | ||||
| 150 | D | 34.4 | Very low | 35.2 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | 71.9 | 135.2 | 54.7 | -60.3 | -51.2 | 0 | 0 | 0 | 111.9 | |||||
| 151 | S | 36.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | cis | -157.7 | 152.7 | 7.5 | 40.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 152 | S | 32.7 | Very low | 35.2 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | 87.3 | 136.4 | 52 | -156.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 153 | I | 33.9 | Very low | 35.5 | Very low | 154 Ų | 154 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 69.3 | 139.2 | 173.9 | -24.4 | -176 | 0 | 0 | 0 | 112.8 | ||||
| 154 | V | 36.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | cis | -153.6 | 148 | 47.2 | 170.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 155 | N | 31.3 | Very low | 35.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -91.7 | 155.5 | 169.8 | -50.9 | -32.9 | 0 | 0 | 0 | 111.9 | ||||
| 156 | Q | 38.1 | Very low | 35.6 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -166.8 | 143.9 | 134.5 | -115.7 | 165 | 0.6 | 0 | 0 | 115.1 | ||||
| 157 | D | 32 | Very low | 35.7 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -75.4 | 161 | 169.7 | -48.9 | -99 | 0 | 0 | 0 | 112.6 | ||||
| 158 | H | 36.2 | Very low | 35.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | 175 | 134.1 | 109 | -99.7 | -81.4 | 0 | 0 | 0 | 114.7 | |||||
| 159 | D | 34.7 | Very low | 35.8 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 58% | 0.583 | 75% | 0.752 | S | S | * | * | trans | 57.9 | 113.3 | 136.4 | -70.7 | -28.8 | 0 | 0 | 0 | 126 | ||||
| 160 | Q | 35.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 133 Ų | 133 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | 72.9 | 151.3 | 114.4 | -65.7 | 179.1 | 55.6 | 0 | 0 | 123.8 | |||||
| 161 | T | 34.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | 65.1 | 143.5 | 164.2 | 49.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 162 | G | 32.4 | Very low | 35.4 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -169.9 | 168.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 163 | P | 42.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -107.1 | 156.6 | -158.3 | 39.2 | -35.3 | 0 | 0 | 0 | 116.8 | ||||
| 164 | S | 35.4 | Very low | 35.3 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -177.8 | 150.3 | 162.6 | -87.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 165 | H | 38.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 143 Ų | 143 | 73% | 0.731 | 76% | 0.757 | S | S | * | * | cis | -165.5 | -176.3 | -18.3 | -142.4 | -104 | 0 | 0 | 0 | 108 | ||||
| 166 | D | 37 | Very low | 35.3 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 71.4 | 148.9 | 152.8 | -68.8 | -8.5 | 0 | 0 | 0 | 121.3 | ||||
| 167 | V | 37.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | cis | -167.4 | 140.5 | -28.1 | 113.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 168 | Y | 34.4 | Very low | 35.2 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | 61.5 | 162.1 | 158.1 | -82.9 | -133.3 | 0 | 0 | 0 | 119.3 | ||||
| 169 | T | 36.9 | Very low | 35 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | cis | -139.2 | 155.8 | 3.6 | -31.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 170 | S | 30.6 | Very low | 35 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -77.6 | 157.2 | 166.1 | 171.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 171 | M | 37 | Very low | 35 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -152.2 | 118.6 | 147.3 | -110.3 | -63.4 | -151.3 | 0 | 0 | 111.4 | ||||
| 172 | H | 35.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | -82.3 | 148.8 | 176.4 | -83.2 | -94.1 | 0 | 0 | 0 | 112.7 | ||||
| 173 | K | 34.6 | Very low | 35.4 | Very low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | -144.7 | 155.7 | 128.8 | -141.5 | 164.8 | -175.5 | 175.6 | 0 | 112.1 | |||||
| 174 | K | 29.6 | Very low | 35.1 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -135.8 | 161.7 | -162.4 | -177.8 | -170.4 | 173.8 | -178.5 | 0 | 109.6 | ||||
| 175 | T | 33.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | 71.8 | 151.7 | 162.5 | 18.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 176 | T | 34.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | cis | -153.7 | 134.9 | 13.8 | -16.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 177 | H | 34.4 | Very low | 35.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 56.3 | 153.3 | 133.2 | -93.5 | -105.9 | 0 | 0 | 0 | 125.9 | ||||
| 178 | N | 33.9 | Very low | 35.6 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 118.6 | 152 | -68 | 1.4 | 0 | 0 | 0 | 119.9 | ||||
| 179 | A | 31.1 | Very low | 35.7 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 158.5 | 162 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 180 | Q | 35 | Very low | 35.4 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -170.9 | 163.4 | 139.5 | -109 | 166.6 | -13 | 0 | 0 | 113.5 | ||||
| 181 | Q | 34.9 | Very low | 35.9 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | 65.1 | 123.1 | 158.7 | -106.4 | 64.1 | -13.6 | 0 | 0 | 122.3 | ||||
| 182 | I | 32.5 | Very low | 35.6 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 137.9 | 156.3 | -60.6 | 155.3 | 0 | 0 | 0 | 109.4 | ||
| 183 | P | 43.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 138.8 | 161.9 | 33.7 | -30.5 | 0 | 0 | 0 | 111.6 | ||
| 184 | P | 36.9 | Very low | 35.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 164 | -177.2 | 35.1 | -36.5 | 0 | 0 | 0 | 113.8 | ||
| 185 | A | 35.7 | Very low | 36 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78 | 147.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 186 | P | 50.2 | Low | 36.1 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.2 | 169.3 | 33.2 | -30.1 | 0 | 0 | 0 | 111.6 | ||
| 187 | N | 36.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 144.8 | 161.5 | -66.3 | -42.7 | 0 | 0 | 0 | 109.9 | ||
| 188 | N | 36.2 | Very low | 36.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -162.6 | 159.2 | 139.7 | -104.2 | -14.1 | 0 | 0 | 0 | 111.5 | ||||
| 189 | P | 37.2 | Very low | 36.6 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 167.9 | -139 | 39.3 | -38.1 | 0 | 0 | 0 | 116.5 | ||||
| 190 | L | 30.7 | Very low | 36.7 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -45.4 | 136.8 | 164.1 | -170.4 | 77.8 | 0 | 0 | 0 | 112.6 | ||||
| 191 | H | 40 | Very low | 36.9 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -134.5 | 110.4 | 163.4 | -124 | -61.6 | 0 | 0 | 0 | 110.5 | ||||
| 192 | D | 31.6 | Very low | 36.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -87.4 | 133.4 | 165.2 | 172.7 | 19.2 | 0 | 0 | 0 | 109 | ||||
| 193 | M | 37 | Very low | 37 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | trans | -166.2 | 111.3 | 147.2 | -116.8 | -179.9 | -71 | 0 | 0 | 114.2 | ||||
| 194 | S | 37.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 43.3 | 106.4 | 131.1 | -70.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 195 | R | 33 | Very low | 36.7 | Very low | 239 Ų | 239 | 134.1 Ų | 134.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | 61.5 | 98.5 | 106.8 | -163.9 | -174.2 | -156.5 | 156 | 6.7 | 119.8 | |||||
| 196 | G | 35.6 | Very low | 36.7 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 171.5 | 109.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 197 | Q | 37.4 | Very low | 36 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | cis | 93.4 | 121.6 | 39.9 | -165.3 | 170.6 | 5.8 | 0 | 0 | 113.2 | ||||
| 198 | Q | 38.7 | Very low | 35.9 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 82.3 | 151.3 | 178.4 | -75.4 | -166.9 | -115.3 | 0 | 0 | 119.8 | ||||
| 199 | P | 37.9 | Very low | 35.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -140.7 | 172.2 | -144.1 | 43.3 | -24.6 | 0 | 0 | 0 | 118.2 | ||||
| 200 | S | 33.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 66 | 169.1 | 148.7 | -72.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 201 | P | 39 | Very low | 35.8 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | cis | -126.7 | 171.8 | -25.4 | 33.2 | -17.3 | 0 | 0 | 0 | 113.2 | ||||
| 202 | G | 35.3 | Very low | 35.3 | Very low | 79 Ų | 79 | 145.8 Ų | 145.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 167.5 | 90.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 203 | G | 34.1 | Very low | 35.4 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 91.4 | 153 | 137 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 204 | Q | 38.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | 63.6 | 88 | 166.9 | -56.9 | -175.9 | 12.4 | 0 | 0 | 114.6 | ||||
| 205 | S | 34 | Very low | 35 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | cis | 73.5 | 92 | 46.2 | -43.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 206 | H | 36.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -145.7 | 97.6 | 157.2 | -111.1 | -80.5 | 0 | 0 | 0 | 108.9 | ||||
| 207 | D | 33.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 139.1 | 171.4 | -78.1 | -61.3 | 0 | 0 | 0 | 110.8 | ||||
| 208 | F | 36.4 | Very low | 34.3 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -130.9 | 127.9 | 149.8 | -99.3 | -84.3 | 0 | 0 | 0 | 108.2 | Y210 | F208-Y210 PolarHBondContact O-N 3.33Š| ||
| 209 | M | 32.5 | Very low | 34 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -66.1 | 129.1 | -168.8 | -66.6 | -167 | 76.5 | 0 | 0 | 112.6 | K211 | M209-K211 HydrophobicContact CE-CB 4.04Å; M209-K211 HydrophobicContact CE-CD 3.89Å; M209-K211 HydrophobicContact CE-CG 3.94Å; M209-K211 HydrophobicContact SD-CD 4.38Å | ||
| 210 | Y | 31.7 | Very low | 33.8 | Very low | 233 Ų | 233 | 148 Ų | 148 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -79.1 | 134.7 | 134.2 | -121.1 | -98.5 | 0 | 0 | 0 | 107.7 | F208 | F208-Y210 PolarHBondContact O-N 3.33Š| ||
| 211 | K | 36.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | -132 | 142.9 | 176.6 | -165 | 172.5 | -175.1 | 175.9 | 0 | 109.8 | M209 I213 | M209-K211 HydrophobicContact CE-CB 4.04Å; M209-K211 HydrophobicContact CE-CD 3.89Å; M209-K211 HydrophobicContact CE-CG 3.94Å; M209-K211 HydrophobicContact SD-CD 4.38Å; K211-I213 PolarHBondContact O-N 3.5Å | ||
| 212 | D | 31.1 | Very low | 33.1 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -59.1 | 130.3 | -169.5 | -45.2 | -95.5 | 0 | 0 | 0 | 112.7 | ||||
| 213 | I | 33.1 | Very low | 32.9 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -116.2 | 109.4 | 155.5 | -60.2 | -174.7 | 0 | 0 | 0 | 106.7 | K211 | K211-I213 PolarHBondContact O-N 3.5Š| ||
| 214 | V | 36.4 | Very low | 33 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | -70.4 | 152.8 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | D216 | V214-D216 PolarHBondContact O-N 3.01Š| ||
| 215 | L | 29.5 | Very low | 32.8 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | -35.7 | 128.2 | 167.6 | -104.6 | 65.2 | 0 | 0 | 0 | 113.5 | ||||
| 216 | D | 30.7 | Very low | 32.7 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -132.7 | 136.4 | 139 | -164 | -2.5 | 0 | 0 | 0 | 109.4 | V214 | V214-D216 PolarHBondContact O-N 3.01Š| ||
| 217 | S | 30.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -108.4 | 52.1 | -164.4 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 218 | R | 29.6 | Very low | 32.3 | Very low | 220 Ų | 220 | 150 Ų | 150 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -146.5 | 77.3 | -176.8 | -85.8 | 170.1 | -169.2 | -106.6 | -2.3 | 114.1 | ||||
| 219 | L | 33.6 | Very low | 32.4 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 94.4 | 152.6 | -146 | 79 | 0 | 0 | 0 | 111.5 | ||||
| 220 | S | 32 | Very low | 32.5 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -93.7 | 158.2 | 174.3 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 221 | Q | 29.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 68.5 | 66 | 163.5 | -65.4 | 174.9 | -31 | 0 | 0 | 117.4 | ||||
| 222 | G | 29.9 | Very low | 32.9 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 90.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V224 | G222-V224 PolarHBondContact O-N 3.29Š| ||
| 223 | Q | 30.5 | Very low | 33 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 94.1 | -174.3 | -174.8 | 96.1 | 0.9 | 0 | 0 | 111.6 | ||||
| 224 | V | 36.4 | Very low | 32.9 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -81.1 | 135.7 | 168.7 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | G222 G226 | G222-V224 PolarHBondContact O-N 3.29Å; V224-G226 PolarHBondContact O-N 2.89Å | ||
| 225 | P | 34.1 | Very low | 32.7 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 82.3 | -178.4 | -20.6 | 34.6 | 0 | 0 | 0 | 114.2 | A227 | P225-A227 PolarHBondContact O-N 3.43Š| ||
| 226 | G | 32.3 | Very low | 32.7 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -68 | 116.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V224 R228 | V224-G226 PolarHBondContact O-N 2.89Å; G226-R228 PolarHBondContact O-N 3.45Å; G226-R228 VanDerWaalsContact O-N 3.11Å | ||
| 227 | A | 33.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -66 | 107.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P225 I229 | P225-A227 PolarHBondContact O-N 3.43Å; A227-I229 PolarHBondContact O-N 3.01Å | ||
| 228 | R | 29.4 | Very low | 32.8 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 95.2 | 172.4 | -74.1 | -168.3 | -177.1 | -170.7 | 3.1 | 110.6 | G226 N230 | G226-R228 PolarHBondContact O-N 3.45Å; G226-R228 VanDerWaalsContact O-N 3.11Å; R228-N230 PolarHBondContact O-N 2.91Å | ||
| 229 | I | 36.7 | Very low | 32.9 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 112.5 | 159 | -57.3 | -179.7 | 0 | 0 | 0 | 107.1 | A227 Q231 | A227-I229 PolarHBondContact O-N 3.01Å; I229-Q231 PolarHBondContact O-N 2.95Å | ||
| 230 | N | 36.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 114.7 | 178.9 | -59.5 | -61 | 0 | 0 | 0 | 109.6 | R228 P232 | R228-N230 PolarHBondContact O-N 2.91Å; N230-P232 WeakPolarHBondContact O-CD 3.36Å | ||
| 231 | Q | 35.8 | Very low | 32.8 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 124.4 | 159.2 | -74.2 | -179.8 | -29.5 | 0 | 0 | 108.4 | I229 | I229-Q231 PolarHBondContact O-N 2.95Š|
| 232 | P | 38.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143.2 | 173.6 | 29.2 | -33.5 | 0 | 0 | 0 | 109.8 | N230 T234 | N230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-T234 PolarHBondContact O-N 3.47Å |
| 233 | P | 33.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.3 | 179.5 | 28.7 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 234 | T | 32.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -56.9 | 148.1 | 166.8 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | P232 | P232-T234 PolarHBondContact O-N 3.47Š|
| 235 | N | 32.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | 100.7 | 52.1 | 175.1 | -50.9 | -48.8 | 0 | 0 | 0 | 118.4 | ||||
| 236 | Y | 29.3 | Very low | 32.4 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -142.3 | 63.6 | 161.4 | -88 | -68.5 | 0 | 0 | 0 | 114.7 | ||||
| 237 | F | 30.2 | Very low | 32.6 | Very low | 217 Ų | 217 | 149.4 Ų | 149.4 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -145.3 | 95.1 | 156.1 | -92.2 | -68.4 | 0 | 0 | 0 | 111.5 | ||||
| 238 | H | 33.2 | Very low | 32.5 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -151.1 | 129.8 | 162.5 | -136 | -70.4 | 0 | 0 | 0 | 109.3 | ||||
| 239 | N | 31.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 70.4 | 123.5 | 178.2 | -40.9 | -27.1 | 0 | 0 | 0 | 114.5 | ||
| 240 | G | 31.2 | Very low | 32.7 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 146.9 | 1.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | D242 | G240-D242 PolarHBondContact O-N 3.14Š| ||
| 241 | L | 31.1 | Very low | 32.5 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -99.1 | 39.6 | -176.8 | -146.8 | 98.2 | 0 | 0 | 0 | 114.1 | ||||
| 242 | D | 30.1 | Very low | 32.5 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -128.8 | 148.6 | 169.7 | -88 | -59 | 0 | 0 | 0 | 108.9 | G240 | G240-D242 PolarHBondContact O-N 3.14Š|
| 243 | S | 30.5 | Very low | 32.1 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 67.9 | 73.2 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 244 | M | 30.6 | Very low | 32.4 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 94% | 0.941 | 82% | 0.821 | S | S | * | * | trans | -150.4 | 90.1 | 139 | -111.4 | 171.3 | -166.3 | 0 | 0 | 111.3 | ||||
| 245 | V | 31.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -133.6 | 143.1 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 246 | S | 30.5 | Very low | 32.6 | Very low | 92 Ų | 92 | 160.3 Ų | 160.3 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | trans | 70.8 | 125.7 | -166.7 | -159.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 247 | N | 35.7 | Very low | 33 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | -141.1 | 159.6 | 59.7 | -70.4 | -32.4 | 0 | 0 | 0 | 114.8 | |||||
| 248 | H | 32.5 | Very low | 33 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -77 | 157.1 | 163.4 | -86 | -103.6 | 0 | 0 | 0 | 111.1 | ||||
| 249 | D | 34.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 156 Ų | 156 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | -171.1 | 139.4 | 114.2 | -90.6 | -26.8 | 0 | 0 | 0 | 111.1 | |||||
| 250 | P | 34.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -128.3 | 105.1 | 179.4 | 37.2 | -20 | 0 | 0 | 0 | 114.2 | ||||
| 251 | E | 32.6 | Very low | 33.5 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -155.7 | 127.6 | 162.6 | -132.1 | -165 | 120.3 | 0 | 0 | 113.7 | ||||
| 252 | L | 36.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 157 Ų | 157 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | -167.7 | 142.1 | 111.1 | -154.2 | 71 | 0 | 0 | 0 | 109.6 | |||||
| 253 | S | 29.8 | Very low | 34.1 | Very low | 105 Ų | 105 | 157 Ų | 157 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -147.1 | 128.5 | 175 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 254 | E | 38.2 | Very low | 34.6 | Very low | 183 Ų | 183 | 156.1 Ų | 156.1 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -132.8 | 110.6 | 159.2 | -73.9 | -161.3 | 81.7 | 0 | 0 | 108 | ||||
| 255 | R | 32.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 92.6 | 100.4 | 57.9 | 178.9 | -174.1 | -91.1 | -144.5 | 0.1 | 112 | |||||
| 256 | R | 36.6 | Very low | 34.9 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -166.5 | 77.1 | 150.3 | -103.9 | -174.1 | -74 | 172.1 | -3.2 | 106.5 | ||||
| 257 | H | 38.5 | Very low | 35.3 | Very low | 143 Ų | 143 | 164.3 Ų | 164.3 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | 99.9 | 135.8 | 79.1 | -87.8 | -32.9 | 0 | 0 | 0 | 112.5 | |||||
| 258 | F | 29.3 | Very low | 35.4 | Very low | 187 Ų | 187 | 163.5 Ų | 163.5 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -84.7 | 152.9 | -171 | -84.1 | -120.1 | 0 | 0 | 0 | 112.3 | ||||
| 259 | H | 39.1 | Very low | 35.9 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | -172.4 | 170.7 | 94.6 | -103.4 | -79.4 | 0 | 0 | 0 | 112 | |||||
| 260 | A | 33.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 160 Ų | 160 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -125.3 | -175.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 261 | D | 35.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 161.8 Ų | 161.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 102.1 | 137 | 159.4 | -59.9 | -29.1 | 0 | 0 | 0 | 120.3 | ||||
| 262 | K | 38.8 | Very low | 36.8 | Very low | 205 Ų | 205 | 158.8 Ų | 158.8 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | 91.4 | 91.2 | 163.1 | -60.4 | 178.7 | -175.1 | 173.5 | 0 | 120.3 | ||||
| 263 | E | 34.4 | Very low | 36.9 | Very low | 158 Ų | 158 | 158 Ų | 158 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -60.3 | -179.6 | 139 | -118.8 | -149.6 | 91.2 | 0 | 0 | 111.9 | ||||
| 264 | P | 41.1 | Very low | 37.3 | Very low | 100 Ų | 100 | 156.1 Ų | 156.1 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -143.8 | 169.2 | 21.5 | 41.9 | -21.6 | 0 | 0 | 0 | 120.5 | ||||
| 265 | R | 31.4 | Very low | 37.3 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 35.4 | 131.6 | 145.5 | -68.7 | -168.7 | -75.2 | 179.4 | -8.4 | 124.7 | ||||
| 266 | F | 37.3 | Very low | 37.2 | Very low | 208 Ų | 208 | 155.8 Ų | 155.8 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | -130.5 | 118.1 | 125.8 | -83.3 | -101.3 | 0 | 0 | 0 | 106.7 | |||||
| 267 | R | 38.5 | Very low | 37.2 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | 59.4 | 105.9 | 70.9 | -101.5 | -176.6 | 162.7 | 178.7 | -1.8 | 113.2 | |||||
| 268 | D | 38.3 | Very low | 37.1 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | 111.4 | 158.2 | 49.3 | -86.8 | -7.4 | 0 | 0 | 0 | 108.2 | ||||
| 269 | P | 42.9 | Very low | 37.3 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -143.3 | -171.2 | -36.3 | 41.5 | -23.8 | 0 | 0 | 0 | 114.2 | ||||
| 270 | N | 39.9 | Very low | 37 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 75.1 | 138.9 | 159.2 | -132 | 21.4 | 0 | 0 | 0 | 116.3 | ||||
| 271 | E | 40 | Very low | 37.1 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | -152.1 | 156.4 | 38.4 | -96.7 | -165.6 | 153 | 0 | 0 | 116.5 | ||||
| 272 | N | 40 | Very low | 37 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | 70.9 | 120.8 | 144.9 | -70.2 | -39.4 | 0 | 0 | 0 | 124.3 | ||||
| 273 | T | 40 | Very low | 36.8 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | 63.4 | 134.8 | 147.6 | 55.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 274 | G | 36.6 | Very low | 36.9 | Very low | 66 Ų | 66 | 149.5 Ų | 149.5 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 162.9 | 158.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 275 | S | 38.6 | Very low | 36.8 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | 82 | 146.7 | -172.6 | -49.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 276 | R | 30.7 | Very low | 36.9 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | cis | -161.7 | 135.7 | -17.4 | 176.4 | 177.3 | -171.1 | 170 | 2.6 | 110.2 | ||||
| 277 | S | 37 | Very low | 36.8 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -52 | 176.6 | 168.6 | 61.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 278 | Q | 35.5 | Very low | 36.7 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -163.8 | 179.9 | 19.7 | -157 | 158.1 | -30.1 | 0 | 0 | 111.1 | ||||
| 279 | W | 34.2 | Very low | 36.7 | Very low | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 103.6 | 60 | 162.6 | -49.3 | 122.8 | 0 | 0 | 0 | 118.8 | ||||
| 280 | E | 32.5 | Very low | 36.8 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -105.6 | 148 | 140.7 | -74.6 | -175.3 | 96.7 | 0 | 0 | 110 | ||||
| 281 | T | 36.2 | Very low | 36.9 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | 147.8 | 128.5 | 141.9 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 282 | G | 33.6 | Very low | 36.9 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | 104.7 | 105.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 283 | D | 35.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | cis | -150.3 | 160.9 | 37.1 | -85.1 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 284 | Q | 34.5 | Very low | 36.7 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -104.7 | 120.4 | 173.6 | -64.5 | 179.2 | 3.5 | 0 | 0 | 111.2 | ||||
| 285 | S | 40.7 | Very low | 37 | Very low | 115 Ų | 115 | 158.3 Ų | 158.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -148.6 | 131.4 | 164.5 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 286 | S | 32.9 | Very low | 37.4 | Very low | 103 Ų | 103 | 162.2 Ų | 162.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -61.8 | 137.7 | -169.3 | -173.3 | 0 | 0 | 0 | 0 | 114.8 | H288 | S286-H288 PolarHBondContact O-N 2.93Š| ||
| 287 | P | 35.4 | Very low | 38 | Very low | 118 Ų | 118 | 158.6 Ų | 158.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -92 | 93.5 | 175.6 | 35.4 | -31.9 | 0 | 0 | 0 | 112.4 | ||||
| 288 | H | 35.7 | Very low | 38.1 | Very low | 158 Ų | 158 | 159 Ų | 159 | 73% | 0.731 | 80% | 0.8 | S | S | * | * | trans | -132.2 | 149.9 | 162.5 | -94.3 | -95.9 | 0 | 0 | 0 | 111.2 | S286 | S286-H288 PolarHBondContact O-N 2.93Š| ||
| 289 | D | 38.4 | Very low | 38.2 | Very low | 153 Ų | 153 | 156 Ų | 156 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 48.2 | 84 | 169.1 | -61.9 | -40.9 | 0 | 0 | 0 | 118.8 | ||||
| 290 | K | 44.9 | Very low | 38.8 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -129.8 | 132.1 | 144.9 | -70.1 | -174.4 | 179.5 | 169.8 | 0 | 110.1 | ||||
| 291 | P | 43.1 | Very low | 39.3 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.9 | -168.8 | 28.8 | -35.7 | 0 | 0 | 0 | 113 | R293 | P291-R293 PolarHBondContact O-N 3.41Š|
| 292 | K | 39.5 | Very low | 39.6 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 123 | 174.1 | -68.2 | 179.6 | 178.4 | 177 | 0 | 110.2 | ||
| 293 | R | 38.6 | Very low | 39.8 | Very low | 243 Ų | 243 | 153.2 Ų | 153.2 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 149 | 170 | -78.1 | -174.3 | 171.4 | -177.5 | -3 | 110.4 | P291 | P291-R293 PolarHBondContact O-N 3.41Š|
| 294 | S | 37.1 | Very low | 40.1 | Very low | 76 Ų | 76 | 150.3 Ų | 150.3 | 53% | 0.531 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 142 | -174.5 | -159.3 | 0 | 0 | 0 | 0 | 111.9 | R296 | S294-R296 PolarHBondContact O-N 2.9Š|
| 295 | R | 43.6 | Very low | 40.5 | Very low | 243 Ų | 243 | 145.6 Ų | 145.6 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 48.5 | -179.6 | -163.8 | -176.8 | -174.1 | 169 | 1.5 | 111.7 | ||
| 296 | R | 46.3 | Very low | 40.8 | Very low | 212 Ų | 212 | 146.6 Ų | 146.6 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | -7.9 | -171.2 | -104.8 | -173.5 | -87.7 | 176.9 | -9.9 | 115.9 | S294 | S294-R296 PolarHBondContact O-N 2.9Š|
| 297 | D | 42.7 | Very low | 41.5 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -106.9 | 33.6 | 179.1 | -58.8 | -49.3 | 0 | 0 | 0 | 112.8 | ||||
| 298 | T | 40.4 | Very low | 42.6 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -91.9 | 129.7 | 169.5 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | Y302 | T298-Y302 HydrophobicContact CG2-CD2 4.41Š|
| 299 | S | 36.5 | Very low | 43.7 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 52% | 0.517 | 70% | 0.697 | S | S | . | * | trans | -53.8 | 142.2 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | E301 Y302 | S299-E301 PolarHBondContact O-N 2.93Å; S299-Y302 PolarHBondContact O-N 2.9Å | ||
| 300 | S | 46.8 | Very low | 44.9 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -66.8 | -1.6 | -180 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | Y302 | S300-Y302 PolarHBondContact O-N 3.27Š|
| 301 | E | 43.3 | Very low | 45.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 59% | 0.589 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -71.5 | -8.3 | 173 | -153 | 179.4 | 157 | 0 | 0 | 113.8 | S299 | S299-E301 PolarHBondContact O-N 2.93Š|
| 302 | Y | 41.2 | Very low | 45.9 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -113.1 | 11.7 | -177.5 | -67.5 | -84.8 | 0 | 0 | 0 | 114.5 | T298 S299 S300 L304 | T298-Y302 HydrophobicContact CG2-CD2 4.41Å; S299-Y302 PolarHBondContact O-N 2.9Å; S300-Y302 PolarHBondContact O-N 3.27Å; Y302-L304 PolarHBondContact O-N 3.24Å |
| 303 | H | 38.4 | Very low | 46.6 | Very low | 147 Ų | 147 | 126 Ų | 126 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | trans | -77.9 | 103.6 | 169.4 | -147.6 | -98.9 | 0 | 0 | 0 | 109.1 | D305 | H303-D305 VanDerWaalsContact C-N 3.32Å; H303-D305 IonicContact CE1-OD1 2.73Å; H303-D305 IonicContact CG-OD1 2.89Å; H303-D305 IonicContact ND1-OD1 3.83Å; H303-D305 PolarHBondContact ND1-OD1 3.47Å; H303-D305 PolarHBondContact O-N 2.93Å | ||
| 304 | L | 41.9 | Very low | 47.2 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | trans | -75.9 | 86.7 | 172.3 | -90.4 | 155.6 | 0 | 0 | 0 | 108.7 | Y302 E306 | Y302-L304 PolarHBondContact O-N 3.24Å; L304-E306 PolarHBondContact O-N 3.09Å; L304-E306 VanDerWaalsContact O-N 3.1Å | ||
| 305 | D | 42.5 | Very low | 47.6 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | -66.1 | 107.5 | 173.2 | -71.6 | -23 | 0 | 0 | 0 | 109.8 | H303 | H303-D305 VanDerWaalsContact C-N 3.32Å; H303-D305 IonicContact CE1-OD1 2.73Å; H303-D305 IonicContact CG-OD1 2.89Å; H303-D305 IonicContact ND1-OD1 3.83Å; H303-D305 PolarHBondContact ND1-OD1 3.47Å; H303-D305 PolarHBondContact O-N 2.93Å | ||
| 306 | E | 47.2 | Very low | 47.2 | Very low | 136 Ų | 136 | 116 Ų | 116 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | trans | 62 | 100.9 | 175.3 | -57 | -171.6 | 131.1 | 0 | 0 | 115.6 | L304 F308 | L304-E306 PolarHBondContact O-N 3.09Å; L304-E306 VanDerWaalsContact O-N 3.1Å; E306-F308 VanDerWaalsContact C-N 3.26Å; E306-F308 HydrophobicContact CB-CD2 3.84Å; E306-F308 HydrophobicContact CB-CE2 3.34Å; E306-F308 HydrophobicContact CB-CZ 3.82Å; E306-F308 HydrophobicContact CG-CE2 4.3Å; E306-F308 HydrophobicContact CG-CZ 4.44Å; E306-F308 WeakPolarHBondContact O-CD2 3.32Å; E306-F308 PolarHBondContact O-N 2.92Å; E306-F308 WeakPolarHBondContact OE2-CE2 3.48Å; E306-F308 VanDerWaalsContact OE2-CZ 3.25Å; E306-F308 WeakPolarHBondContact OE2-CZ 3.36Å | ||
| 307 | I | 48.3 | Very low | 47.1 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 59% | 0.585 | 59% | 0.589 | S | S | * | * | trans | -73 | 80.4 | 172.3 | -54.2 | 178.6 | 0 | 0 | 0 | 109.5 | S309 F339 | I307-S309 PolarHBondContact O-N 3.4Å; I307-S309 VanDerWaalsContact O-N 3.14Å; I307-F339 HydrophobicContact CG2-CD2 3.77Å; I307-F339 HydrophobicContact CG2-CE2 4.03Å | ||
| 308 | F | 57.8 | Low | 46.8 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 40% | 0.395 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 104.6 | 171.6 | -70.7 | -72.4 | 0 | 0 | 0 | 110.4 | E306 Y338 F339 | E306-F308 VanDerWaalsContact C-N 3.26Å; E306-F308 HydrophobicContact CB-CD2 3.84Å; E306-F308 HydrophobicContact CB-CE2 3.34Å; E306-F308 HydrophobicContact CB-CZ 3.82Å; E306-F308 HydrophobicContact CG-CE2 4.3Å; E306-F308 HydrophobicContact CG-CZ 4.44Å; E306-F308 WeakPolarHBondContact O-CD2 3.32Å; E306-F308 PolarHBondContact O-N 2.92Å; E306-F308 WeakPolarHBondContact OE2-CE2 3.48Å; E306-F308 VanDerWaalsContact OE2-CZ 3.25Å; E306-F308 WeakPolarHBondContact OE2-CZ 3.36Å; F308-Y338 HydrophobicContact CB-CD1 3.51Å; F308-Y338 HydrophobicContact CB-CE1 3.83Å; F308-Y338 HydrophobicContact CD2-CD1 4.29Å; F308-Y338 AromaticContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CG-CD1 4.13Å; F308-Y338 AromaticContact CG-CE1 3.92Å; F308-Y338 HydrophobicContact CG-CE1 3.92Å; F308-F339 PolarHBondContact O-N 3.47Å |
| 309 | S | 58.6 | Low | 46.6 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.1 | 165.6 | -61.5 | 0 | 0 | 0 | 0 | 109.1 | I307 F339 | I307-S309 PolarHBondContact O-N 3.4Å; I307-S309 VanDerWaalsContact O-N 3.14Å; S309-F339 WeakPolarHBondContact CA-O 3.28Å |
| 310 | L | 64.7 | Low | 46.8 | Very low | 34 Ų | 34 | 121.6 Ų | 121.6 | 18% | 0.178 | 62% | 0.617 | C | S | . | * | P | Polyproline II helix | trans | -72.2 | 143.9 | 172.7 | -67.2 | 172.6 | 0 | 0 | 0 | 109.7 | S312 L326 F339 Y340 I398 | L310-S312 PolarHBondContact O-N 2.98Å; L310-S312 VanDerWaalsContact O-N 3.13Å; L310-L326 HydrophobicContact CD2-CD2 3.33Å; L310-F339 PolarHBondContact N-O 3.42Å; L310-Y340 HydrophobicContact CB-CD2 3.96Å; L310-I398 HydrophobicContact CD1-CD1 4.4Å |
| 311 | P | 55.9 | Low | 47 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120.3 | -179.5 | 24.3 | -33.2 | 0 | 0 | 0 | 110.1 | V324 | P311-V324 HydrophobicContact CG-CG1 4.01Å; P311-V324 HydrophobicContact CG-CG2 4.09Å |
| 312 | S | 52.6 | Low | 48 | Very low | 26 Ų | 26 | 119.2 Ų | 119.2 | 18% | 0.182 | 61% | 0.607 | C | S | . | * | trans | -106.7 | 164.6 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | L310 E314 K341 | L310-S312 PolarHBondContact O-N 2.98Å; L310-S312 VanDerWaalsContact O-N 3.13Å; S312-E314 WeakPolarHBondContact CB-OE2 3.47Å; S312-E314 PolarHBondContact O-N 3Å; S312-E314 VanDerWaalsContact OG-CD 3.28Å; S312-E314 PolarHBondContact OG-OE1 2.96Å; S312-E314 PolarHBondContact OG-OE2 3.38Å; S312-K341 PolarHBondContact OG-O 3.39Å; S312-K341 VanDerWaalsContact OG-O 3.07Å | ||
| 313 | R | 53.5 | Low | 49.3 | Very low | 193 Ų | 193 | 117.5 Ų | 117.5 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 18.5 | -165.3 | 177.5 | 164.3 | 167.1 | 146.5 | -1.2 | 114.3 | D322 I343 | R313-D322 IonicContact NH1-OD1 3.86Å; R313-I343 HydrophobicContact CB-CD1 3.83Å; R313-I343 HydrophobicContact CG-CD1 4.03Å |
| 314 | E | 52.5 | Low | 51.3 | Low | 89 Ų | 89 | 114 Ų | 114 | 42% | 0.416 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -18.5 | -176.1 | -75 | 73.1 | -99.3 | 0 | 0 | 113.9 | S312 P316 L393 | S312-E314 WeakPolarHBondContact CB-OE2 3.47Å; S312-E314 PolarHBondContact O-N 3Å; S312-E314 VanDerWaalsContact OG-CD 3.28Å; S312-E314 PolarHBondContact OG-OE1 2.96Å; S312-E314 PolarHBondContact OG-OE2 3.38Å; E314-P316 WeakPolarHBondContact O-CD 3.35Å; E314-L393 HydrophobicContact CG-CD2 4.39Å; E314-L393 WeakPolarHBondContact OE1-CD2 3.36Å |
| 315 | D | 45.8 | Very low | 53.2 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | trans | -89.2 | 119.6 | -179.6 | -77.9 | -44.4 | 0 | 0 | 0 | 112.7 | I317 | D315-I317 PolarHBondContact O-N 3.38Š| ||
| 316 | P | 34.3 | Very low | 55.4 | Low | 128 Ų | 128 | 111.1 Ų | 111.1 | 83% | 0.831 | 58% | 0.583 | S | S | * | * | trans | -80.9 | 51.9 | -178.3 | 34.7 | -37.1 | 0 | 0 | 0 | 112.9 | E314 | E314-P316 WeakPolarHBondContact O-CD 3.35Š| ||
| 317 | I | 43.7 | Very low | 57.4 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 66% | 0.662 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -125.6 | 80.2 | 176.6 | -51.4 | -179.4 | 0 | 0 | 0 | 111.1 | D315 N319 | D315-I317 PolarHBondContact O-N 3.38Å; I317-N319 PolarHBondContact O-N 2.86Å |
| 318 | Q | 35.9 | Very low | 59.3 | Low | 191 Ų | 191 | 107.2 Ų | 107.2 | 89% | 0.893 | 57% | 0.573 | S | S | * | * | trans | 44.8 | 48.9 | 140.8 | -156.7 | 178.5 | 4.8 | 0 | 0 | 117.3 | ||||
| 319 | N | 37.6 | Very low | 60.8 | Low | 142 Ų | 142 | 110.2 Ų | 110.2 | 76% | 0.759 | 59% | 0.592 | S | S | * | * | trans | -133.9 | 115.5 | 165.2 | -85.1 | -67.6 | 0 | 0 | 0 | 111.5 | I317 A321 | I317-N319 PolarHBondContact O-N 2.86Å; N319-A321 PolarHBondContact O-N 2.99Å; N319-A321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | Q | 41.4 | Very low | 62.3 | Low | 195 Ų | 195 | 106.8 Ų | 106.8 | 91% | 0.911 | 57% | 0.567 | S | S | * | * | trans | -85.6 | 65.2 | 176.6 | -172.5 | 177 | -3.1 | 0 | 0 | 109.2 | ||||
| 321 | A | 50.4 | Low | 63.4 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | trans | -119.3 | 89.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N319 F323 | N319-A321 PolarHBondContact O-N 2.99Å; N319-A321 VanDerWaalsContact O-N 3.1Å; A321-F323 PolarHBondContact O-N 2.86Å | ||
| 322 | D | 64.3 | Low | 64.8 | Low | 140 Ų | 140 | 108.2 Ų | 108.2 | 75% | 0.749 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -74.6 | 2.2 | 173.1 | -66.9 | -40.9 | 0 | 0 | 0 | 112.4 | R313 | R313-D322 IonicContact NH1-OD1 3.86Š|
| 323 | F | 68.6 | Low | 66.2 | Low | 139 Ų | 139 | 108.9 Ų | 108.9 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | trans | -128.9 | 148.1 | 174 | 66.7 | -87.7 | 0 | 0 | 0 | 111.2 | A321 | A321-F323 PolarHBondContact O-N 2.86Š| ||
| 324 | V | 79 | Confident | 67.7 | Low | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | trans | -124.9 | 118.5 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 108 | P311 L326 | P311-V324 HydrophobicContact CG-CG1 4.01Å; P311-V324 HydrophobicContact CG-CG2 4.09Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å | ||
| 325 | S | 83.5 | Confident | 69.5 | Low | 73 Ų | 73 | 101.8 Ų | 101.8 | 51% | 0.51 | 57% | 0.567 | S | S | . | * | trans | -112.7 | 138.9 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 326 | L | 86.9 | Confident | 71.6 | Confident | 73 Ų | 73 | 96.8 Ų | 96.8 | 38% | 0.382 | 54% | 0.539 | S | S | . | . | trans | -154.2 | 149.8 | -174.6 | 60.1 | 97.4 | 0 | 0 | 0 | 110.8 | L310 V324 V328 | L310-L326 HydrophobicContact CD2-CD2 3.33Å; V324-L326 HydrophobicContact CG1-CD2 4.48Å; L326-V328 HydrophobicContact CD1-CB 4.34Å; L326-V328 HydrophobicContact CD1-CG1 3.52Å; L326-V328 HydrophobicContact CD1-CG2 3.96Å | ||
| 327 | V | 89.4 | Confident | 74.4 | Confident | 116 Ų | 116 | 91.8 Ų | 91.8 | 70% | 0.703 | 51% | 0.507 | S | S | * | . | trans | -116.5 | 125.7 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | L353 | V327-L353 HydrophobicContact CG1-CD1 3.95Å; V327-L353 HydrophobicContact CG2-CD1 4.13Å | ||
| 328 | V | 89.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 86.6 Ų | 86.6 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | trans | -127.8 | 147.4 | -176.9 | -74 | 0 | 0 | 0 | 0 | 111.1 | L326 Y338 L400 | L326-V328 HydrophobicContact CD1-CB 4.34Å; L326-V328 HydrophobicContact CD1-CG1 3.52Å; L326-V328 HydrophobicContact CD1-CG2 3.96Å; V328-Y338 WeakPolarHBondContact CB-OH 3.34Å; V328-Y338 HydrophobicContact CG1-CE1 3.97Å; V328-Y338 WeakPolarHBondContact CG1-OH 3.39Å; V328-Y338 HydrophobicContact CG2-CE2 4.4Å; V328-L400 HydrophobicContact CG2-CD1 3.78Å | ||
| 329 | I | 89.5 | Confident | 79.3 | Confident | 153 Ų | 153 | 80 Ų | 80 | 79% | 0.785 | 45% | 0.448 | S | S | * | . | trans | -105.7 | 114.2 | 177 | -58.8 | 175.2 | 0 | 0 | 0 | 106.7 | P331 | I329-P331 WeakPolarHBondContact O-CD 3.3Š| ||
| 330 | V | 89.9 | Confident | 81.7 | Confident | 17 Ų | 17 | 76 Ų | 76 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | trans | -101.8 | 107.7 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | H336 I360 L400 N402 | V330-H336 HydrophobicContact CG2-CB 4.49Å; V330-I360 HydrophobicContact CB-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CD1 4.17Å; V330-I360 HydrophobicContact CG2-CD1 3.87Å; V330-L400 HydrophobicContact CG2-CB 3.97Å; V330-L400 HydrophobicContact CG2-CD1 4.04Å; V330-N402 HydrophobicContact CB-CB 4.31Å; V330-N402 HydrophobicContact CG1-CB 3.6Å; V330-N402 PolarHBondContact O-ND2 2.9Å | ||
| 331 | P | 87.7 | Confident | 84 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | trans | -60.4 | 156.9 | -178.4 | -22.6 | 33.1 | 0 | 0 | 0 | 113 | I329 V334 H336 N402 | I329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-V334 HydrophobicContact CB-CG2 3.84Å; P331-V334 HydrophobicContact CG-CG2 4.04Å; P331-V334 WeakPolarHBondContact O-CG2 3.27Å; P331-H336 WeakPolarHBondContact CD-NE2 3.46Å; P331-N402 WeakPolarHBondContact O-CB 3.47Å; P331-N402 PolarHBondContact O-ND2 3.49Å | ||
| 332 | P | 84.4 | Confident | 85.8 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 138.7 | 176.4 | 27.5 | -34.6 | 0 | 0 | 0 | 111.2 | V334 A405 | P332-V334 VanDerWaalsContact C-N 3.32Å; P332-V334 PolarHBondContact O-N 3.11Å; P332-A405 HydrophobicContact CB-CB 3.56Å |
| 333 | G | 81.8 | Confident | 86.7 | Confident | 39 Ų | 39 | 65 Ų | 65 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 2.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | N402 | G333-N402 PolarHBondContact N-O 3.23Š|
| 334 | V | 85.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -123.4 | 171.6 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | P331 P332 N402 | P331-V334 HydrophobicContact CB-CG2 3.84Å; P331-V334 HydrophobicContact CG-CG2 4.04Å; P331-V334 WeakPolarHBondContact O-CG2 3.27Å; P332-V334 VanDerWaalsContact C-N 3.32Å; P332-V334 PolarHBondContact O-N 3.11Å; V334-N402 CarbonylContact O-C 3.56Å; V334-N402 WeakPolarHBondContact O-CA 3.37Å; V334-N402 PolarHBondContact O-N 3.12Å | ||
| 335 | K | 89.4 | Confident | 88 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.6 | 173.2 | 70.6 | -160.8 | -178.9 | -163.3 | 0 | 108.3 | F363 L400 D401 | K335-F363 HydrophobicContact CD-CZ 4.25Å; K335-L400 CarbonylContact C-O 3.48Å; K335-L400 WeakPolarHBondContact CA-O 3.31Å; K335-L400 WeakPolarHBondContact CB-O 3.35Å; K335-D401 HydrophobicContact CB-CB 4.35Å |
| 336 | H | 90.4 | Very high | 88.3 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.5 | 174.5 | -81.6 | -85 | 0 | 0 | 0 | 110 | V330 P331 Y338 C399 L400 | V330-H336 HydrophobicContact CG2-CB 4.49Å; P331-H336 WeakPolarHBondContact CD-NE2 3.46Å; H336-Y338 HydrophobicContact CB-CE2 4.03Å; H336-C399 CarbonylContact O-C 3.53Å; H336-C399 WeakPolarHBondContact O-CA 3.14Å; H336-L400 PolarHBondContact N-O 3.47Å; H336-L400 PolarHBondContact O-N 2.62Å |
| 337 | C | 92.8 | Very high | 88.5 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.1 | -176.2 | -65.3 | 0 | 0 | 0 | 0 | 111 | I398 C399 | C337-I398 WeakPolarHBondContact CA-O 3.47Å; C337-C399 HydrophobicContact CB-CB 4.14Å; C337-C399 WeakPolarHBondContact CB-SG 3.48Å; C337-C399 WeakPolarHBondContact SG-CB 3.19Å; C337-C399 CovalentContact SG-SG 2.04Å; C337-C399 PolarHBondContact SG-SG 3.1Å |
| 338 | Y | 91.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.2 | -179.2 | -58.3 | -86.8 | 0 | 0 | 0 | 109.1 | F308 V328 H336 I398 L400 | F308-Y338 HydrophobicContact CB-CD1 3.51Å; F308-Y338 HydrophobicContact CB-CE1 3.83Å; F308-Y338 HydrophobicContact CD2-CD1 4.29Å; F308-Y338 AromaticContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CD2-CE1 3.74Å; F308-Y338 HydrophobicContact CG-CD1 4.13Å; F308-Y338 AromaticContact CG-CE1 3.92Å; F308-Y338 HydrophobicContact CG-CE1 3.92Å; V328-Y338 WeakPolarHBondContact CB-OH 3.34Å; V328-Y338 HydrophobicContact CG1-CE1 3.97Å; V328-Y338 WeakPolarHBondContact CG1-OH 3.39Å; V328-Y338 HydrophobicContact CG2-CE2 4.4Å; H336-Y338 HydrophobicContact CB-CE2 4.03Å; Y338-I398 PolarHBondContact N-O 3.17Å; Y338-I398 PolarHBondContact O-N 3.02Å; Y338-L400 HydrophobicContact CE2-CD1 4.28Å |
| 339 | F | 91 | Very high | 88.6 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 23% | 0.232 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.4 | -177.1 | -67.2 | -86.9 | 0 | 0 | 0 | 111.1 | I307 F308 S309 L310 P395 Y396 A397 | I307-F339 HydrophobicContact CG2-CD2 3.77Å; I307-F339 HydrophobicContact CG2-CE2 4.03Å; F308-F339 PolarHBondContact O-N 3.47Å; S309-F339 WeakPolarHBondContact CA-O 3.28Å; L310-F339 PolarHBondContact N-O 3.42Å; F339-P395 HydrophobicContact CB-CB 4.48Å; F339-P395 HydrophobicContact CD1-CB 4.25Å; F339-Y396 WeakPolarHBondContact CA-O 3.38Å; F339-A397 HydrophobicContact CD1-CB 4.02Å; F339-A397 HydrophobicContact CE1-CB 3.72Å; F339-A397 HydrophobicContact CZ-CB 4.39Å |
| 340 | Y | 89.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.4 | 179.9 | -177.2 | -121.8 | 0 | 0 | 0 | 111.3 | L310 P342 F346 P395 Y396 | L310-Y340 HydrophobicContact CB-CD2 3.96Å; Y340-P342 VanDerWaalsContact C-CD 3.47Å; Y340-P342 HydrophobicContact CD1-CB 4.21Å; Y340-P342 HydrophobicContact CD1-CG 4.43Å; Y340-P342 HydrophobicContact CE1-CB 3.89Å; Y340-P342 WeakPolarHBondContact O-CD 3.35Å; Y340-F346 HydrophobicContact CD1-CD2 4.09Å; Y340-F346 HydrophobicContact CD1-CE2 4.22Å; Y340-F346 HydrophobicContact CD1-CG 4.25Å; Y340-F346 HydrophobicContact CD1-CZ 4.5Å; Y340-F346 HydrophobicContact CE1-CB 4.13Å; Y340-F346 HydrophobicContact CE1-CD1 4.4Å; Y340-F346 HydrophobicContact CE1-CD2 4.18Å; Y340-F346 AromaticContact CE1-CG 3.99Å; Y340-F346 HydrophobicContact CE1-CG 3.99Å; Y340-P395 CarbonylContact O-C 3.52Å; Y340-P395 WeakPolarHBondContact O-CA 3.44Å; Y340-Y396 PolarHBondContact N-O 2.8Å; Y340-Y396 PolarHBondContact O-N 2.66Å |
| 341 | K | 89.7 | Confident | 88.8 | Confident | 94 Ų | 94 | 53 Ų | 53 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | trans | -114.9 | 72.6 | -174.8 | -66.6 | 179.8 | -176.2 | 173.5 | 0 | 112 | S312 I343 P395 | S312-K341 PolarHBondContact OG-O 3.39Å; S312-K341 VanDerWaalsContact OG-O 3.07Å; K341-I343 PolarHBondContact O-N 2.94Å; K341-P395 HydrophobicContact CG-CB 4.31Å | ||
| 342 | P | 86.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -61.6 | 134.9 | -174.5 | 25.5 | -35.7 | 0 | 0 | 0 | 113.6 | Y340 T344 F346 V387 R392 L393 Y396 | Y340-P342 VanDerWaalsContact C-CD 3.47Å; Y340-P342 HydrophobicContact CD1-CB 4.21Å; Y340-P342 HydrophobicContact CD1-CG 4.43Å; Y340-P342 HydrophobicContact CE1-CB 3.89Å; Y340-P342 WeakPolarHBondContact O-CD 3.35Å; P342-T344 VanDerWaalsContact CB-O 3.31Å; P342-T344 WeakPolarHBondContact CB-O 3.27Å; P342-F346 HydrophobicContact CB-CD1 3.61Å; P342-F346 HydrophobicContact CB-CE1 3.97Å; P342-F346 HydrophobicContact CB-CG 4.44Å; P342-F346 HydrophobicContact CG-CD1 3.91Å; P342-F346 HydrophobicContact CG-CE1 3.71Å; P342-V387 HydrophobicContact CB-CG1 4.4Å; P342-V387 HydrophobicContact CB-CG2 3.91Å; P342-V387 HydrophobicContact CG-CG1 4.16Å; P342-V387 HydrophobicContact CG-CG2 3.83Å; P342-R392 WeakPolarHBondContact O-CA 3.28Å; P342-L393 PolarHBondContact O-N 3.41Å; P342-Y396 HydrophobicContact CG-CD2 3.49Å; P342-Y396 VanDerWaalsContact CG-CD2 3.49Å; P342-Y396 HydrophobicContact CG-CE2 3.57Å; P342-Y396 HydrophobicContact CG-CG 4.19Å | ||
| 343 | I | 83.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -84.6 | -29.7 | 166.3 | -61.7 | 177.5 | 0 | 0 | 0 | 110.7 | R313 K341 R392 L393 | R313-I343 HydrophobicContact CB-CD1 3.83Å; R313-I343 HydrophobicContact CG-CD1 4.03Å; K341-I343 PolarHBondContact O-N 2.94Å; I343-R392 VanDerWaalsContact O-CD 3.25Å; I343-R392 WeakPolarHBondContact O-CD 3.46Å; I343-R392 WeakPolarHBondContact O-CG 3.5Å; I343-R392 PolarHBondContact O-NE 3.22Å; I343-L393 HydrophobicContact CD1-CD2 4.21Å; I343-L393 HydrophobicContact CG1-CD2 3.7Å; I343-L393 HydrophobicContact CG1-CG 4.36Å |
| 344 | T | 86.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -135.1 | 177 | -176.3 | 55 | 0 | 0 | 0 | 0 | 110.5 | P342 V387 | P342-T344 VanDerWaalsContact CB-O 3.31Å; P342-T344 WeakPolarHBondContact CB-O 3.27Å; T344-V387 WeakPolarHBondContact O-CG2 3.46Å |
| 345 | N | 88.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | trans | -51.1 | 145.7 | 165.8 | -60.6 | 7.7 | 0 | 0 | 0 | 110.4 | I385 S386 V387 | N345-I385 VanDerWaalsContact CA-O 3.29Å; N345-I385 WeakPolarHBondContact CA-O 3.41Å; N345-I385 WeakPolarHBondContact CB-O 3.21Å; N345-S386 PolarHBondContact ND2-OG 3.17Å; N345-V387 PolarHBondContact OD1-N 3.1Å | ||
| 346 | F | 90.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.7 | -177.8 | 68.9 | -79.5 | 0 | 0 | 0 | 111.2 | Y340 P342 V348 I385 V387 Y396 I398 | Y340-F346 HydrophobicContact CD1-CD2 4.09Å; Y340-F346 HydrophobicContact CD1-CE2 4.22Å; Y340-F346 HydrophobicContact CD1-CG 4.25Å; Y340-F346 HydrophobicContact CD1-CZ 4.5Å; Y340-F346 HydrophobicContact CE1-CB 4.13Å; Y340-F346 HydrophobicContact CE1-CD1 4.4Å; Y340-F346 HydrophobicContact CE1-CD2 4.18Å; Y340-F346 AromaticContact CE1-CG 3.99Å; Y340-F346 HydrophobicContact CE1-CG 3.99Å; P342-F346 HydrophobicContact CB-CD1 3.61Å; P342-F346 HydrophobicContact CB-CE1 3.97Å; P342-F346 HydrophobicContact CB-CG 4.44Å; P342-F346 HydrophobicContact CG-CD1 3.91Å; P342-F346 HydrophobicContact CG-CE1 3.71Å; F346-V348 HydrophobicContact CD2-CG2 3.8Å; F346-V348 HydrophobicContact CE2-CG2 3.56Å; F346-I385 HydrophobicContact CD1-CB 4.06Å; F346-I385 HydrophobicContact CD1-CG2 4.23Å; F346-I385 HydrophobicContact CE1-CB 3.67Å; F346-I385 HydrophobicContact CE1-CG1 4.31Å; F346-I385 HydrophobicContact CE1-CG2 3.52Å; F346-I385 HydrophobicContact CE2-CB 4.32Å; F346-I385 HydrophobicContact CE2-CG1 4.2Å; F346-I385 HydrophobicContact CZ-CB 3.82Å; F346-I385 HydrophobicContact CZ-CG1 3.93Å; F346-I385 HydrophobicContact CZ-CG2 3.89Å; F346-I385 PolarHBondContact N-O 2.97Å; F346-I385 VanDerWaalsContact N-O 3.11Å; F346-I385 PolarHBondContact O-N 3Å; F346-V387 HydrophobicContact CD1-CG2 3.65Å; F346-V387 HydrophobicContact CE1-CG2 3.7Å; F346-Y396 HydrophobicContact CE1-CD1 4Å; F346-Y396 HydrophobicContact CE1-CE1 4.22Å; F346-Y396 HydrophobicContact CE1-CG 4.29Å; F346-Y396 AromaticContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CG 4.24Å; F346-I398 HydrophobicContact CE2-CD1 4.06Å |
| 347 | D | 90.5 | Very high | 87.7 | Confident | 71 Ų | 71 | 60 Ų | 60 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.4 | 176.4 | -69.2 | -65.8 | 0 | 0 | 0 | 109.9 | S384 | D347-S384 VanDerWaalsContact OD1-CA 3.3Å; D347-S384 WeakPolarHBondContact OD1-CA 3.12Å; D347-S384 WeakPolarHBondContact OD1-CB 3.39Å; D347-S384 PolarHBondContact OD1-OG 3.34Å |
| 348 | V | 90.6 | Very high | 87.3 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.1 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | F346 I362 I364 Q382 V383 I398 | F346-V348 HydrophobicContact CD2-CG2 3.8Å; F346-V348 HydrophobicContact CE2-CG2 3.56Å; V348-I362 HydrophobicContact CG1-CD1 3.89Å; V348-I364 HydrophobicContact CB-CD1 4.19Å; V348-I364 HydrophobicContact CG2-CD1 3.85Å; V348-Q382 CarbonylContact O-C 3.57Å; V348-Q382 WeakPolarHBondContact O-CA 3.37Å; V348-V383 PolarHBondContact N-O 2.99Å; V348-V383 PolarHBondContact O-N 3.29Å; V348-I398 HydrophobicContact CG1-CG2 4.14Å; V348-I398 HydrophobicContact CG2-CD1 3.91Å |
| 349 | E | 90.5 | Very high | 87.1 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.9 | 175 | -173.9 | 171.4 | -175.1 | 0 | 0 | 108.5 | H465 | E349-H465 IonicContact OE2-CE1 3.53Å; E349-H465 IonicContact OE2-ND1 2.87Å; E349-H465 PolarHBondContact OE2-ND1 3.45Å |
| 350 | Y | 90.8 | Very high | 87 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 155.4 | 175.7 | 73.4 | -86.1 | 0 | 0 | 0 | 111.6 | I360 I362 D380 S381 | Y350-I360 HydrophobicContact CD2-CG2 3.9Å; Y350-I360 HydrophobicContact CE2-CG2 3.66Å; Y350-I362 HydrophobicContact CD1-CD1 3.87Å; Y350-I362 HydrophobicContact CD1-CG2 4.3Å; Y350-I362 HydrophobicContact CE1-CB 3.95Å; Y350-I362 HydrophobicContact CE1-CD1 4.09Å; Y350-I362 HydrophobicContact CE1-CG2 3.42Å; Y350-I362 VanDerWaalsContact CE1-CG2 3.42Å; Y350-D380 WeakPolarHBondContact O-CA 3.28Å; Y350-S381 WeakPolarHBondContact CD1-O 3.46Å; Y350-S381 VanDerWaalsContact CE1-CB 3.42Å; Y350-S381 PolarHBondContact N-O 2.88Å; Y350-S381 VanDerWaalsContact N-O 3.14Å; Y350-S381 PolarHBondContact O-N 3.04Å |
| 351 | Q | 91.5 | Very high | 87 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.8 | 177.6 | -175.3 | 172.8 | -6.2 | 0 | 0 | 109.6 | L353 S379 D380 N472 | Q351-L353 PolarHBondContact O-N 2.93Å; Q351-S379 CarbonylContact C-O 3.14Å; Q351-S379 WeakPolarHBondContact CA-O 3.26Å; Q351-D380 HydrophobicContact CG-CB 4.5Å; Q351-N472 PolarHBondContact OE1-ND2 3.41Å |
| 352 | V | 90.3 | Very high | 87 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | trans | -78.6 | 109.6 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | L358 I360 S379 | V352-L358 HydrophobicContact CG1-CB 4.42Å; V352-L358 HydrophobicContact CG1-CD2 4.32Å; V352-I360 HydrophobicContact CG2-CB 3.97Å; V352-I360 HydrophobicContact CG2-CG2 3.54Å; V352-S379 PolarHBondContact N-O 3.21Å | ||
| 353 | L | 88.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | trans | -78.2 | -38.6 | -176.4 | -59.3 | -179.5 | 0 | 0 | 0 | 113.3 | V327 Q351 | V327-L353 HydrophobicContact CG1-CD1 3.95Å; V327-L353 HydrophobicContact CG2-CD1 4.13Å; Q351-L353 PolarHBondContact O-N 2.93Å | ||
| 354 | K | 84.3 | Confident | 87.6 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -154.1 | 152.5 | -179.6 | -69.7 | -163.3 | 175.5 | -123.7 | 0 | 112.1 | E483 | K354-E483 IonicContact NZ-OE1 3.91Å; K354-E483 PolarHBondContact NZ-OE1 2.92Å |
| 355 | G | 79.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 110.2 | 151.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H357 L358 | G355-H357 PolarHBondContact O-N 2.88Å; G355-L358 WeakPolarHBondContact O-CA 3.34Å; G355-L358 PolarHBondContact O-N 2.98Å |
| 356 | G | 74.3 | Confident | 87.9 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 89% | 0.887 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -131.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L358 | G356-L358 VanDerWaalsContact C-N 3.29Š|
| 357 | H | 81.2 | Confident | 88 | Confident | 153 Ų | 153 | 51.5 Ų | 51.5 | 71% | 0.708 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 18.1 | 171 | -67.3 | -80.7 | 0 | 0 | 0 | 112.5 | G355 D359 | G355-H357 PolarHBondContact O-N 2.88Å; H357-D359 VanDerWaalsContact C-N 3.29Å; H357-D359 WeakPolarHBondContact CB-OD1 3.38Å; H357-D359 PolarHBondContact O-N 3.29Å |
| 358 | L | 84.6 | Confident | 87.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 56.5 | 39.3 | -171.4 | -59 | 173.4 | 0 | 0 | 0 | 113 | V352 G355 G356 S379 | V352-L358 HydrophobicContact CG1-CB 4.42Å; V352-L358 HydrophobicContact CG1-CD2 4.32Å; G355-L358 WeakPolarHBondContact O-CA 3.34Å; G355-L358 PolarHBondContact O-N 2.98Å; G356-L358 VanDerWaalsContact C-N 3.29Å; L358-S379 WeakPolarHBondContact O-CA 3.44Å |
| 359 | D | 86.7 | Confident | 87.7 | Confident | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | trans | -131.8 | 141.3 | -179.3 | 65.8 | -27.6 | 0 | 0 | 0 | 113.1 | H357 P377 L378 K404 | H357-D359 VanDerWaalsContact C-N 3.29Å; H357-D359 WeakPolarHBondContact CB-OD1 3.38Å; H357-D359 PolarHBondContact O-N 3.29Å; D359-P377 HydrophobicContact CB-CB 3.96Å; D359-P377 WeakPolarHBondContact OD2-CB 3.3Å; D359-L378 WeakPolarHBondContact CA-O 3.34Å; D359-K404 WeakPolarHBondContact OD2-CD 3.39Å; D359-K404 WeakPolarHBondContact OD2-CE 3.31Å; D359-K404 IonicContact OD2-NZ 2.62Å; D359-K404 PolarHBondContact OD2-NZ 3.34Å | ||
| 360 | I | 88.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.1 | 174 | -159.3 | 166 | 0 | 0 | 0 | 110.6 | V330 Y350 V352 P377 L378 L400 D401 N402 | V330-I360 HydrophobicContact CB-CD1 3.92Å; V330-I360 HydrophobicContact CG1-CD1 4.17Å; V330-I360 HydrophobicContact CG2-CD1 3.87Å; Y350-I360 HydrophobicContact CD2-CG2 3.9Å; Y350-I360 HydrophobicContact CE2-CG2 3.66Å; V352-I360 HydrophobicContact CG2-CB 3.97Å; V352-I360 HydrophobicContact CG2-CG2 3.54Å; I360-P377 WeakPolarHBondContact O-CA 3.37Å; I360-L378 PolarHBondContact N-O 3.34Å; I360-L378 PolarHBondContact O-N 2.76Å; I360-L378 VanDerWaalsContact O-N 3.15Å; I360-L400 HydrophobicContact CD1-CB 3.9Å; I360-L400 HydrophobicContact CG1-CB 4.49Å; I360-D401 WeakPolarHBondContact CG1-O 3.33Å; I360-N402 HydrophobicContact CD1-CB 4.41Å; I360-N402 HydrophobicContact CG1-CB 4.5Å |
| 361 | G | 88.7 | Confident | 87.3 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L400 D401 | G361-L400 WeakPolarHBondContact O-CA 3.48Å; G361-D401 PolarHBondContact N-O 2.59Å; G361-D401 PolarHBondContact O-N 2.97Å |
| 362 | I | 90.7 | Very high | 87 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.1 | 167.1 | -169.8 | 167.2 | 0 | 0 | 0 | 110.1 | V348 Y350 I364 R375 I398 C399 L400 | V348-I362 HydrophobicContact CG1-CD1 3.89Å; Y350-I362 HydrophobicContact CD1-CD1 3.87Å; Y350-I362 HydrophobicContact CD1-CG2 4.3Å; Y350-I362 HydrophobicContact CE1-CB 3.95Å; Y350-I362 HydrophobicContact CE1-CD1 4.09Å; Y350-I362 HydrophobicContact CE1-CG2 3.42Å; Y350-I362 VanDerWaalsContact CE1-CG2 3.42Å; I362-I364 HydrophobicContact CG1-CG1 4.47Å; I362-R375 HydrophobicContact CG2-CB 3.69Å; I362-R375 HydrophobicContact CG2-CG 3.75Å; I362-R375 PolarHBondContact O-N 3.41Å; I362-I398 HydrophobicContact CD1-CG2 4.12Å; I362-C399 WeakPolarHBondContact CA-O 3.34Å; I362-L400 HydrophobicContact CB-CD2 4.36Å; I362-L400 HydrophobicContact CD1-CD2 4.07Å; I362-L400 HydrophobicContact CG1-CD2 4.15Å |
| 363 | F | 90.1 | Very high | 86.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.6 | 165.6 | 63.8 | -88.9 | 0 | 0 | 0 | 110.7 | K335 R365 T373 I374 C399 D401 | K335-F363 HydrophobicContact CD-CZ 4.25Å; F363-R365 HydrophobicContact CD2-CG 4.34Å; F363-T373 CarbonylContact C-O 3.58Å; F363-T373 VanDerWaalsContact CA-O 3.26Å; F363-T373 WeakPolarHBondContact CA-O 3.09Å; F363-I374 HydrophobicContact CB-CB 4.49Å; F363-I374 HydrophobicContact CB-CG1 4.13Å; F363-I374 HydrophobicContact CB-CG2 4.41Å; F363-C399 HydrophobicContact CD1-CB 3.98Å; F363-C399 HydrophobicContact CD2-CB 3.77Å; F363-C399 HydrophobicContact CE1-CB 3.6Å; F363-C399 HydrophobicContact CE2-CB 3.37Å; F363-C399 WeakPolarHBondContact CE2-SG 3.47Å; F363-C399 HydrophobicContact CG-CB 4.06Å; F363-C399 HydrophobicContact CZ-CB 3.27Å; F363-C399 PolarHBondContact N-O 2.85Å; F363-C399 WeakPolarHBondContact O-CB 3.41Å; F363-C399 PolarHBondContact O-N 3.16Å; F363-D401 HydrophobicContact CD1-CB 4.38Å; F363-D401 HydrophobicContact CE1-CB 4.14Å |
| 364 | I | 92.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.6 | -179.4 | -60.4 | 175.2 | 0 | 0 | 0 | 107.9 | V348 I362 P371 I372 T373 V383 I385 A397 I398 | V348-I364 HydrophobicContact CB-CD1 4.19Å; V348-I364 HydrophobicContact CG2-CD1 3.85Å; I362-I364 HydrophobicContact CG1-CG1 4.47Å; I364-P371 CarbonylContact O-C 3.58Å; I364-P371 WeakPolarHBondContact O-CA 3.41Å; I364-I372 PolarHBondContact O-N 2.9Å; I364-T373 PolarHBondContact N-O 3.32Å; I364-T373 PolarHBondContact O-N 3.04Å; I364-V383 HydrophobicContact CD1-CB 4.27Å; I364-V383 HydrophobicContact CD1-CG1 3.97Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CD1-CG1 4.05Å; I364-I385 HydrophobicContact CG2-CD1 4.29Å; I364-I385 HydrophobicContact CG2-CG1 4.44Å; I364-A397 WeakPolarHBondContact CA-O 3.38Å; I364-I398 HydrophobicContact CG1-CG1 4.46Å; I364-I398 HydrophobicContact CG1-CG2 4.33Å |
| 365 | R | 91.8 | Very high | 86.7 | Confident | 109 Ų | 109 | 59.2 Ų | 59.2 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.7 | 174.7 | -64.5 | 175 | 177.3 | -163.3 | -5.4 | 111.5 | F363 G369 E370 P371 Y396 A397 | F363-R365 HydrophobicContact CD2-CG 4.34Å; R365-G369 WeakPolarHBondContact CD-O 3.49Å; R365-E370 VanDerWaalsContact CA-O 3.23Å; R365-E370 WeakPolarHBondContact CA-O 3.31Å; R365-P371 HydrophobicContact CG-CB 4.48Å; R365-Y396 WeakPolarHBondContact O-CA 3.46Å; R365-A397 HydrophobicContact CB-CB 4.35Å; R365-A397 PolarHBondContact N-O 2.74Å; R365-A397 PolarHBondContact O-N 2.89Å |
| 366 | D | 90.9 | Very high | 86.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | trans | -75.3 | 177.7 | 170.6 | 74.4 | 11.2 | 0 | 0 | 0 | 111.9 | E368 G369 E370 I372 F391 | D366-E368 VanDerWaalsContact C-N 3.27Å; D366-E368 PolarHBondContact O-N 3.44Å; D366-E368 WeakPolarHBondContact OD1-CA 3.34Å; D366-E368 PolarHBondContact OD1-N 3.32Å; D366-G369 PolarHBondContact O-N 3.42Å; D366-G369 PolarHBondContact OD1-N 2.81Å; D366-E370 PolarHBondContact N-O 2.96Å; D366-E370 PolarHBondContact OD1-N 3.01Å; D366-I372 HydrophobicContact CB-CD1 3.66Å; D366-I372 HydrophobicContact CB-CG1 3.88Å; D366-F391 HydrophobicContact CB-CD2 4.38Å; D366-F391 HydrophobicContact CB-CE2 3.87Å; D366-F391 HydrophobicContact CB-CZ 4.35Å | ||
| 367 | P | 91.1 | Very high | 87.4 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -68.5 | -15.9 | 176.6 | -22 | 35.1 | 0 | 0 | 0 | 115.8 | F391 M394 Y396 | P367-F391 HydrophobicContact CB-CD1 4.2Å; P367-F391 HydrophobicContact CB-CE1 4.34Å; P367-F391 HydrophobicContact CG-CB 4.11Å; P367-F391 HydrophobicContact CG-CD1 3.83Å; P367-F391 HydrophobicContact CG-CE1 4.33Å; P367-F391 HydrophobicContact CG-CG 3.96Å; P367-M394 HydrophobicContact CB-CB 3.72Å; P367-M394 HydrophobicContact CB-SD 4.07Å; P367-M394 HydrophobicContact CG-CB 3.44Å; P367-M394 VanDerWaalsContact CG-CB 3.44Å; P367-M394 HydrophobicContact CG-CG 4.48Å; P367-M394 HydrophobicContact CG-SD 4.35Å; P367-Y396 HydrophobicContact CG-CD2 3.97Å; P367-Y396 HydrophobicContact CG-CE2 3.82Å |
| 368 | E | 89.6 | Confident | 87.7 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -84.6 | -21.5 | 174 | -75 | 173 | -160.8 | 0 | 0 | 111.3 | D366 F391 | D366-E368 VanDerWaalsContact C-N 3.27Å; D366-E368 PolarHBondContact O-N 3.44Å; D366-E368 WeakPolarHBondContact OD1-CA 3.34Å; D366-E368 PolarHBondContact OD1-N 3.32Å; E368-F391 HydrophobicContact CB-CZ 4.35Å; E368-F391 HydrophobicContact CG-CE1 3.83Å; E368-F391 HydrophobicContact CG-CZ 3.84Å; E368-F391 WeakPolarHBondContact OE1-CE1 3.35Å; E368-F391 WeakPolarHBondContact OE1-CZ 3.28Å |
| 369 | G | 85.7 | Confident | 87.8 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 111.6 | -1.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R365 D366 | R365-G369 WeakPolarHBondContact CD-O 3.49Å; D366-G369 PolarHBondContact O-N 3.42Å; D366-G369 PolarHBondContact OD1-N 2.81Å |
| 370 | E | 86.5 | Confident | 87.9 | Confident | 122 Ų | 122 | 53.5 Ų | 53.5 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | trans | -78.6 | 142.6 | -177.5 | -71.5 | -61.6 | 153.8 | 0 | 0 | 111.5 | R365 D366 I372 | R365-E370 VanDerWaalsContact CA-O 3.23Å; R365-E370 WeakPolarHBondContact CA-O 3.31Å; D366-E370 PolarHBondContact N-O 2.96Å; D366-E370 PolarHBondContact OD1-N 3.01Å; E370-I372 PolarHBondContact O-N 3.37Å | ||
| 371 | P | 85.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 97.4 | -174.5 | 33.3 | -33.6 | 0 | 0 | 0 | 112.1 | I364 R365 T373 I374 L425 | I364-P371 CarbonylContact O-C 3.58Å; I364-P371 WeakPolarHBondContact O-CA 3.41Å; R365-P371 HydrophobicContact CG-CB 4.48Å; P371-T373 PolarHBondContact O-N 2.82Å; P371-I374 HydrophobicContact CB-CD1 4.02Å; P371-I374 HydrophobicContact CB-CG1 3.99Å; P371-I374 HydrophobicContact CG-CD1 4.23Å; P371-L425 HydrophobicContact CG-CD1 3.88Å; P371-L425 HydrophobicContact CG-CD2 4.23Å |
| 372 | I | 87 | Confident | 87.8 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | -37 | 176 | -57.2 | 159.1 | 0 | 0 | 0 | 111.8 | I364 D366 E370 I385 Y396 | I364-I372 PolarHBondContact O-N 2.9Å; D366-I372 HydrophobicContact CB-CD1 3.66Å; D366-I372 HydrophobicContact CB-CG1 3.88Å; E370-I372 PolarHBondContact O-N 3.37Å; I372-I385 HydrophobicContact CB-CD1 4.47Å; I372-I385 HydrophobicContact CD1-CG2 4.28Å; I372-I385 HydrophobicContact CG2-CD1 3.89Å; I372-Y396 HydrophobicContact CD1-CD1 3.73Å; I372-Y396 HydrophobicContact CD1-CE1 3.4Å; I372-Y396 VanDerWaalsContact CD1-CE1 3.4Å |
| 373 | T | 84.9 | Confident | 87.8 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 135.7 | 179.6 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | F363 I364 P371 R375 V383 | F363-T373 CarbonylContact C-O 3.58Å; F363-T373 VanDerWaalsContact CA-O 3.26Å; F363-T373 WeakPolarHBondContact CA-O 3.09Å; I364-T373 PolarHBondContact N-O 3.32Å; I364-T373 PolarHBondContact O-N 3.04Å; P371-T373 PolarHBondContact O-N 2.82Å; T373-R375 HydrophobicContact CG2-CG 4.22Å; T373-V383 HydrophobicContact CG2-CG1 3.76Å; T373-V383 HydrophobicContact CG2-CG2 4.15Å |
| 374 | I | 86.2 | Confident | 87.8 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.4 | 170.2 | -53.6 | 175.9 | 0 | 0 | 0 | 106.6 | F363 P371 L425 | F363-I374 HydrophobicContact CB-CB 4.49Å; F363-I374 HydrophobicContact CB-CG1 4.13Å; F363-I374 HydrophobicContact CB-CG2 4.41Å; P371-I374 HydrophobicContact CB-CD1 4.02Å; P371-I374 HydrophobicContact CB-CG1 3.99Å; P371-I374 HydrophobicContact CG-CD1 4.23Å; I374-L425 HydrophobicContact CD1-CD1 4.23Å |
| 375 | R | 84.9 | Confident | 87.7 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.5 | 169.9 | -59.5 | -62.6 | -159.9 | 171.2 | 6.6 | 109.4 | I362 T373 L378 V383 | I362-R375 HydrophobicContact CG2-CB 3.69Å; I362-R375 HydrophobicContact CG2-CG 3.75Å; I362-R375 PolarHBondContact O-N 3.41Å; T373-R375 HydrophobicContact CG2-CG 4.22Å; R375-L378 HydrophobicContact CB-CD1 4.43Å; R375-V383 HydrophobicContact CG-CG2 4.15Å |
| 376 | P | 83.3 | Confident | 87.6 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 165.3 | 169.5 | 32.1 | -36.4 | 0 | 0 | 0 | 110.3 | L378 W411 | P376-L378 HydrophobicContact CG-CD1 4.48Å; P376-L378 WeakPolarHBondContact O-CG 3.45Å; P376-L378 PolarHBondContact O-N 3.1Å; P376-W411 HydrophobicContact CB-CE3 4.11Å |
| 377 | P | 86.1 | Confident | 87.5 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 122 | 177.1 | -27.6 | 36.9 | 0 | 0 | 0 | 113.2 | D359 I360 K404 W411 | D359-P377 HydrophobicContact CB-CB 3.96Å; D359-P377 WeakPolarHBondContact OD2-CB 3.3Å; I360-P377 WeakPolarHBondContact O-CA 3.37Å; P377-K404 HydrophobicContact CB-CD 4Å; P377-K404 HydrophobicContact CG-CD 3.99Å; P377-W411 HydrophobicContact CG-CD2 4.21Å; P377-W411 HydrophobicContact CG-CH2 4.48Å; P377-W411 HydrophobicContact CG-CZ2 3.84Å |
| 378 | L | 87.2 | Confident | 87.3 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.5 | -175.5 | -74.3 | 160.9 | 0 | 0 | 0 | 110.7 | D359 I360 R375 P376 | D359-L378 WeakPolarHBondContact CA-O 3.34Å; I360-L378 PolarHBondContact N-O 3.34Å; I360-L378 PolarHBondContact O-N 2.76Å; I360-L378 VanDerWaalsContact O-N 3.15Å; R375-L378 HydrophobicContact CB-CD1 4.43Å; P376-L378 HydrophobicContact CG-CD1 4.48Å; P376-L378 WeakPolarHBondContact O-CG 3.45Å; P376-L378 PolarHBondContact O-N 3.1Å |
| 379 | S | 87 | Confident | 87.1 | Confident | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -73.3 | -40.9 | 175.2 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | Q351 V352 L358 | Q351-S379 CarbonylContact C-O 3.14Å; Q351-S379 WeakPolarHBondContact CA-O 3.26Å; V352-S379 PolarHBondContact N-O 3.21Å; L358-S379 WeakPolarHBondContact O-CA 3.44Å |
| 380 | D | 88.5 | Confident | 87.2 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.1 | -176.4 | 57.3 | -53.4 | 0 | 0 | 0 | 109.7 | Y350 Q351 R469 | Y350-D380 WeakPolarHBondContact O-CA 3.28Å; Q351-D380 HydrophobicContact CG-CB 4.5Å; D380-R469 IonicContact OD2-NH2 2.9Å; D380-R469 PolarHBondContact OD2-NH2 3.47Å |
| 381 | S | 86.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 154.5 | 172.5 | -141.9 | 0 | 0 | 0 | 0 | 113.2 | Y350 | Y350-S381 WeakPolarHBondContact CD1-O 3.46Å; Y350-S381 VanDerWaalsContact CE1-CB 3.42Å; Y350-S381 PolarHBondContact N-O 2.88Å; Y350-S381 VanDerWaalsContact N-O 3.14Å; Y350-S381 PolarHBondContact O-N 3.04Å |
| 382 | Q | 89.5 | Confident | 87.1 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.8 | 172.1 | -177.1 | -175.6 | -0.2 | 0 | 0 | 109.6 | V348 | V348-Q382 CarbonylContact O-C 3.57Å; V348-Q382 WeakPolarHBondContact O-CA 3.37Å |
| 383 | V | 88.9 | Confident | 87 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 114.1 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | V348 I364 T373 R375 I385 | V348-V383 PolarHBondContact N-O 2.99Å; V348-V383 PolarHBondContact O-N 3.29Å; I364-V383 HydrophobicContact CD1-CB 4.27Å; I364-V383 HydrophobicContact CD1-CG1 3.97Å; T373-V383 HydrophobicContact CG2-CG1 3.76Å; T373-V383 HydrophobicContact CG2-CG2 4.15Å; R375-V383 HydrophobicContact CG-CG2 4.15Å; V383-I385 HydrophobicContact CG1-CD1 3.72Å; V383-I385 HydrophobicContact CG1-CG1 4.27Å |
| 384 | S | 90.3 | Very high | 87.1 | Confident | 80 Ų | 80 | 65 Ų | 65 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.8 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | D347 | D347-S384 VanDerWaalsContact OD1-CA 3.3Å; D347-S384 WeakPolarHBondContact OD1-CA 3.12Å; D347-S384 WeakPolarHBondContact OD1-CB 3.39Å; D347-S384 PolarHBondContact OD1-OG 3.34Å |
| 385 | I | 89.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.2 | -179.7 | -58.4 | -63.6 | 0 | 0 | 0 | 110.1 | N345 F346 I364 I372 V383 V387 Y396 | N345-I385 VanDerWaalsContact CA-O 3.29Å; N345-I385 WeakPolarHBondContact CA-O 3.41Å; N345-I385 WeakPolarHBondContact CB-O 3.21Å; F346-I385 HydrophobicContact CD1-CB 4.06Å; F346-I385 HydrophobicContact CD1-CG2 4.23Å; F346-I385 HydrophobicContact CE1-CB 3.67Å; F346-I385 HydrophobicContact CE1-CG1 4.31Å; F346-I385 HydrophobicContact CE1-CG2 3.52Å; F346-I385 HydrophobicContact CE2-CB 4.32Å; F346-I385 HydrophobicContact CE2-CG1 4.2Å; F346-I385 HydrophobicContact CZ-CB 3.82Å; F346-I385 HydrophobicContact CZ-CG1 3.93Å; F346-I385 HydrophobicContact CZ-CG2 3.89Å; F346-I385 PolarHBondContact N-O 2.97Å; F346-I385 VanDerWaalsContact N-O 3.11Å; F346-I385 PolarHBondContact O-N 3Å; I364-I385 HydrophobicContact CD1-CD1 4.08Å; I364-I385 HydrophobicContact CD1-CG1 4.05Å; I364-I385 HydrophobicContact CG2-CD1 4.29Å; I364-I385 HydrophobicContact CG2-CG1 4.44Å; I372-I385 HydrophobicContact CB-CD1 4.47Å; I372-I385 HydrophobicContact CD1-CG2 4.28Å; I372-I385 HydrophobicContact CG2-CD1 3.89Å; V383-I385 HydrophobicContact CG1-CD1 3.72Å; V383-I385 HydrophobicContact CG1-CG1 4.27Å; I385-V387 HydrophobicContact CG2-CG2 4.2Å; I385-Y396 HydrophobicContact CG2-CD1 4.34Å; I385-Y396 HydrophobicContact CG2-CE1 3.88Å |
| 386 | S | 89.9 | Confident | 87.6 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | trans | -80.9 | 126.9 | 168.6 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | N345 P388 | N345-S386 PolarHBondContact ND2-OG 3.17Å; S386-P388 WeakPolarHBondContact O-CD 3.19Å | ||
| 387 | V | 88.6 | Confident | 88 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | trans | -106 | 108.4 | -172.6 | 173.4 | 0 | 0 | 0 | 0 | 110 | P342 T344 N345 F346 I385 R392 Y396 | P342-V387 HydrophobicContact CB-CG1 4.4Å; P342-V387 HydrophobicContact CB-CG2 3.91Å; P342-V387 HydrophobicContact CG-CG1 4.16Å; P342-V387 HydrophobicContact CG-CG2 3.83Å; T344-V387 WeakPolarHBondContact O-CG2 3.46Å; N345-V387 PolarHBondContact OD1-N 3.1Å; F346-V387 HydrophobicContact CD1-CG2 3.65Å; F346-V387 HydrophobicContact CE1-CG2 3.7Å; I385-V387 HydrophobicContact CG2-CG2 4.2Å; V387-R392 HydrophobicContact CG1-CG 3.93Å; V387-Y396 HydrophobicContact CG1-CE2 4.35Å; V387-Y396 HydrophobicContact CG2-CE1 4.42Å | ||
| 388 | P | 88.3 | Confident | 88.2 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | trans | -59 | 148.6 | 177.9 | -23.2 | 33.7 | 0 | 0 | 0 | 112.2 | S386 Y390 F391 | S386-P388 WeakPolarHBondContact O-CD 3.19Å; P388-Y390 HydrophobicContact CB-CD1 3.73Å; P388-Y390 HydrophobicContact CB-CE1 3.26Å; P388-Y390 HydrophobicContact CB-CE2 4.24Å; P388-Y390 HydrophobicContact CB-CG 4.37Å; P388-Y390 HydrophobicContact CG-CE1 4.17Å; P388-Y390 PolarHBondContact O-N 2.8Å; P388-F391 HydrophobicContact CG-CD2 4.07Å; P388-F391 PolarHBondContact O-N 2.85Å | ||
| 389 | K | 85 | Confident | 88.5 | Confident | 146 Ų | 146 | 53.3 Ų | 53.3 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.5 | -175.9 | -69.3 | -177.8 | -179.9 | 178.2 | 0 | 113.7 | ||
| 390 | Y | 86.9 | Confident | 88.7 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 45% | 0.451 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -18.1 | -179.2 | 57.8 | -90.4 | 0 | 0 | 0 | 114.6 | P388 M394 | P388-Y390 HydrophobicContact CB-CD1 3.73Å; P388-Y390 HydrophobicContact CB-CE1 3.26Å; P388-Y390 HydrophobicContact CB-CE2 4.24Å; P388-Y390 HydrophobicContact CB-CG 4.37Å; P388-Y390 HydrophobicContact CG-CE1 4.17Å; P388-Y390 PolarHBondContact O-N 2.8Å; Y390-M394 VanDerWaalsContact O-CE 3.29Å; Y390-M394 WeakPolarHBondContact O-CE 3.28Å |
| 391 | F | 86.4 | Confident | 88.8 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -97.7 | 3.9 | 176.3 | -73.4 | -27.1 | 0 | 0 | 0 | 113.8 | D366 P367 E368 P388 M394 Y396 | D366-F391 HydrophobicContact CB-CD2 4.38Å; D366-F391 HydrophobicContact CB-CE2 3.87Å; D366-F391 HydrophobicContact CB-CZ 4.35Å; P367-F391 HydrophobicContact CB-CD1 4.2Å; P367-F391 HydrophobicContact CB-CE1 4.34Å; P367-F391 HydrophobicContact CG-CB 4.11Å; P367-F391 HydrophobicContact CG-CD1 3.83Å; P367-F391 HydrophobicContact CG-CE1 4.33Å; P367-F391 HydrophobicContact CG-CG 3.96Å; E368-F391 HydrophobicContact CB-CZ 4.35Å; E368-F391 HydrophobicContact CG-CE1 3.83Å; E368-F391 HydrophobicContact CG-CZ 3.84Å; E368-F391 WeakPolarHBondContact OE1-CE1 3.35Å; E368-F391 WeakPolarHBondContact OE1-CZ 3.28Å; P388-F391 HydrophobicContact CG-CD2 4.07Å; P388-F391 PolarHBondContact O-N 2.85Å; F391-M394 HydrophobicContact CD1-SD 4.05Å; F391-M394 WeakPolarHBondContact O-CB 3.44Å; F391-M394 PolarHBondContact O-N 3.34Å; F391-Y396 HydrophobicContact CB-CE2 4.01Å; F391-Y396 VanDerWaalsContact CB-OH 3.32Å; F391-Y396 WeakPolarHBondContact CB-OH 3.4Å |
| 392 | R | 85.1 | Confident | 88.8 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 143.2 | 175.7 | -65.5 | 178.2 | 177 | -163.4 | -6 | 110.5 | P342 I343 V387 M394 | P342-R392 WeakPolarHBondContact O-CA 3.28Å; I343-R392 VanDerWaalsContact O-CD 3.25Å; I343-R392 WeakPolarHBondContact O-CD 3.46Å; I343-R392 WeakPolarHBondContact O-CG 3.5Å; I343-R392 PolarHBondContact O-NE 3.22Å; V387-R392 HydrophobicContact CG1-CG 3.93Å; R392-M394 PolarHBondContact O-N 3.47Å; R392-M394 VanDerWaalsContact O-N 3.11Å |
| 393 | L | 84 | Confident | 88.2 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 2.4 | -175.3 | -61.5 | 162.8 | 0 | 0 | 0 | 115.3 | E314 P342 I343 | E314-L393 HydrophobicContact CG-CD2 4.39Å; E314-L393 WeakPolarHBondContact OE1-CD2 3.36Å; P342-L393 PolarHBondContact O-N 3.41Å; I343-L393 HydrophobicContact CD1-CD2 4.21Å; I343-L393 HydrophobicContact CG1-CD2 3.7Å; I343-L393 HydrophobicContact CG1-CG 4.36Å |
| 394 | M | 86.2 | Confident | 87 | Confident | 84 Ų | 84 | 55 Ų | 55 | 41% | 0.414 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -91.1 | 150.4 | 174.4 | -61.3 | -168.8 | -179.3 | 0 | 0 | 111.2 | P367 Y390 F391 R392 Y396 | P367-M394 HydrophobicContact CB-CB 3.72Å; P367-M394 HydrophobicContact CB-SD 4.07Å; P367-M394 HydrophobicContact CG-CB 3.44Å; P367-M394 VanDerWaalsContact CG-CB 3.44Å; P367-M394 HydrophobicContact CG-CG 4.48Å; P367-M394 HydrophobicContact CG-SD 4.35Å; Y390-M394 VanDerWaalsContact O-CE 3.29Å; Y390-M394 WeakPolarHBondContact O-CE 3.28Å; F391-M394 HydrophobicContact CD1-SD 4.05Å; F391-M394 WeakPolarHBondContact O-CB 3.44Å; F391-M394 PolarHBondContact O-N 3.34Å; R392-M394 PolarHBondContact O-N 3.47Å; R392-M394 VanDerWaalsContact O-N 3.11Å; M394-Y396 PolarHBondContact O-N 3.43Å |
| 395 | P | 90 | Very high | 84.8 | Confident | 62 Ų | 62 | 53 Ų | 53 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | trans | -79.1 | 112.7 | -174.7 | 31.2 | -34.1 | 0 | 0 | 0 | 112.5 | F339 Y340 K341 | F339-P395 HydrophobicContact CB-CB 4.48Å; F339-P395 HydrophobicContact CD1-CB 4.25Å; Y340-P395 CarbonylContact O-C 3.52Å; Y340-P395 WeakPolarHBondContact O-CA 3.44Å; K341-P395 HydrophobicContact CG-CB 4.31Å | ||
| 396 | Y | 92.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 144.7 | 165 | -75.2 | -121.4 | 0 | 0 | 0 | 109 | F339 Y340 P342 F346 R365 P367 I372 I385 V387 F391 M394 | F339-Y396 WeakPolarHBondContact CA-O 3.38Å; Y340-Y396 PolarHBondContact N-O 2.8Å; Y340-Y396 PolarHBondContact O-N 2.66Å; P342-Y396 HydrophobicContact CG-CD2 3.49Å; P342-Y396 VanDerWaalsContact CG-CD2 3.49Å; P342-Y396 HydrophobicContact CG-CE2 3.57Å; P342-Y396 HydrophobicContact CG-CG 4.19Å; F346-Y396 HydrophobicContact CE1-CD1 4Å; F346-Y396 HydrophobicContact CE1-CE1 4.22Å; F346-Y396 HydrophobicContact CE1-CG 4.29Å; F346-Y396 AromaticContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CD1 3.96Å; F346-Y396 HydrophobicContact CZ-CG 4.24Å; R365-Y396 WeakPolarHBondContact O-CA 3.46Å; P367-Y396 HydrophobicContact CG-CD2 3.97Å; P367-Y396 HydrophobicContact CG-CE2 3.82Å; I372-Y396 HydrophobicContact CD1-CD1 3.73Å; I372-Y396 HydrophobicContact CD1-CE1 3.4Å; I372-Y396 VanDerWaalsContact CD1-CE1 3.4Å; I385-Y396 HydrophobicContact CG2-CD1 4.34Å; I385-Y396 HydrophobicContact CG2-CE1 3.88Å; V387-Y396 HydrophobicContact CG1-CE2 4.35Å; V387-Y396 HydrophobicContact CG2-CE1 4.42Å; F391-Y396 HydrophobicContact CB-CE2 4.01Å; F391-Y396 VanDerWaalsContact CB-OH 3.32Å; F391-Y396 WeakPolarHBondContact CB-OH 3.4Å; M394-Y396 PolarHBondContact O-N 3.43Å |
| 397 | A | 91.3 | Very high | 80.1 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F339 I364 R365 | F339-A397 HydrophobicContact CD1-CB 4.02Å; F339-A397 HydrophobicContact CE1-CB 3.72Å; F339-A397 HydrophobicContact CZ-CB 4.39Å; I364-A397 WeakPolarHBondContact CA-O 3.38Å; R365-A397 HydrophobicContact CB-CB 4.35Å; R365-A397 PolarHBondContact N-O 2.74Å; R365-A397 PolarHBondContact O-N 2.89Å |
| 398 | I | 91.8 | Very high | 77.9 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108 | 176.8 | -55.6 | 170.3 | 0 | 0 | 0 | 107.5 | L310 C337 Y338 F346 V348 I362 I364 | L310-I398 HydrophobicContact CD1-CD1 4.4Å; C337-I398 WeakPolarHBondContact CA-O 3.47Å; Y338-I398 PolarHBondContact N-O 3.17Å; Y338-I398 PolarHBondContact O-N 3.02Å; F346-I398 HydrophobicContact CE2-CD1 4.06Å; V348-I398 HydrophobicContact CG1-CG2 4.14Å; V348-I398 HydrophobicContact CG2-CD1 3.91Å; I362-I398 HydrophobicContact CD1-CG2 4.12Å; I364-I398 HydrophobicContact CG1-CG1 4.46Å; I364-I398 HydrophobicContact CG1-CG2 4.33Å |
| 399 | C | 92.4 | Very high | 76 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.1 | -173.8 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | H336 C337 I362 F363 | H336-C399 CarbonylContact O-C 3.53Å; H336-C399 WeakPolarHBondContact O-CA 3.14Å; C337-C399 HydrophobicContact CB-CB 4.14Å; C337-C399 WeakPolarHBondContact CB-SG 3.48Å; C337-C399 WeakPolarHBondContact SG-CB 3.19Å; C337-C399 CovalentContact SG-SG 2.04Å; C337-C399 PolarHBondContact SG-SG 3.1Å; I362-C399 WeakPolarHBondContact CA-O 3.34Å; F363-C399 HydrophobicContact CD1-CB 3.98Å; F363-C399 HydrophobicContact CD2-CB 3.77Å; F363-C399 HydrophobicContact CE1-CB 3.6Å; F363-C399 HydrophobicContact CE2-CB 3.37Å; F363-C399 WeakPolarHBondContact CE2-SG 3.47Å; F363-C399 HydrophobicContact CG-CB 4.06Å; F363-C399 HydrophobicContact CZ-CB 3.27Å; F363-C399 PolarHBondContact N-O 2.85Å; F363-C399 WeakPolarHBondContact O-CB 3.41Å; F363-C399 PolarHBondContact O-N 3.16Å |
| 400 | L | 91.8 | Very high | 74.3 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.8 | 172.3 | -60.6 | 178 | 0 | 0 | 0 | 109.4 | V328 V330 K335 H336 Y338 I360 G361 I362 | V328-L400 HydrophobicContact CG2-CD1 3.78Å; V330-L400 HydrophobicContact CG2-CB 3.97Å; V330-L400 HydrophobicContact CG2-CD1 4.04Å; K335-L400 CarbonylContact C-O 3.48Å; K335-L400 WeakPolarHBondContact CA-O 3.31Å; K335-L400 WeakPolarHBondContact CB-O 3.35Å; H336-L400 PolarHBondContact N-O 3.47Å; H336-L400 PolarHBondContact O-N 2.62Å; Y338-L400 HydrophobicContact CE2-CD1 4.28Å; I360-L400 HydrophobicContact CD1-CB 3.9Å; I360-L400 HydrophobicContact CG1-CB 4.49Å; G361-L400 WeakPolarHBondContact O-CA 3.48Å; I362-L400 HydrophobicContact CB-CD2 4.36Å; I362-L400 HydrophobicContact CD1-CD2 4.07Å; I362-L400 HydrophobicContact CG1-CD2 4.15Å |
| 401 | D | 89.8 | Confident | 72.6 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 108.8 | -169.4 | -158.8 | -23.7 | 0 | 0 | 0 | 112 | K335 I360 G361 F363 R403 | K335-D401 HydrophobicContact CB-CB 4.35Å; I360-D401 WeakPolarHBondContact CG1-O 3.33Å; G361-D401 PolarHBondContact N-O 2.59Å; G361-D401 PolarHBondContact O-N 2.97Å; F363-D401 HydrophobicContact CD1-CB 4.38Å; F363-D401 HydrophobicContact CE1-CB 4.14Å; D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.44Å; D401-R403 IonicContact OD1-CZ 3.3Å; D401-R403 PolarHBondContact OD1-N 3.44Å; D401-R403 IonicContact OD1-NE 3.09Å; D401-R403 PolarHBondContact OD1-NE 3.34Å; D401-R403 IonicContact OD1-NH2 2.68Å; D401-R403 IonicContact OD2-CZ 2.69Å; D401-R403 VanDerWaalsContact OD2-CZ 3.3Å; D401-R403 IonicContact OD2-NE 3.95Å; D401-R403 PolarHBondContact OD2-NE 3.39Å; D401-R403 VanDerWaalsContact OD2-NE 3.09Å; D401-R403 IonicContact OD2-NH2 3.86Å; D401-R403 PolarHBondContact OD2-NH2 2.84Å |
| 402 | N | 87.2 | Confident | 71.2 | Confident | 39 Ų | 39 | 74 Ų | 74 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | trans | -107.8 | 28 | 176.8 | -164.3 | 4.3 | 0 | 0 | 0 | 111.6 | V330 P331 G333 V334 I360 K404 | V330-N402 HydrophobicContact CB-CB 4.31Å; V330-N402 HydrophobicContact CG1-CB 3.6Å; V330-N402 PolarHBondContact O-ND2 2.9Å; P331-N402 WeakPolarHBondContact O-CB 3.47Å; P331-N402 PolarHBondContact O-ND2 3.49Å; G333-N402 PolarHBondContact N-O 3.23Å; V334-N402 CarbonylContact O-C 3.56Å; V334-N402 WeakPolarHBondContact O-CA 3.37Å; V334-N402 PolarHBondContact O-N 3.12Å; I360-N402 HydrophobicContact CD1-CB 4.41Å; I360-N402 HydrophobicContact CG1-CB 4.5Å; N402-K404 PolarHBondContact O-N 3.49Å; N402-K404 VanDerWaalsContact O-N 3.12Å | ||
| 403 | R | 76.8 | Confident | 69.7 | Low | 116 Ų | 116 | 74.5 Ų | 74.5 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 15.3 | 172.7 | -63.5 | 179.9 | -64.1 | 154.7 | 5.1 | 114 | D401 A405 | D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.44Å; D401-R403 IonicContact OD1-CZ 3.3Å; D401-R403 PolarHBondContact OD1-N 3.44Å; D401-R403 IonicContact OD1-NE 3.09Å; D401-R403 PolarHBondContact OD1-NE 3.34Å; D401-R403 IonicContact OD1-NH2 2.68Å; D401-R403 IonicContact OD2-CZ 2.69Å; D401-R403 VanDerWaalsContact OD2-CZ 3.3Å; D401-R403 IonicContact OD2-NE 3.95Å; D401-R403 PolarHBondContact OD2-NE 3.39Å; D401-R403 VanDerWaalsContact OD2-NE 3.09Å; D401-R403 IonicContact OD2-NH2 3.86Å; D401-R403 PolarHBondContact OD2-NH2 2.84Å; R403-A405 VanDerWaalsContact C-N 3.3Å |
| 404 | K | 62.9 | Low | 68.6 | Low | 96 Ų | 96 | 72 Ų | 72 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.8 | 171.9 | -150.9 | 178.2 | -170.2 | 171.1 | 0 | 112.8 | D359 P377 N402 | D359-K404 WeakPolarHBondContact OD2-CD 3.39Å; D359-K404 WeakPolarHBondContact OD2-CE 3.31Å; D359-K404 IonicContact OD2-NZ 2.62Å; D359-K404 PolarHBondContact OD2-NZ 3.34Å; P377-K404 HydrophobicContact CB-CD 4Å; P377-K404 HydrophobicContact CG-CD 3.99Å; N402-K404 PolarHBondContact O-N 3.49Å; N402-K404 VanDerWaalsContact O-N 3.12Å |
| 405 | A | 43.6 | Very low | 67.7 | Low | 37 Ų | 37 | 70.7 Ų | 70.7 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -84.7 | 118.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | P332 R403 | P332-A405 HydrophobicContact CB-CB 3.56Å; R403-A405 VanDerWaalsContact C-N 3.3Å |
| 406 | N | 40.7 | Very low | 66.7 | Low | 155 Ų | 155 | 73.1 Ų | 73.1 | 83% | 0.829 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 68.8 | 142.2 | -173.1 | -65.3 | -26 | 0 | 0 | 0 | 116.2 | ||
| 407 | A | 41.3 | Very low | 65.5 | Low | 95 Ų | 95 | 79.8 Ų | 79.8 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 68.1 | 62.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | L409 | A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.04Å |
| 408 | N | 42.1 | Very low | 64.1 | Low | 166 Ų | 166 | 82.9 Ų | 82.9 | 89% | 0.888 | 44% | 0.441 | S | S | * | . | trans | 55.9 | 22.8 | 135.3 | -156.2 | 45.8 | 0 | 0 | 0 | 119.4 | N410 | N408-N410 PolarHBondContact O-N 2.9Å; N408-N410 VanDerWaalsContact O-N 3.1Å | ||
| 409 | L | 49.5 | Very low | 62.9 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | trans | -76.7 | 97.6 | 173.7 | -158.8 | 78.2 | 0 | 0 | 0 | 109.9 | A407 W411 | A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.04Å; L409-W411 HydrophobicContact CD2-CH2 4.4Å; L409-W411 HydrophobicContact CD2-CZ2 3.81Å; L409-W411 VanDerWaalsContact O-CD1 3.28Å; L409-W411 PolarHBondContact O-N 3.45Å; L409-W411 VanDerWaalsContact O-N 3.1Å | ||
| 410 | N | 48.9 | Very low | 61.8 | Low | 85 Ų | 85 | 94 Ų | 94 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | trans | -77.6 | 94.5 | -180 | -173.9 | 9.8 | 0 | 0 | 0 | 111.1 | N408 D412 N413 | N408-N410 PolarHBondContact O-N 2.9Å; N408-N410 VanDerWaalsContact O-N 3.1Å; N410-D412 PolarHBondContact O-N 3.24Å; N410-D412 WeakPolarHBondContact OD1-CB 3.45Å; N410-D412 PolarHBondContact OD1-N 2.89Å; N410-D412 VanDerWaalsContact OD1-N 3.1Å; N410-N413 WeakPolarHBondContact ND2-CB 3.36Å; N410-N413 CarbonylContact O-C 3.56Å; N410-N413 PolarHBondContact O-N 3.5Å | ||
| 411 | W | 50 | Low | 60.5 | Low | 98 Ų | 98 | 95.2 Ų | 95.2 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.6 | 176.2 | -67.8 | 90.3 | 0 | 0 | 0 | 113.8 | P376 P377 L409 N413 | P376-W411 HydrophobicContact CB-CE3 4.11Å; P377-W411 HydrophobicContact CG-CD2 4.21Å; P377-W411 HydrophobicContact CG-CH2 4.48Å; P377-W411 HydrophobicContact CG-CZ2 3.84Å; L409-W411 HydrophobicContact CD2-CH2 4.4Å; L409-W411 HydrophobicContact CD2-CZ2 3.81Å; L409-W411 VanDerWaalsContact O-CD1 3.28Å; L409-W411 PolarHBondContact O-N 3.45Å; L409-W411 VanDerWaalsContact O-N 3.1Å; W411-N413 VanDerWaalsContact C-N 3.31Å |
| 412 | D | 57.5 | Low | 59.3 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 83% | 0.829 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.6 | 176.8 | -53.6 | -47 | 0 | 0 | 0 | 112.7 | N410 | N410-D412 PolarHBondContact O-N 3.24Å; N410-D412 WeakPolarHBondContact OD1-CB 3.45Å; N410-D412 PolarHBondContact OD1-N 2.89Å; N410-D412 VanDerWaalsContact OD1-N 3.1Å |
| 413 | N | 54.9 | Low | 58.4 | Low | 118 Ų | 118 | 101.2 Ų | 101.2 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -144.8 | 72.6 | 175.4 | -169.1 | 101.8 | 0 | 0 | 0 | 110.9 | N410 W411 | N410-N413 WeakPolarHBondContact ND2-CB 3.36Å; N410-N413 CarbonylContact O-C 3.56Å; N410-N413 PolarHBondContact O-N 3.5Å; W411-N413 VanDerWaalsContact C-N 3.31Å |
| 414 | P | 60.9 | Low | 57.9 | Low | 43 Ų | 43 | 100.4 Ų | 100.4 | 28% | 0.279 | 54% | 0.535 | S | S | . | . | trans | -58.6 | 152 | 172.5 | 24.2 | -34.4 | 0 | 0 | 0 | 112 | E418 R419 | P414-E418 HydrophobicContact CB-CB 4.1Å; P414-R419 HydrophobicContact CB-CG 4.19Å; P414-R419 HydrophobicContact CG-CG 3.75Å | ||
| 415 | S | 66.1 | Low | 57.7 | Low | 57 Ų | 57 | 99.1 Ų | 99.1 | 40% | 0.399 | 53% | 0.533 | S | S | . | . | trans | -66.8 | 159 | 176.9 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | L417 E418 R419 | S415-L417 PolarHBondContact O-N 3.45Å; S415-E418 WeakPolarHBondContact CB-OE2 3.2Å; S415-E418 PolarHBondContact N-OE2 3.04Å; S415-E418 PolarHBondContact O-N 2.95Å; S415-E418 VanDerWaalsContact OG-CD 3.31Å; S415-E418 WeakPolarHBondContact OG-CG 3.4Å; S415-E418 PolarHBondContact OG-OE2 2.94Å; S415-R419 WeakPolarHBondContact O-CG 3.37Å; S415-R419 PolarHBondContact O-N 3.37Å | ||
| 416 | E | 69.2 | Low | 58.3 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.4 | -34 | -178.2 | -175.4 | 55.7 | -152.6 | 0 | 0 | 112.7 | Q420 | E416-Q420 VanDerWaalsContact O-CG 3.28Å; E416-Q420 WeakPolarHBondContact O-CG 3.13Å; E416-Q420 PolarHBondContact O-N 3.04Å; E416-Q420 PolarHBondContact OE1-NE2 3.31Å |
| 417 | L | 67.5 | Low | 59.2 | Low | 140 Ų | 140 | 104 Ų | 104 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 175.7 | -159.3 | 87.7 | 0 | 0 | 0 | 112.1 | S415 Q420 A421 | S415-L417 PolarHBondContact O-N 3.45Å; L417-Q420 PolarHBondContact O-N 2.86Å; L417-A421 PolarHBondContact O-N 2.9Å |
| 418 | E | 61.6 | Low | 59.7 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 36% | 0.36 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 178.1 | -67.8 | 163.3 | 124.9 | 0 | 0 | 111.3 | P414 S415 Q420 A421 I422 | P414-E418 HydrophobicContact CB-CB 4.1Å; S415-E418 WeakPolarHBondContact CB-OE2 3.2Å; S415-E418 PolarHBondContact N-OE2 3.04Å; S415-E418 PolarHBondContact O-N 2.95Å; S415-E418 VanDerWaalsContact OG-CD 3.31Å; S415-E418 WeakPolarHBondContact OG-CG 3.4Å; S415-E418 PolarHBondContact OG-OE2 2.94Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 3.4Å; E418-A421 PolarHBondContact O-N 3.05Å; E418-I422 WeakPolarHBondContact O-CD1 3.48Å; E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.5Å; E418-I422 PolarHBondContact O-N 2.92Å |
| 419 | R | 66.3 | Low | 60 | Low | 148 Ų | 148 | 100 Ų | 100 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 172.5 | -70.3 | -173.7 | 70.8 | -171.3 | 1.3 | 111.5 | P414 S415 I422 E423 | P414-R419 HydrophobicContact CB-CG 4.19Å; P414-R419 HydrophobicContact CG-CG 3.75Å; S415-R419 WeakPolarHBondContact O-CG 3.37Å; S415-R419 PolarHBondContact O-N 3.37Å; R419-I422 PolarHBondContact O-N 2.69Å; R419-E423 VanDerWaalsContact O-CB 3.31Å; R419-E423 WeakPolarHBondContact O-CB 3.4Å; R419-E423 PolarHBondContact O-N 3.24Å |
| 420 | Q | 69 | Low | 60 | Low | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 177.5 | -72.3 | 174.4 | 19.2 | 0 | 0 | 111.7 | E416 L417 E418 E423 T424 | E416-Q420 VanDerWaalsContact O-CG 3.28Å; E416-Q420 WeakPolarHBondContact O-CG 3.13Å; E416-Q420 PolarHBondContact O-N 3.04Å; E416-Q420 PolarHBondContact OE1-NE2 3.31Å; L417-Q420 PolarHBondContact O-N 2.86Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 3.4Å; Q420-E423 PolarHBondContact O-N 2.68Å; Q420-T424 WeakPolarHBondContact O-CG2 3.38Å; Q420-T424 PolarHBondContact O-N 3.09Å; Q420-T424 PolarHBondContact O-OG1 2.88Å; Q420-T424 VanDerWaalsContact O-OG1 3.09Å |
| 421 | A | 65 | Low | 60 | Low | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L417 E418 E423 T424 L425 | L417-A421 PolarHBondContact O-N 2.9Å; E418-A421 PolarHBondContact O-N 3.05Å; A421-E423 VanDerWaalsContact C-N 3.34Å; A421-T424 PolarHBondContact O-OG1 3.48Å; A421-T424 VanDerWaalsContact O-OG1 3.13Å; A421-L425 WeakPolarHBondContact O-CD1 3.32Å; A421-L425 WeakPolarHBondContact O-CG 3.4Å; A421-L425 PolarHBondContact O-N 3.07Å |
| 422 | I | 64.6 | Low | 59.8 | Low | 90 Ų | 90 | 103.6 Ų | 103.6 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 176 | -68.7 | 163.6 | 0 | 0 | 0 | 110.8 | E418 R419 R426 | E418-I422 WeakPolarHBondContact O-CD1 3.48Å; E418-I422 VanDerWaalsContact O-CG1 3.28Å; E418-I422 WeakPolarHBondContact O-CG1 3.5Å; E418-I422 PolarHBondContact O-N 2.92Å; R419-I422 PolarHBondContact O-N 2.69Å; I422-R426 WeakPolarHBondContact O-CB 3.47Å; I422-R426 PolarHBondContact O-N 2.99Å |
| 423 | E | 68.2 | Low | 59.2 | Low | 90 Ų | 90 | 100 Ų | 100 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -80.1 | -29.2 | -175.7 | -163 | 59.1 | -157.5 | 0 | 0 | 113.1 | R419 Q420 A421 R426 N427 | R419-E423 VanDerWaalsContact O-CB 3.31Å; R419-E423 WeakPolarHBondContact O-CB 3.4Å; R419-E423 PolarHBondContact O-N 3.24Å; Q420-E423 PolarHBondContact O-N 2.68Å; A421-E423 VanDerWaalsContact C-N 3.34Å; E423-R426 PolarHBondContact O-N 3Å; E423-R426 WeakPolarHBondContact OE2-CD 3.48Å; E423-N427 VanDerWaalsContact CD-ND2 3.32Å; E423-N427 WeakPolarHBondContact CG-ND2 3.46Å; E423-N427 WeakPolarHBondContact O-CB 2.88Å; E423-N427 PolarHBondContact O-N 3.33Å; E423-N427 VanDerWaalsContact O-N 3.12Å; E423-N427 PolarHBondContact O-ND2 2.84Å; E423-N427 PolarHBondContact OE1-ND2 2.76Å |
| 424 | T | 65.8 | Low | 58.7 | Low | 99 Ų | 99 | 100 Ų | 100 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.2 | -38.1 | 169.7 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | Q420 A421 N428 | Q420-T424 WeakPolarHBondContact O-CG2 3.38Å; Q420-T424 PolarHBondContact O-N 3.09Å; Q420-T424 PolarHBondContact O-OG1 2.88Å; Q420-T424 VanDerWaalsContact O-OG1 3.09Å; A421-T424 PolarHBondContact O-OG1 3.48Å; A421-T424 VanDerWaalsContact O-OG1 3.13Å; T424-N428 PolarHBondContact O-N 3.12Å |
| 425 | L | 58.4 | Low | 58 | Low | 70 Ų | 70 | 102.2 Ų | 102.2 | 37% | 0.366 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 171.1 | -74.4 | 165.5 | 0 | 0 | 0 | 111.5 | P371 I374 A421 N427 | P371-L425 HydrophobicContact CG-CD1 3.88Å; P371-L425 HydrophobicContact CG-CD2 4.23Å; I374-L425 HydrophobicContact CD1-CD1 4.23Å; A421-L425 WeakPolarHBondContact O-CD1 3.32Å; A421-L425 WeakPolarHBondContact O-CG 3.4Å; A421-L425 PolarHBondContact O-N 3.07Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.49Å |
| 426 | R | 57.2 | Low | 57 | Low | 191 Ų | 191 | 108.6 Ų | 108.6 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.6 | -39 | 178.8 | -171.5 | -176.3 | -168.8 | 114.6 | 7.4 | 113.3 | I422 E423 | I422-R426 WeakPolarHBondContact O-CB 3.47Å; I422-R426 PolarHBondContact O-N 2.99Å; E423-R426 PolarHBondContact O-N 3Å; E423-R426 WeakPolarHBondContact OE2-CD 3.48Å |
| 427 | N | 59.9 | Low | 55.8 | Low | 103 Ų | 103 | 108.1 Ų | 108.1 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 8.2 | -171.7 | -67.8 | -55.9 | 0 | 0 | 0 | 114.4 | E423 L425 P429 | E423-N427 VanDerWaalsContact CD-ND2 3.32Å; E423-N427 WeakPolarHBondContact CG-ND2 3.46Å; E423-N427 WeakPolarHBondContact O-CB 2.88Å; E423-N427 PolarHBondContact O-N 3.33Å; E423-N427 VanDerWaalsContact O-N 3.12Å; E423-N427 PolarHBondContact O-ND2 2.84Å; E423-N427 PolarHBondContact OE1-ND2 2.76Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.49Å; N427-P429 VanDerWaalsContact O-CD 3.27Å; N427-P429 WeakPolarHBondContact O-CD 3.18Å |
| 428 | N | 50 | Low | 54.4 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | trans | -76.6 | 111.1 | 174.9 | -170.8 | -14.7 | 0 | 0 | 0 | 110.5 | T424 L430 | T424-N428 PolarHBondContact O-N 3.12Å; N428-L430 PolarHBondContact O-N 3.5Å; N428-L430 VanDerWaalsContact O-N 3.11Å; N428-L430 WeakPolarHBondContact OD1-CB 3.22Å; N428-L430 PolarHBondContact OD1-N 2.84Å | ||
| 429 | P | 48.8 | Very low | 53.4 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -11 | -170.8 | 29.6 | -36.3 | 0 | 0 | 0 | 114.2 | N427 V431 N432 S433 | N427-P429 VanDerWaalsContact O-CD 3.27Å; N427-P429 WeakPolarHBondContact O-CD 3.18Å; P429-V431 PolarHBondContact O-N 3.41Å; P429-N432 PolarHBondContact O-N 3.01Å; P429-S433 PolarHBondContact O-N 3.3Å; P429-S433 PolarHBondContact O-OG 2.74Å |
| 430 | L | 49.7 | Very low | 52.5 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 49% | 0.492 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -57.8 | -34.6 | -175.6 | -153.6 | 74.5 | 0 | 0 | 0 | 113.1 | N428 N432 | N428-L430 PolarHBondContact O-N 3.5Å; N428-L430 VanDerWaalsContact O-N 3.11Å; N428-L430 WeakPolarHBondContact OD1-CB 3.22Å; N428-L430 PolarHBondContact OD1-N 2.84Å; L430-N432 VanDerWaalsContact C-N 3.3Å; L430-N432 PolarHBondContact O-N 2.83Å |
| 431 | V | 50.2 | Low | 51.6 | Low | 116 Ų | 116 | 107.8 Ų | 107.8 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.2 | -32.9 | -178 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | P429 | P429-V431 PolarHBondContact O-N 3.41Å |
| 432 | N | 44.6 | Very low | 50.7 | Low | 141 Ų | 141 | 113.7 Ų | 113.7 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -100 | -20.6 | -173.2 | -65.9 | -29.7 | 0 | 0 | 0 | 113.6 | P429 L430 | P429-N432 PolarHBondContact O-N 3.01Å; L430-N432 VanDerWaalsContact C-N 3.3Å; L430-N432 PolarHBondContact O-N 2.83Å |
| 433 | S | 46.2 | Very low | 50.1 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91 | -21.8 | -172.5 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | P429 A435 | P429-S433 PolarHBondContact O-N 3.3Å; P429-S433 PolarHBondContact O-OG 2.74Å; S433-A435 VanDerWaalsContact C-N 3.31Å; S433-A435 PolarHBondContact O-N 3.41Å |
| 434 | Q | 42.5 | Very low | 49.6 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 56% | 0.556 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 8.6 | -168.2 | -160.1 | 158 | -1.6 | 0 | 0 | 114.9 | ||
| 435 | A | 46.4 | Very low | 49.1 | Very low | 90 Ų | 90 | 115 Ų | 115 | 74% | 0.744 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -10.8 | -171 | 0 | 0 | 0 | 0 | 0 | 116.3 | S433 | S433-A435 VanDerWaalsContact C-N 3.31Å; S433-A435 PolarHBondContact O-N 3.41Å |
| 436 | Q | 45.1 | Very low | 49 | Very low | 191 Ų | 191 | 116.4 Ų | 116.4 | 89% | 0.893 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -114.7 | 2.8 | -161.8 | -71.8 | -175.1 | -21 | 0 | 0 | 117 | ||
| 437 | A | 44.6 | Very low | 49.2 | Very low | 102 Ų | 102 | 111 Ų | 111 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -122.2 | 26.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 438 | A | 39.1 | Very low | 49.1 | Very low | 69 Ų | 69 | 111.5 Ų | 111.5 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -141 | 18.8 | -157.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 439 | S | 40.1 | Very low | 49.6 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -165.2 | 104.2 | 168.3 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 440 | A | 46.3 | Very low | 50.4 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 81% | 0.81 | 64% | 0.644 | S | S | * | * | trans | -160.2 | 86.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 441 | E | 50.5 | Low | 51.2 | Low | 178 Ų | 178 | 111.2 Ų | 111.2 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -166.8 | -24.8 | 159.5 | -129.3 | -175.2 | 122.9 | 0 | 0 | 116.4 | ||
| 442 | H | 47.5 | Very low | 51.7 | Low | 174 Ų | 174 | 112.2 Ų | 112.2 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -132 | 24.9 | -168.8 | -82.8 | 33.7 | 0 | 0 | 0 | 114.3 | ||
| 443 | A | 51.7 | Low | 52.7 | Low | 36 Ų | 36 | 108.8 Ų | 108.8 | 30% | 0.298 | 62% | 0.619 | S | S | . | * | trans | -107.6 | -29 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N445 I446 D447 | A443-N445 PolarHBondContact O-N 2.96Å; A443-I446 PolarHBondContact O-N 3Å; A443-D447 VanDerWaalsContact C-CG 3.5Å; A443-D447 WeakPolarHBondContact CB-OD1 3.27Å; A443-D447 WeakPolarHBondContact CB-OD2 3.38Å; A443-D447 VanDerWaalsContact O-CG 3.24Å; A443-D447 PolarHBondContact O-N 3.09Å | ||
| 444 | E | 57.4 | Low | 53.9 | Low | 133 Ų | 133 | 110 Ų | 110 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -54.4 | -34.6 | -156.6 | -154.3 | -153.2 | 131.5 | 0 | 0 | 117.6 | D447 K448 | E444-D447 PolarHBondContact N-OD2 3.13Å; E444-K448 WeakPolarHBondContact O-CD 3.43Å; E444-K448 VanDerWaalsContact O-CE 3.27Å; E444-K448 WeakPolarHBondContact O-CE 3.42Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å |
| 445 | N | 55.1 | Low | 55.4 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -90 | -17.8 | 178.7 | -90.2 | -7.6 | 0 | 0 | 0 | 113.9 | A443 | A443-N445 PolarHBondContact O-N 2.96Å |
| 446 | I | 57 | Low | 56.4 | Low | 101 Ų | 101 | 109.8 Ų | 109.8 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -88.5 | -37.9 | 173.1 | -65.9 | 175.2 | 0 | 0 | 0 | 109.3 | A443 K448 L449 M450 | A443-I446 PolarHBondContact O-N 3Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 2.92Å; I446-L449 PolarHBondContact O-N 3.37Å; I446-M450 HydrophobicContact CG2-CE 3.58Å; I446-M450 HydrophobicContact CG2-CG 3.84Å; I446-M450 HydrophobicContact CG2-SD 3.64Å; I446-M450 PolarHBondContact O-N 3.24Å |
| 447 | D | 59.9 | Low | 58 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -52.8 | -42.7 | 176 | -68.5 | -26 | 0 | 0 | 0 | 112.9 | A443 E444 L449 M450 A451 | A443-D447 VanDerWaalsContact C-CG 3.5Å; A443-D447 WeakPolarHBondContact CB-OD1 3.27Å; A443-D447 WeakPolarHBondContact CB-OD2 3.38Å; A443-D447 VanDerWaalsContact O-CG 3.24Å; A443-D447 PolarHBondContact O-N 3.09Å; E444-D447 PolarHBondContact N-OD2 3.13Å; D447-L449 PolarHBondContact O-N 2.98Å; D447-M450 PolarHBondContact O-N 3.07Å; D447-A451 WeakPolarHBondContact O-CB 3.49Å; D447-A451 PolarHBondContact O-N 3.15Å |
| 448 | K | 58.2 | Low | 59.4 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -25.5 | -178.8 | -68.2 | 164.7 | -167.2 | 163.3 | 0 | 112.7 | E444 I446 Q452 | E444-K448 WeakPolarHBondContact O-CD 3.43Å; E444-K448 VanDerWaalsContact O-CE 3.27Å; E444-K448 WeakPolarHBondContact O-CE 3.42Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 IonicContact OE1-NZ 2.64Å; E444-K448 PolarHBondContact OE1-NZ 3.03Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 2.92Å; K448-Q452 WeakPolarHBondContact O-CG 3.49Å |
| 449 | L | 60.2 | Low | 60.8 | Low | 107 Ų | 107 | 107.2 Ų | 107.2 | 56% | 0.56 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -93.1 | -37.8 | 174.8 | -174.3 | 143.9 | 0 | 0 | 0 | 111.7 | I446 D447 Q452 L453 | I446-L449 PolarHBondContact O-N 3.37Å; D447-L449 PolarHBondContact O-N 2.98Å; L449-Q452 PolarHBondContact O-N 2.83Å; L449-L453 HydrophobicContact CD2-CD1 3.67Å; L449-L453 HydrophobicContact CD2-CG 4.43Å; L449-L453 WeakPolarHBondContact O-CG 3.08Å; L449-L453 PolarHBondContact O-N 3.21Å |
| 450 | M | 66 | Low | 62.2 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 52% | 0.522 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 174.5 | -76.4 | -172 | 171.5 | 0 | 0 | 111.9 | I446 D447 Q452 L453 D454 | I446-M450 HydrophobicContact CG2-CE 3.58Å; I446-M450 HydrophobicContact CG2-CG 3.84Å; I446-M450 HydrophobicContact CG2-SD 3.64Å; I446-M450 PolarHBondContact O-N 3.24Å; D447-M450 PolarHBondContact O-N 3.07Å; M450-Q452 VanDerWaalsContact C-N 3.29Å; M450-Q452 PolarHBondContact O-N 2.94Å; M450-L453 CarbonylContact O-C 3.49Å; M450-L453 WeakPolarHBondContact O-CA 3.26Å; M450-L453 WeakPolarHBondContact O-CB 3.38Å; M450-L453 PolarHBondContact O-N 2.85Å; M450-D454 PolarHBondContact O-N 3.23Å |
| 451 | A | 67 | Low | 63.3 | Low | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -34.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D447 I455 | D447-A451 WeakPolarHBondContact O-CB 3.49Å; D447-A451 PolarHBondContact O-N 3.15Å; A451-I455 WeakPolarHBondContact O-CD1 3.34Å; A451-I455 VanDerWaalsContact O-CG1 3.3Å; A451-I455 WeakPolarHBondContact O-CG1 3.43Å; A451-I455 PolarHBondContact O-N 3.32Å |
| 452 | Q | 60.7 | Low | 64.4 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | 172.2 | -72.4 | -178.5 | 3.5 | 0 | 0 | 111.5 | K448 L449 M450 L456 | K448-Q452 WeakPolarHBondContact O-CG 3.49Å; L449-Q452 PolarHBondContact O-N 2.83Å; M450-Q452 VanDerWaalsContact C-N 3.29Å; M450-Q452 PolarHBondContact O-N 2.94Å; Q452-L456 PolarHBondContact O-N 2.73Å |
| 453 | L | 66.2 | Low | 65.6 | Low | 69 Ų | 69 | 104 Ų | 104 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 174 | -75 | 176.1 | 0 | 0 | 0 | 112.6 | L449 M450 I455 L456 F457 | L449-L453 HydrophobicContact CD2-CD1 3.67Å; L449-L453 HydrophobicContact CD2-CG 4.43Å; L449-L453 WeakPolarHBondContact O-CG 3.08Å; L449-L453 PolarHBondContact O-N 3.21Å; M450-L453 CarbonylContact O-C 3.49Å; M450-L453 WeakPolarHBondContact O-CA 3.26Å; M450-L453 WeakPolarHBondContact O-CB 3.38Å; M450-L453 PolarHBondContact O-N 2.85Å; L453-I455 VanDerWaalsContact C-N 3.33Å; L453-I455 PolarHBondContact O-N 3.29Å; L453-L456 CarbonylContact O-C 3.47Å; L453-L456 WeakPolarHBondContact O-CA 3.47Å; L453-L456 WeakPolarHBondContact O-CB 3.38Å; L453-L456 PolarHBondContact O-N 3.27Å; L453-L456 VanDerWaalsContact O-N 3.07Å; L453-F457 HydrophobicContact CB-CD2 4.02Å; L453-F457 HydrophobicContact CB-CE2 3.84Å; L453-F457 HydrophobicContact CD1-CE2 4.48Å; L453-F457 HydrophobicContact CD2-CE2 4.29Å; L453-F457 HydrophobicContact CG-CE2 4.44Å; L453-F457 WeakPolarHBondContact O-CB 3.33Å; L453-F457 WeakPolarHBondContact O-CD2 3.07Å; L453-F457 WeakPolarHBondContact O-CG 3.46Å; L453-F457 PolarHBondContact O-N 3.22Å |
| 454 | D | 70 | Confident | 66.5 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -35.6 | 179.5 | -76 | -35.8 | 0 | 0 | 0 | 112.1 | M450 L456 G458 | M450-D454 PolarHBondContact O-N 3.23Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-G458 WeakPolarHBondContact O-CA 3.42Å; D454-G458 PolarHBondContact O-N 3.41Å |
| 455 | I | 74.5 | Confident | 67.2 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 172.2 | -66.7 | 165.6 | 0 | 0 | 0 | 110.8 | A451 L453 R459 | A451-I455 WeakPolarHBondContact O-CD1 3.34Å; A451-I455 VanDerWaalsContact O-CG1 3.3Å; A451-I455 WeakPolarHBondContact O-CG1 3.43Å; A451-I455 PolarHBondContact O-N 3.32Å; L453-I455 VanDerWaalsContact C-N 3.33Å; L453-I455 PolarHBondContact O-N 3.29Å; I455-R459 VanDerWaalsContact O-CG 3.24Å; I455-R459 WeakPolarHBondContact O-CG 3.33Å; I455-R459 PolarHBondContact O-N 3.05Å |
| 456 | L | 68.6 | Low | 68 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.5 | -49.4 | 175.2 | -90.2 | 155.7 | 0 | 0 | 0 | 112.1 | Q452 L453 D454 G458 R459 L460 | Q452-L456 PolarHBondContact O-N 2.73Å; L453-L456 CarbonylContact O-C 3.47Å; L453-L456 WeakPolarHBondContact O-CA 3.47Å; L453-L456 WeakPolarHBondContact O-CB 3.38Å; L453-L456 PolarHBondContact O-N 3.27Å; L453-L456 VanDerWaalsContact O-N 3.07Å; D454-L456 VanDerWaalsContact C-N 3.33Å; L456-G458 VanDerWaalsContact C-N 3.35Å; L456-G458 PolarHBondContact O-N 3.4Å; L456-R459 WeakPolarHBondContact O-CB 3.45Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-R459 VanDerWaalsContact O-N 3.16Å; L456-L460 WeakPolarHBondContact O-CG 3.49Å; L456-L460 PolarHBondContact O-N 2.89Å |
| 457 | F | 77.4 | Confident | 68.7 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.9 | -70.8 | -53.3 | 0 | 0 | 0 | 112 | L453 R459 L460 R461 | L453-F457 HydrophobicContact CB-CD2 4.02Å; L453-F457 HydrophobicContact CB-CE2 3.84Å; L453-F457 HydrophobicContact CD1-CE2 4.48Å; L453-F457 HydrophobicContact CD2-CE2 4.29Å; L453-F457 HydrophobicContact CG-CE2 4.44Å; L453-F457 WeakPolarHBondContact O-CB 3.33Å; L453-F457 WeakPolarHBondContact O-CD2 3.07Å; L453-F457 WeakPolarHBondContact O-CG 3.46Å; L453-F457 PolarHBondContact O-N 3.22Å; F457-R459 VanDerWaalsContact C-N 3.31Å; F457-R459 PolarHBondContact O-N 3.36Å; F457-L460 HydrophobicContact CD1-CD1 4.4Å; F457-L460 PolarHBondContact O-N 3.46Å; F457-R461 WeakPolarHBondContact O-CB 3.25Å; F457-R461 PolarHBondContact O-N 3.14Å |
| 458 | G | 74.2 | Confident | 69.2 | Low | 37 Ų | 37 | 104.5 Ų | 104.5 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D454 L456 R462 | D454-G458 WeakPolarHBondContact O-CA 3.42Å; D454-G458 PolarHBondContact O-N 3.41Å; L456-G458 VanDerWaalsContact C-N 3.35Å; L456-G458 PolarHBondContact O-N 3.4Å; G458-R462 WeakPolarHBondContact O-CB 3.21Å; G458-R462 PolarHBondContact O-N 3.35Å |
| 459 | R | 67.7 | Low | 69.9 | Low | 166 Ų | 166 | 103.4 Ų | 103.4 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -74.5 | -46.1 | 171.7 | -72.6 | 171.1 | -175.1 | -150.1 | 1.3 | 111.8 | I455 L456 F457 R462 I463 | I455-R459 VanDerWaalsContact O-CG 3.24Å; I455-R459 WeakPolarHBondContact O-CG 3.33Å; I455-R459 PolarHBondContact O-N 3.05Å; L456-R459 WeakPolarHBondContact O-CB 3.45Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-R459 VanDerWaalsContact O-N 3.16Å; F457-R459 VanDerWaalsContact C-N 3.31Å; F457-R459 PolarHBondContact O-N 3.36Å; R459-R462 PolarHBondContact O-N 3.27Å; R459-I463 WeakPolarHBondContact O-CG1 3.34Å; R459-I463 PolarHBondContact O-N 3.12Å |
| 460 | L | 70.5 | Confident | 70.7 | Confident | 84 Ų | 84 | 101.7 Ų | 101.7 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -51.3 | 177.9 | -72.5 | 167.3 | 0 | 0 | 0 | 111.4 | L456 F457 R462 I463 E464 | L456-L460 WeakPolarHBondContact O-CG 3.49Å; L456-L460 PolarHBondContact O-N 2.89Å; F457-L460 HydrophobicContact CD1-CD1 4.4Å; F457-L460 PolarHBondContact O-N 3.46Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 3.27Å; L460-I463 CarbonylContact O-C 3.49Å; L460-I463 WeakPolarHBondContact O-CA 3.46Å; L460-I463 WeakPolarHBondContact O-CB 3.23Å; L460-I463 PolarHBondContact O-N 2.79Å; L460-E464 WeakPolarHBondContact O-CG 3.4Å; L460-E464 PolarHBondContact O-N 3.4Å |
| 461 | R | 69.4 | Low | 71.4 | Confident | 137 Ų | 137 | 98.9 Ų | 98.9 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.2 | -41.5 | 176 | -172.7 | 175.9 | -61.3 | 155.5 | 6.3 | 111.8 | F457 E464 H465 | F457-R461 WeakPolarHBondContact O-CB 3.25Å; F457-R461 PolarHBondContact O-N 3.14Å; R461-E464 PolarHBondContact O-N 3.21Å; R461-H465 PolarHBondContact O-CD2 3.35Å; R461-H465 PolarHBondContact O-N 3Å |
| 462 | R | 73.2 | Confident | 71.8 | Confident | 176 Ų | 176 | 98.2 Ų | 98.2 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 174.5 | 179.8 | 174.9 | -72.4 | 152.8 | -1 | 112.5 | G458 R459 L460 M466 | G458-R462 WeakPolarHBondContact O-CB 3.21Å; G458-R462 PolarHBondContact O-N 3.35Å; R459-R462 PolarHBondContact O-N 3.27Å; L460-R462 VanDerWaalsContact C-N 3.27Å; L460-R462 PolarHBondContact O-N 3.27Å; R462-M466 WeakPolarHBondContact O-CG 3.49Å; R462-M466 PolarHBondContact O-N 2.88Å |
| 463 | I | 73.8 | Confident | 72.6 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 175.5 | -66.8 | 162.6 | 0 | 0 | 0 | 110.3 | R459 L460 M466 Q467 | R459-I463 WeakPolarHBondContact O-CG1 3.34Å; R459-I463 PolarHBondContact O-N 3.12Å; L460-I463 CarbonylContact O-C 3.49Å; L460-I463 WeakPolarHBondContact O-CA 3.46Å; L460-I463 WeakPolarHBondContact O-CB 3.23Å; L460-I463 PolarHBondContact O-N 2.79Å; I463-M466 PolarHBondContact O-N 2.97Å; I463-Q467 WeakPolarHBondContact O-CB 3.21Å; I463-Q467 PolarHBondContact O-N 2.84Å |
| 464 | E | 69.3 | Low | 73.2 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 179 | -70.3 | 169.4 | 160.1 | 0 | 0 | 112.5 | L460 R461 M466 Q467 Q468 | L460-E464 WeakPolarHBondContact O-CG 3.4Å; L460-E464 PolarHBondContact O-N 3.4Å; R461-E464 PolarHBondContact O-N 3.21Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.94Å; E464-Q467 PolarHBondContact O-N 2.04Å; E464-Q468 PolarHBondContact O-N 2.84Å |
| 465 | H | 73.3 | Confident | 73.7 | Confident | 62 Ų | 62 | 96.9 Ų | 96.9 | 29% | 0.287 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 172 | -78.8 | -77.7 | 0 | 0 | 0 | 111.5 | E349 R461 Q467 Q468 R469 | E349-H465 IonicContact OE2-CE1 3.53Å; E349-H465 IonicContact OE2-ND1 2.87Å; E349-H465 PolarHBondContact OE2-ND1 3.45Å; R461-H465 PolarHBondContact O-CD2 3.35Å; R461-H465 PolarHBondContact O-N 3Å; H465-Q467 VanDerWaalsContact C-N 3.35Å; H465-Q467 PolarHBondContact O-N 3.36Å; H465-Q468 PolarHBondContact O-N 3.43Å; H465-R469 WeakPolarHBondContact O-CB 3.39Å; H465-R469 PolarHBondContact O-N 3.3Å |
| 466 | M | 70.8 | Confident | 73.9 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.1 | -69.5 | -67.6 | -179.6 | 0 | 0 | 112 | R462 I463 E464 R469 S470 | R462-M466 WeakPolarHBondContact O-CG 3.49Å; R462-M466 PolarHBondContact O-N 2.88Å; I463-M466 PolarHBondContact O-N 2.97Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.94Å; M466-R469 PolarHBondContact O-N 2.86Å; M466-S470 PolarHBondContact O-N 3.18Å |
| 467 | Q | 71.4 | Confident | 74.6 | Confident | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.612 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.2 | -45.6 | 178 | -172.7 | 170.2 | -14.4 | 0 | 0 | 111.5 | I463 E464 H465 S470 S471 | I463-Q467 WeakPolarHBondContact O-CB 3.21Å; I463-Q467 PolarHBondContact O-N 2.84Å; E464-Q467 PolarHBondContact O-N 2.04Å; H465-Q467 VanDerWaalsContact C-N 3.35Å; H465-Q467 PolarHBondContact O-N 3.36Å; Q467-S470 PolarHBondContact O-N 3.01Å; Q467-S470 PolarHBondContact O-OG 2.69Å; Q467-S471 PolarHBondContact O-N 3Å |
| 468 | Q | 70.1 | Confident | 75 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 174.8 | -173.2 | 58.7 | 38.7 | 0 | 0 | 112.2 | E464 H465 S470 S471 N472 | E464-Q468 PolarHBondContact O-N 2.84Å; H465-Q468 PolarHBondContact O-N 3.43Å; Q468-S470 VanDerWaalsContact C-N 3.28Å; Q468-S470 PolarHBondContact O-N 3.28Å; Q468-S471 PolarHBondContact NE2-OG 3.39Å; Q468-S471 PolarHBondContact O-N 2.85Å; Q468-S471 PolarHBondContact O-OG 3.1Å; Q468-N472 PolarHBondContact NE2-OD1 2.87Å; Q468-N472 VanDerWaalsContact O-CG 3.3Å; Q468-N472 PolarHBondContact O-N 3.11Å; Q468-N472 PolarHBondContact O-OD1 3.48Å |
| 469 | R | 74.2 | Confident | 75.3 | Confident | 89 Ų | 89 | 92 Ų | 92 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.5 | -168.9 | 171.3 | -171.3 | 150.2 | 13.1 | 111.6 | D380 H465 M466 F473 | D380-R469 IonicContact OD2-NH2 2.9Å; D380-R469 PolarHBondContact OD2-NH2 3.47Å; H465-R469 WeakPolarHBondContact O-CB 3.39Å; H465-R469 PolarHBondContact O-N 3.3Å; M466-R469 PolarHBondContact O-N 2.86Å; R469-F473 HydrophobicContact CG-CD2 3.86Å; R469-F473 HydrophobicContact CG-CE2 3.58Å; R469-F473 HydrophobicContact CG-CZ 4.42Å; R469-F473 WeakPolarHBondContact O-CD2 3.42Å; R469-F473 PolarHBondContact O-N 3.03Å |
| 470 | S | 76.5 | Confident | 75.9 | Confident | 71 Ų | 71 | 88.2 Ų | 88.2 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 113.5 | M466 Q467 Q468 F473 D474 | M466-S470 PolarHBondContact O-N 3.18Å; Q467-S470 PolarHBondContact O-N 3.01Å; Q467-S470 PolarHBondContact O-OG 2.69Å; Q468-S470 VanDerWaalsContact C-N 3.28Å; Q468-S470 PolarHBondContact O-N 3.28Å; S470-F473 PolarHBondContact O-N 3.4Å; S470-D474 PolarHBondContact O-N 3.45Å |
| 471 | S | 80.3 | Confident | 76.4 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.4 | -31.3 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 113 | Q467 Q468 S475 | Q467-S471 PolarHBondContact O-N 3Å; Q468-S471 PolarHBondContact NE2-OG 3.39Å; Q468-S471 PolarHBondContact O-N 2.85Å; Q468-S471 PolarHBondContact O-OG 3.1Å; S471-S475 WeakPolarHBondContact O-CB 3.12Å; S471-S475 PolarHBondContact O-N 3.32Å; S471-S475 VanDerWaalsContact O-N 3.12Å; S471-S475 PolarHBondContact O-OG 3.36Å |
| 472 | N | 74.9 | Confident | 77.1 | Confident | 38 Ų | 38 | 88.1 Ų | 88.1 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 168.6 | -66.4 | -0.6 | 0 | 0 | 0 | 111.6 | Q351 Q468 S475 A476 | Q351-N472 PolarHBondContact OE1-ND2 3.41Å; Q468-N472 PolarHBondContact NE2-OD1 2.87Å; Q468-N472 VanDerWaalsContact O-CG 3.3Å; Q468-N472 PolarHBondContact O-N 3.11Å; Q468-N472 PolarHBondContact O-OD1 3.48Å; N472-S475 WeakPolarHBondContact O-CB 3.3Å; N472-S475 PolarHBondContact O-N 2.84Å; N472-A476 WeakPolarHBondContact O-CB 3.4Å; N472-A476 PolarHBondContact O-N 3.32Å |
| 473 | F | 78.4 | Confident | 77.3 | Confident | 92 Ų | 92 | 85 Ų | 85 | 40% | 0.404 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 176.2 | -82.1 | -52 | 0 | 0 | 0 | 112.3 | R469 S470 S475 A476 D477 | R469-F473 HydrophobicContact CG-CD2 3.86Å; R469-F473 HydrophobicContact CG-CE2 3.58Å; R469-F473 HydrophobicContact CG-CZ 4.42Å; R469-F473 WeakPolarHBondContact O-CD2 3.42Å; R469-F473 PolarHBondContact O-N 3.03Å; S470-F473 PolarHBondContact O-N 3.4Å; F473-S475 PolarHBondContact O-N 2.99Å; F473-A476 PolarHBondContact O-N 3.38Å; F473-D477 WeakPolarHBondContact O-CB 3.32Å; F473-D477 PolarHBondContact O-N 2.85Å |
| 474 | D | 79.4 | Confident | 77.4 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.8 | -39.8 | 174.4 | -177.9 | 54.6 | 0 | 0 | 0 | 111.7 | S470 K478 | S470-D474 PolarHBondContact O-N 3.45Å; D474-K478 WeakPolarHBondContact O-CB 3.45Å; D474-K478 PolarHBondContact O-N 2.84Å |
| 475 | S | 80.5 | Confident | 77.9 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | S471 N472 F473 S479 | S471-S475 WeakPolarHBondContact O-CB 3.12Å; S471-S475 PolarHBondContact O-N 3.32Å; S471-S475 VanDerWaalsContact O-N 3.12Å; S471-S475 PolarHBondContact O-OG 3.36Å; N472-S475 WeakPolarHBondContact O-CB 3.3Å; N472-S475 PolarHBondContact O-N 2.84Å; F473-S475 PolarHBondContact O-N 2.99Å; S475-S479 PolarHBondContact O-N 3.22Å |
| 476 | A | 78.6 | Confident | 78.3 | Confident | 18 Ų | 18 | 88 Ų | 88 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -73.3 | -49.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N472 F473 K478 S479 L480 | N472-A476 WeakPolarHBondContact O-CB 3.4Å; N472-A476 PolarHBondContact O-N 3.32Å; F473-A476 PolarHBondContact O-N 3.38Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 3.3Å; A476-S479 WeakPolarHBondContact O-CB 3.29Å; A476-S479 PolarHBondContact O-N 2.97Å; A476-S479 PolarHBondContact O-OG 3.37Å; A476-L480 PolarHBondContact O-N 2.78Å |
| 477 | D | 82.6 | Confident | 78.7 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.2 | -75.8 | -12.5 | 0 | 0 | 0 | 111.3 | F473 S479 L480 M481 | F473-D477 WeakPolarHBondContact O-CB 3.32Å; F473-D477 PolarHBondContact O-N 2.85Å; D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 2.89Å; D477-L480 PolarHBondContact O-N 3.26Å; D477-M481 WeakPolarHBondContact O-CB 3.17Å; D477-M481 PolarHBondContact O-N 2.92Å |
| 478 | K | 85.1 | Confident | 79.1 | Confident | 114 Ų | 114 | 90.7 Ų | 90.7 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 171 | 176.2 | 172.6 | 174.2 | 175.5 | 0 | 112.2 | D474 A476 M481 E482 | D474-K478 WeakPolarHBondContact O-CB 3.45Å; D474-K478 PolarHBondContact O-N 2.84Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 3.3Å; K478-M481 PolarHBondContact O-N 3.39Å; K478-E482 WeakPolarHBondContact CE-OE1 3.48Å; K478-E482 HydrophobicContact CG-CG 4.45Å; K478-E482 IonicContact NZ-OE1 3.53Å; K478-E482 WeakPolarHBondContact O-CG 3.33Å; K478-E482 PolarHBondContact O-N 3.05Å |
| 479 | S | 81.9 | Confident | 79.8 | Confident | 13 Ų | 13 | 89.7 Ų | 89.7 | 9% | 0.091 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | -178.6 | 80.5 | 0 | 0 | 0 | 0 | 113.1 | S475 A476 D477 E482 E483 | S475-S479 PolarHBondContact O-N 3.22Å; A476-S479 WeakPolarHBondContact O-CB 3.29Å; A476-S479 PolarHBondContact O-N 2.97Å; A476-S479 PolarHBondContact O-OG 3.37Å; D477-S479 VanDerWaalsContact C-N 3.31Å; D477-S479 PolarHBondContact O-N 2.89Å; S479-E482 PolarHBondContact O-N 2.84Å; S479-E483 PolarHBondContact O-N 2.95Å |
| 480 | L | 80.2 | Confident | 80.2 | Confident | 87 Ų | 87 | 89.8 Ų | 89.8 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 172.5 | -67.2 | 171.6 | 0 | 0 | 0 | 111.8 | A476 D477 N484 | A476-L480 PolarHBondContact O-N 2.78Å; D477-L480 PolarHBondContact O-N 3.26Å; L480-N484 PolarHBondContact O-N 3.14Å; L480-N484 PolarHBondContact O-ND2 3.2Å |
| 481 | M | 80.4 | Confident | 80.6 | Confident | 123 Ų | 123 | 88.4 Ų | 88.4 | 61% | 0.606 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.5 | -43.3 | 173.7 | -174.2 | -179.3 | 62.8 | 0 | 0 | 111.7 | D477 K478 N484 L485 | D477-M481 WeakPolarHBondContact O-CB 3.17Å; D477-M481 PolarHBondContact O-N 2.92Å; K478-M481 PolarHBondContact O-N 3.39Å; M481-N484 PolarHBondContact O-N 3.38Å; M481-L485 WeakPolarHBondContact O-CB 3.33Å; M481-L485 PolarHBondContact O-N 3.43Å |
| 482 | E | 83.5 | Confident | 81 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 179.7 | -76.6 | 172 | 172.6 | 0 | 0 | 112.2 | K478 S479 N484 L485 E486 | K478-E482 WeakPolarHBondContact CE-OE1 3.48Å; K478-E482 HydrophobicContact CG-CG 4.45Å; K478-E482 IonicContact NZ-OE1 3.53Å; K478-E482 WeakPolarHBondContact O-CG 3.33Å; K478-E482 PolarHBondContact O-N 3.05Å; S479-E482 PolarHBondContact O-N 2.84Å; E482-N484 PolarHBondContact O-N 3.47Å; E482-L485 PolarHBondContact O-N 3.25Å; E482-E486 PolarHBondContact O-N 3Å |
| 483 | E | 78.5 | Confident | 81.6 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | -179.6 | -70.3 | 174.2 | -158.1 | 0 | 0 | 112.8 | K354 S479 | K354-E483 IonicContact NZ-OE1 3.91Å; K354-E483 PolarHBondContact NZ-OE1 2.92Å; S479-E483 PolarHBondContact O-N 2.95Å |
| 484 | N | 75.7 | Confident | 82 | Confident | 100 Ų | 100 | 95 Ų | 95 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 171.9 | -80 | -69.8 | 0 | 0 | 0 | 111.9 | L480 M481 E482 I488 | L480-N484 PolarHBondContact O-N 3.14Å; L480-N484 PolarHBondContact O-ND2 3.2Å; M481-N484 PolarHBondContact O-N 3.38Å; E482-N484 PolarHBondContact O-N 3.47Å; N484-I488 WeakPolarHBondContact O-CB 3.43Å; N484-I488 WeakPolarHBondContact O-CD1 3.42Å; N484-I488 VanDerWaalsContact O-CG1 3.31Å; N484-I488 WeakPolarHBondContact O-CG1 3.41Å; N484-I488 PolarHBondContact O-N 3.24Å |
| 485 | L | 79.8 | Confident | 82.4 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | -178.9 | -174.7 | 68.7 | 0 | 0 | 0 | 111.7 | M481 E482 R487 I488 T489 | M481-L485 WeakPolarHBondContact O-CB 3.33Å; M481-L485 PolarHBondContact O-N 3.43Å; E482-L485 PolarHBondContact O-N 3.25Å; L485-R487 PolarHBondContact O-N 3.5Å; L485-I488 PolarHBondContact O-N 3.15Å; L485-T489 HydrophobicContact CD1-CG2 3.64Å; L485-T489 HydrophobicContact CG-CG2 3.94Å; L485-T489 VanDerWaalsContact O-CB 3.28Å; L485-T489 WeakPolarHBondContact O-CB 3.36Å; L485-T489 VanDerWaalsContact O-CG2 3.26Å; L485-T489 WeakPolarHBondContact O-CG2 3.41Å; L485-T489 PolarHBondContact O-N 3.19Å; L485-T489 PolarHBondContact O-OG1 2.85Å |
| 486 | E | 80.8 | Confident | 82.9 | Confident | 141 Ų | 141 | 95.1 Ų | 95.1 | 66% | 0.659 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.1 | -46.3 | 179 | -174.2 | 177.3 | -177.1 | 0 | 0 | 111.7 | E482 T489 T490 | E482-E486 PolarHBondContact O-N 3Å; E486-T489 PolarHBondContact O-OG1 3.48Å; E486-T490 VanDerWaalsContact O-CB 3.3Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.36Å |
| 487 | R | 79.6 | Confident | 83.5 | Confident | 189 Ų | 189 | 98.3 Ų | 98.3 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 179.2 | -170.1 | 176 | 179.3 | -169.6 | -1.3 | 112.5 | L485 G491 | L485-R487 PolarHBondContact O-N 3.5Å; R487-G491 PolarHBondContact O-N 2.54Å |
| 488 | I | 80 | Confident | 83.9 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.9 | -40.5 | -178.9 | -69.2 | 163.9 | 0 | 0 | 0 | 111.8 | N484 L485 G491 S492 | N484-I488 WeakPolarHBondContact O-CB 3.43Å; N484-I488 WeakPolarHBondContact O-CD1 3.42Å; N484-I488 VanDerWaalsContact O-CG1 3.31Å; N484-I488 WeakPolarHBondContact O-CG1 3.41Å; N484-I488 PolarHBondContact O-N 3.24Å; L485-I488 PolarHBondContact O-N 3.15Å; I488-G491 PolarHBondContact O-N 2.89Å; I488-S492 PolarHBondContact O-N 3.22Å; I488-S492 PolarHBondContact O-OG 3.31Å |
| 489 | T | 84.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | L485 E486 G491 S492 L493 | L485-T489 HydrophobicContact CD1-CG2 3.64Å; L485-T489 HydrophobicContact CG-CG2 3.94Å; L485-T489 VanDerWaalsContact O-CB 3.28Å; L485-T489 WeakPolarHBondContact O-CB 3.36Å; L485-T489 VanDerWaalsContact O-CG2 3.26Å; L485-T489 WeakPolarHBondContact O-CG2 3.41Å; L485-T489 PolarHBondContact O-N 3.19Å; L485-T489 PolarHBondContact O-OG1 2.85Å; E486-T489 PolarHBondContact O-OG1 3.48Å; T489-G491 VanDerWaalsContact C-N 3.34Å; T489-G491 PolarHBondContact O-N 3.11Å; T489-S492 PolarHBondContact O-N 3.3Å; T489-S492 PolarHBondContact O-OG 3.31Å; T489-L493 WeakPolarHBondContact O-CB 3.43Å; T489-L493 PolarHBondContact O-N 3.11Å |
| 490 | T | 82.1 | Confident | 84.7 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -44.3 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E486 F494 | E486-T490 VanDerWaalsContact O-CB 3.3Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.36Å; T490-F494 PolarHBondContact O-N 2.87Å; T490-F494 VanDerWaalsContact O-N 3.16Å |
| 491 | G | 86.3 | Confident | 85.2 | Confident | 43 Ų | 43 | 98.7 Ų | 98.7 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R487 I488 T489 F494 Q495 | R487-G491 PolarHBondContact O-N 2.54Å; I488-G491 PolarHBondContact O-N 2.89Å; T489-G491 VanDerWaalsContact C-N 3.34Å; T489-G491 PolarHBondContact O-N 3.11Å; G491-F494 PolarHBondContact O-N 2.85Å; G491-Q495 PolarHBondContact O-N 3.35Å; G491-Q495 VanDerWaalsContact O-N 3.11Å |
| 492 | S | 87.5 | Confident | 85.8 | Confident | 53 Ų | 53 | 95.5 Ų | 95.5 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | -179.7 | 61 | 0 | 0 | 0 | 0 | 112.9 | I488 T489 Q495 V496 | I488-S492 PolarHBondContact O-N 3.22Å; I488-S492 PolarHBondContact O-OG 3.31Å; T489-S492 PolarHBondContact O-N 3.3Å; T489-S492 PolarHBondContact O-OG 3.31Å; S492-Q495 WeakPolarHBondContact O-CB 3.29Å; S492-Q495 PolarHBondContact O-N 2.81Å; S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 3.13Å |
| 493 | L | 87.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 172.9 | -178.8 | 62.2 | 0 | 0 | 0 | 111.4 | T489 Q495 V496 V497 | T489-L493 WeakPolarHBondContact O-CB 3.43Å; T489-L493 PolarHBondContact O-N 3.11Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; L493-Q495 PolarHBondContact O-N 2.85Å; L493-V496 PolarHBondContact O-N 3.07Å; L493-V497 WeakPolarHBondContact O-CG2 3.39Å; L493-V497 PolarHBondContact O-N 3.37Å |
| 494 | F | 88.7 | Confident | 86.7 | Confident | 149 Ų | 149 | 92.1 Ų | 92.1 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 174.1 | -177.9 | -97.3 | 0 | 0 | 0 | 111.9 | T490 G491 V497 L498 | T490-F494 PolarHBondContact O-N 2.87Å; T490-F494 VanDerWaalsContact O-N 3.16Å; G491-F494 PolarHBondContact O-N 2.85Å; F494-V497 PolarHBondContact O-N 3.43Å; F494-L498 WeakPolarHBondContact O-CB 3.09Å; F494-L498 PolarHBondContact O-N 3.35Å |
| 495 | Q | 87.9 | Confident | 87.3 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 175.4 | -171.6 | -176.9 | 9.1 | 0 | 0 | 112.4 | G491 S492 L493 L498 M499 | G491-Q495 PolarHBondContact O-N 3.35Å; G491-Q495 VanDerWaalsContact O-N 3.11Å; S492-Q495 WeakPolarHBondContact O-CB 3.29Å; S492-Q495 PolarHBondContact O-N 2.81Å; L493-Q495 VanDerWaalsContact C-N 3.34Å; L493-Q495 PolarHBondContact O-N 2.85Å; Q495-L498 PolarHBondContact O-N 2.93Å; Q495-M499 WeakPolarHBondContact O-CG 3.5Å; Q495-M499 PolarHBondContact O-N 3.33Å |
| 496 | V | 89.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 92.2 Ų | 92.2 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.8 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | S492 L493 L498 M499 I500 | S492-V496 WeakPolarHBondContact O-CG2 3.45Å; S492-V496 PolarHBondContact O-N 3.13Å; L493-V496 PolarHBondContact O-N 3.07Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 3.04Å; V496-M499 PolarHBondContact O-N 2.93Å; V496-I500 HydrophobicContact CG1-CD1 3.89Å; V496-I500 WeakPolarHBondContact O-CG1 3.15Å; V496-I500 PolarHBondContact O-N 3.35Å |
| 497 | V | 90.9 | Very high | 88.2 | Confident | 85 Ų | 85 | 88.4 Ų | 88.4 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L493 F494 I500 A501 | L493-V497 WeakPolarHBondContact O-CG2 3.39Å; L493-V497 PolarHBondContact O-N 3.37Å; F494-V497 PolarHBondContact O-N 3.43Å; V497-I500 PolarHBondContact O-N 2.8Å; V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.33Å |
| 498 | L | 91.6 | Very high | 88.5 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 25% | 0.251 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175 | 178 | 63.8 | 0 | 0 | 0 | 112 | F11 T15 F494 Q495 V496 I500 A501 V502 | F11-L498 HydrophobicContact CE1-CD1 4.15Å; F11-L498 HydrophobicContact CE1-CD2 4.13Å; T15-L498 HydrophobicContact CG2-CD2 4.09Å; F494-L498 WeakPolarHBondContact O-CB 3.09Å; F494-L498 PolarHBondContact O-N 3.35Å; Q495-L498 PolarHBondContact O-N 2.93Å; V496-L498 VanDerWaalsContact C-N 3.33Å; V496-L498 PolarHBondContact O-N 3.04Å; L498-I500 PolarHBondContact O-N 3.25Å; L498-A501 PolarHBondContact O-N 3.43Å; L498-V502 HydrophobicContact CD1-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.25Å |
| 499 | M | 90.6 | Very high | 88.6 | Confident | 126 Ų | 126 | 80.3 Ų | 80.3 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 176.3 | -77.2 | -62.5 | -62.4 | 0 | 0 | 112.4 | Q495 V496 V502 A503 | Q495-M499 WeakPolarHBondContact O-CG 3.5Å; Q495-M499 PolarHBondContact O-N 3.33Å; V496-M499 PolarHBondContact O-N 2.93Å; M499-V502 PolarHBondContact O-N 3.01Å; M499-A503 WeakPolarHBondContact O-CB 3.24Å; M499-A503 PolarHBondContact O-N 3.12Å |
| 500 | I | 92.6 | Very high | 88.8 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.6 | -66.8 | 165.2 | 0 | 0 | 0 | 111 | V496 V497 L498 A503 T504 | V496-I500 HydrophobicContact CG1-CD1 3.89Å; V496-I500 WeakPolarHBondContact O-CG1 3.15Å; V496-I500 PolarHBondContact O-N 3.35Å; V497-I500 PolarHBondContact O-N 2.8Å; L498-I500 PolarHBondContact O-N 3.25Å; I500-A503 PolarHBondContact O-N 3.11Å; I500-T504 WeakPolarHBondContact O-CG2 3.48Å; I500-T504 PolarHBondContact O-N 3.31Å; I500-T504 PolarHBondContact O-OG1 2.84Å |
| 501 | A | 90.6 | Very high | 88.9 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V497 L498 T504 V505 | V497-A501 WeakPolarHBondContact O-CB 3.46Å; V497-A501 PolarHBondContact O-N 3.33Å; L498-A501 PolarHBondContact O-N 3.43Å; A501-T504 PolarHBondContact O-OG1 2.92Å; A501-V505 WeakPolarHBondContact O-CG2 3.37Å; A501-V505 PolarHBondContact O-N 2.89Å; A501-V505 VanDerWaalsContact O-N 3.09Å |
| 502 | V | 93.3 | Very high | 88.4 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L498 M499 T504 V505 Q506 | L498-V502 HydrophobicContact CD1-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.25Å; M499-V502 PolarHBondContact O-N 3.01Å; V502-T504 PolarHBondContact O-N 2.99Å; V502-V505 PolarHBondContact O-N 3.45Å; V502-Q506 HydrophobicContact CG1-CG 4.35Å; V502-Q506 VanDerWaalsContact O-CG 3.31Å; V502-Q506 WeakPolarHBondContact O-CG 3.5Å; V502-Q506 PolarHBondContact O-N 2.67Å |
| 503 | A | 91.7 | Very high | 87.8 | Confident | 45 Ų | 45 | 90 Ų | 90 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M499 I500 Q506 V507 | M499-A503 WeakPolarHBondContact O-CB 3.24Å; M499-A503 PolarHBondContact O-N 3.12Å; I500-A503 PolarHBondContact O-N 3.11Å; A503-Q506 PolarHBondContact O-N 3.1Å; A503-V507 WeakPolarHBondContact O-CB 3.41Å; A503-V507 WeakPolarHBondContact O-CG2 3.34Å; A503-V507 PolarHBondContact O-N 3.19Å |
| 504 | T | 89.8 | Confident | 87.2 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | I500 A501 V502 G508 | I500-T504 WeakPolarHBondContact O-CG2 3.48Å; I500-T504 PolarHBondContact O-N 3.31Å; I500-T504 PolarHBondContact O-OG1 2.84Å; A501-T504 PolarHBondContact O-OG1 2.92Å; V502-T504 PolarHBondContact O-N 2.99Å; T504-G508 PolarHBondContact O-N 3.16Å |
| 505 | V | 88.2 | Confident | 86.1 | Confident | 92 Ų | 92 | 89 Ų | 89 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 172.5 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | A501 V502 G508 L509 | A501-V505 WeakPolarHBondContact O-CG2 3.37Å; A501-V505 PolarHBondContact O-N 2.89Å; A501-V505 VanDerWaalsContact O-N 3.09Å; V502-V505 PolarHBondContact O-N 3.45Å; V505-G508 PolarHBondContact O-N 3.07Å; V505-L509 HydrophobicContact CG1-CD1 4.02Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 3.21Å |
| 506 | Q | 89.3 | Confident | 84.7 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 176.8 | -74.2 | 174.8 | 3.5 | 0 | 0 | 111.8 | V502 A503 G508 L509 I510 | V502-Q506 HydrophobicContact CG1-CG 4.35Å; V502-Q506 VanDerWaalsContact O-CG 3.31Å; V502-Q506 WeakPolarHBondContact O-CG 3.5Å; V502-Q506 PolarHBondContact O-N 2.67Å; A503-Q506 PolarHBondContact O-N 3.1Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.8Å; Q506-L509 PolarHBondContact O-N 2.73Å; Q506-I510 WeakPolarHBondContact O-CG1 3.43Å; Q506-I510 PolarHBondContact O-N 3.1Å |
| 507 | V | 90.8 | Very high | 83.3 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 178 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | A503 R511 | A503-V507 WeakPolarHBondContact O-CB 3.41Å; A503-V507 WeakPolarHBondContact O-CG2 3.34Å; A503-V507 PolarHBondContact O-N 3.19Å; V507-R511 WeakPolarHBondContact O-CB 3.45Å; V507-R511 WeakPolarHBondContact O-CG 3.3Å; V507-R511 PolarHBondContact O-N 3.44Å |
| 508 | G | 84.8 | Confident | 81.7 | Confident | 28 Ų | 28 | 95.9 Ų | 95.9 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | T504 V505 Q506 R511 S512 | T504-G508 PolarHBondContact O-N 3.16Å; V505-G508 PolarHBondContact O-N 3.07Å; Q506-G508 VanDerWaalsContact C-N 3.31Å; Q506-G508 PolarHBondContact O-N 2.8Å; G508-R511 PolarHBondContact O-N 3.47Å; G508-S512 VanDerWaalsContact O-CB 3.28Å; G508-S512 WeakPolarHBondContact O-CB 3.2Å; G508-S512 PolarHBondContact O-N 3.38Å |
| 509 | L | 83.5 | Confident | 80.3 | Confident | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177 | -71.6 | 171.7 | 0 | 0 | 0 | 112.3 | V505 Q506 S512 L513 | V505-L509 HydrophobicContact CG1-CD1 4.02Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 3.21Å; Q506-L509 PolarHBondContact O-N 2.73Å; L509-S512 PolarHBondContact O-N 2.84Å; L509-L513 PolarHBondContact O-N 3.42Å |
| 510 | I | 87.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 55% | 0.549 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 177 | -66.8 | 165.3 | 0 | 0 | 0 | 110.5 | Q506 S512 L513 F514 | Q506-I510 WeakPolarHBondContact O-CG1 3.43Å; Q506-I510 PolarHBondContact O-N 3.1Å; I510-S512 VanDerWaalsContact C-N 3.35Å; I510-S512 PolarHBondContact O-N 2.94Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 2.89Å; I510-L513 VanDerWaalsContact O-N 3.16Å; I510-F514 HydrophobicContact CG2-CE2 4.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.15Å |
| 511 | R | 84.5 | Confident | 77.5 | Confident | 180 Ų | 180 | 105.3 Ų | 105.3 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 176.6 | -72.9 | 175.4 | 179.4 | 155.8 | 2.8 | 112.2 | V507 G508 L513 F514 D515 | V507-R511 WeakPolarHBondContact O-CB 3.45Å; V507-R511 WeakPolarHBondContact O-CG 3.3Å; V507-R511 PolarHBondContact O-N 3.44Å; G508-R511 PolarHBondContact O-N 3.47Å; R511-L513 PolarHBondContact O-N 3Å; R511-F514 PolarHBondContact O-N 3.34Å; R511-D515 PolarHBondContact O-N 3.48Å; R511-D515 VanDerWaalsContact O-N 3.08Å |
| 512 | S | 76.8 | Confident | 76.3 | Confident | 23 Ų | 23 | 110.6 Ų | 110.6 | 16% | 0.161 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -64.7 | -16.3 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 114.3 | G508 L509 I510 F520 | G508-S512 VanDerWaalsContact O-CB 3.28Å; G508-S512 WeakPolarHBondContact O-CB 3.2Å; G508-S512 PolarHBondContact O-N 3.38Å; L509-S512 PolarHBondContact O-N 2.84Å; I510-S512 VanDerWaalsContact C-N 3.35Å; I510-S512 PolarHBondContact O-N 2.94Å; S512-F520 WeakPolarHBondContact OG-CB 3.41Å |
| 513 | L | 73.9 | Confident | 75.2 | Confident | 141 Ų | 141 | 114.6 Ų | 114.6 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -82.4 | -25.1 | 176.6 | -167.8 | 141.5 | 0 | 0 | 0 | 112.2 | L509 I510 R511 | L509-L513 PolarHBondContact O-N 3.42Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 2.89Å; I510-L513 VanDerWaalsContact O-N 3.16Å; R511-L513 PolarHBondContact O-N 3Å |
| 514 | F | 75.4 | Confident | 73.9 | Confident | 168 Ų | 168 | 122 Ų | 122 | 74% | 0.737 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -94.1 | -28.6 | 176.1 | -66.6 | -73.7 | 0 | 0 | 0 | 113.5 | I510 R511 Q516 | I510-F514 HydrophobicContact CG2-CE2 4.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.15Å; R511-F514 PolarHBondContact O-N 3.34Å; F514-Q516 PolarHBondContact O-N 3.3Å |
| 515 | D | 64.1 | Low | 72.9 | Confident | 73 Ų | 73 | 122.5 Ų | 122.5 | 39% | 0.39 | 57% | 0.571 | S | S | . | * | trans | -87.6 | 102.6 | 176 | 173.2 | 31.5 | 0 | 0 | 0 | 112.7 | R511 K517 S518 | R511-D515 PolarHBondContact O-N 3.48Å; R511-D515 VanDerWaalsContact O-N 3.08Å; D515-K517 PolarHBondContact O-N 3.22Å; D515-K517 WeakPolarHBondContact OD1-CB 3.46Å; D515-K517 PolarHBondContact OD1-N 3.28Å; D515-S518 WeakPolarHBondContact O-CB 3.34Å; D515-S518 PolarHBondContact O-N 3.07Å; D515-S518 VanDerWaalsContact O-N 3.14Å; D515-S518 WeakPolarHBondContact OD2-CA 3.39Å; D515-S518 VanDerWaalsContact OD2-CB 3.32Å; D515-S518 WeakPolarHBondContact OD2-CB 3.02Å; D515-S518 PolarHBondContact OD2-N 2.78Å; D515-S518 PolarHBondContact OD2-OG 3.03Å | ||
| 516 | Q | 59.2 | Low | 71.6 | Confident | 201 Ų | 201 | 120.8 Ų | 120.8 | 94% | 0.939 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -5.5 | 174.9 | -71.5 | -175.1 | -28.4 | 0 | 0 | 114.9 | F514 | F514-Q516 PolarHBondContact O-N 3.3Š|
| 517 | K | 60.3 | Low | 70.2 | Confident | 188 Ų | 188 | 125.7 Ų | 125.7 | 82% | 0.817 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 0.3 | 175.6 | -66.9 | 178.4 | 178.5 | 174.8 | 0 | 113.9 | D515 Y519 | D515-K517 PolarHBondContact O-N 3.22Å; D515-K517 WeakPolarHBondContact OD1-CB 3.46Å; D515-K517 PolarHBondContact OD1-N 3.28Å; K517-Y519 PolarHBondContact O-N 3.43Å |
| 518 | S | 58.1 | Low | 68.6 | Low | 32 Ų | 32 | 134 Ų | 134 | 22% | 0.224 | 62% | 0.616 | C | S | . | * | trans | -68.7 | 130.1 | -176.1 | -92.4 | 0 | 0 | 0 | 0 | 113.7 | D515 F520 Y521 | D515-S518 WeakPolarHBondContact O-CB 3.34Å; D515-S518 PolarHBondContact O-N 3.07Å; D515-S518 VanDerWaalsContact O-N 3.14Å; D515-S518 WeakPolarHBondContact OD2-CA 3.39Å; D515-S518 VanDerWaalsContact OD2-CB 3.32Å; D515-S518 WeakPolarHBondContact OD2-CB 3.02Å; D515-S518 PolarHBondContact OD2-N 2.78Å; D515-S518 PolarHBondContact OD2-OG 3.03Å; S518-F520 PolarHBondContact O-N 2.73Å; S518-Y521 PolarHBondContact O-N 2.87Å; S518-Y521 VanDerWaalsContact O-N 3.14Å | ||
| 519 | Y | 60.7 | Low | 67.1 | Low | 200 Ų | 200 | 137.6 Ų | 137.6 | 78% | 0.784 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.8 | -24.4 | -179.1 | -83 | -95.3 | 0 | 0 | 0 | 114.3 | K517 Y521 K522 I523 | K517-Y519 PolarHBondContact O-N 3.43Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 3.32Å; Y519-K522 WeakPolarHBondContact O-CB 3.43Å; Y519-K522 PolarHBondContact O-N 2.82Å; Y519-I523 PolarHBondContact O-N 3.24Å |
| 520 | F | 62.9 | Low | 65.7 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 51% | 0.513 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.8 | -28.2 | 178.2 | -76.6 | -84.4 | 0 | 0 | 0 | 113.6 | S512 S518 K522 I523 W524 | S512-F520 WeakPolarHBondContact OG-CB 3.41Å; S518-F520 PolarHBondContact O-N 2.73Å; F520-K522 VanDerWaalsContact C-N 3.31Å; F520-K522 PolarHBondContact O-N 3.06Å; F520-I523 HydrophobicContact CD1-CG2 4.09Å; F520-I523 PolarHBondContact O-N 3.48Å; F520-W524 WeakPolarHBondContact O-CB 3.27Å; F520-W524 PolarHBondContact O-N 3.03Å |
| 521 | Y | 61.5 | Low | 64 | Low | 157 Ų | 157 | 144.2 Ų | 144.2 | 62% | 0.616 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.5 | -40.5 | 172 | -170.2 | -83.4 | 0 | 0 | 0 | 111.3 | S518 Y519 F525 | S518-Y521 PolarHBondContact O-N 2.87Å; S518-Y521 VanDerWaalsContact O-N 3.14Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 3.32Å; Y521-F525 HydrophobicContact CD1-CB 4.38Å; Y521-F525 HydrophobicContact CD1-CD2 4.27Å; Y521-F525 AromaticContact CD2-CD2 3.51Å; Y521-F525 HydrophobicContact CD2-CD2 3.51Å; Y521-F525 AromaticContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CE1-CB 4.02Å; Y521-F525 HydrophobicContact CE1-CD2 4.05Å; Y521-F525 HydrophobicContact CE1-CG 4.35Å; Y521-F525 AromaticContact CE2-CD2 3.24Å; Y521-F525 HydrophobicContact CE2-CD2 3.24Å; Y521-F525 AromaticContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CE2 3.41Å; Y521-F525 VanDerWaalsContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CG 4.17Å; Y521-F525 HydrophobicContact CE2-CZ 4.45Å; Y521-F525 HydrophobicContact CG-CD2 4.02Å; Y521-F525 AromaticContact CZ-CD2 3.53Å; Y521-F525 WeakPolarHBondContact O-CB 3.35Å; Y521-F525 PolarHBondContact O-N 3.27Å |
| 522 | K | 65.8 | Low | 62.4 | Low | 158 Ų | 158 | 143.1 Ų | 143.1 | 69% | 0.687 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.3 | -35.6 | 174.4 | -85.8 | -177.2 | 173.8 | 178 | 0 | 112.6 | Y519 F520 G526 | Y519-K522 WeakPolarHBondContact O-CB 3.43Å; Y519-K522 PolarHBondContact O-N 2.82Å; F520-K522 VanDerWaalsContact C-N 3.31Å; F520-K522 PolarHBondContact O-N 3.06Å; K522-G526 WeakPolarHBondContact O-CA 3.43Å; K522-G526 PolarHBondContact O-N 3Å; K522-G526 VanDerWaalsContact O-N 3.07Å |
| 523 | I | 70 | Confident | 61 | Low | 139 Ų | 139 | 150 Ų | 150 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.6 | -34 | 178.4 | -141 | 71.6 | 0 | 0 | 0 | 112.5 | Y519 F520 | Y519-I523 PolarHBondContact O-N 3.24Å; F520-I523 HydrophobicContact CD1-CG2 4.09Å; F520-I523 PolarHBondContact O-N 3.48Å |
| 524 | W | 65.1 | Low | 59.7 | Low | 200 Ų | 200 | 147.7 Ų | 147.7 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -90.2 | -37.4 | -173.6 | -160.2 | 63.9 | 0 | 0 | 0 | 113.9 | F520 | F520-W524 WeakPolarHBondContact O-CB 3.27Å; F520-W524 PolarHBondContact O-N 3.03Å |
| 525 | F | 68.1 | Low | 58.3 | Low | 100 Ų | 100 | 151.1 Ų | 151.1 | 44% | 0.439 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.6 | -28.2 | 176.8 | -72 | -74 | 0 | 0 | 0 | 114.2 | Y521 K527 R528 | Y521-F525 HydrophobicContact CD1-CB 4.38Å; Y521-F525 HydrophobicContact CD1-CD2 4.27Å; Y521-F525 AromaticContact CD2-CD2 3.51Å; Y521-F525 HydrophobicContact CD2-CD2 3.51Å; Y521-F525 AromaticContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CD2-CE2 3.82Å; Y521-F525 HydrophobicContact CE1-CB 4.02Å; Y521-F525 HydrophobicContact CE1-CD2 4.05Å; Y521-F525 HydrophobicContact CE1-CG 4.35Å; Y521-F525 AromaticContact CE2-CD2 3.24Å; Y521-F525 HydrophobicContact CE2-CD2 3.24Å; Y521-F525 AromaticContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CE2 3.41Å; Y521-F525 VanDerWaalsContact CE2-CE2 3.41Å; Y521-F525 HydrophobicContact CE2-CG 4.17Å; Y521-F525 HydrophobicContact CE2-CZ 4.45Å; Y521-F525 HydrophobicContact CG-CD2 4.02Å; Y521-F525 AromaticContact CZ-CD2 3.53Å; Y521-F525 WeakPolarHBondContact O-CB 3.35Å; Y521-F525 PolarHBondContact O-N 3.27Å; F525-K527 PolarHBondContact O-N 2.64Å; F525-R528 PolarHBondContact O-N 2.87Å |
| 526 | G | 62 | Low | 57.2 | Low | 56 Ų | 56 | 157.3 Ų | 157.3 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 11.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | K522 | K522-G526 WeakPolarHBondContact O-CA 3.43Å; K522-G526 PolarHBondContact O-N 3Å; K522-G526 VanDerWaalsContact O-N 3.07Å |
| 527 | K | 58.6 | Low | 57.1 | Low | 210 Ų | 210 | 155.2 Ų | 155.2 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 5.1 | 173.5 | -80.1 | -170.2 | 172.6 | -176.9 | 0 | 115 | F525 | F525-K527 PolarHBondContact O-N 2.64Š|
| 528 | R | 57.3 | Low | 56.9 | Low | 235 Ų | 235 | 153.4 Ų | 153.4 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -107.4 | 1.3 | -171.7 | -152.6 | 168.4 | -177.3 | 140.4 | 5 | 116.6 | F525 | F525-R528 PolarHBondContact O-N 2.87Š|
| 529 | S | 53.5 | Low | 56.9 | Low | 103 Ų | 103 | 160.2 Ų | 160.2 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -130.9 | 46.7 | -168.7 | -164.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 530 | Q | 54.8 | Low | 56.7 | Low | 189 Ų | 189 | 157.8 Ų | 157.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -119.4 | 8.9 | 168.1 | -81 | -169.1 | -28.5 | 0 | 0 | 114.4 | ||
| 531 | N | 51.3 | Low | 56.3 | Low | 158 Ų | 158 | 160.4 Ų | 160.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -128.6 | 38.6 | 179 | -80.5 | -51.7 | 0 | 0 | 0 | 113.4 | ||||
| 532 | L | 51.6 | Low | 55.9 | Low | 158 Ų | 158 | 160.6 Ų | 160.6 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -119 | 74.4 | 158.6 | -92.5 | 87.6 | 0 | 0 | 0 | 108.9 | ||||
| 533 | N | 46 | Very low | 55.2 | Low | 167 Ų | 167 | 160.8 Ų | 160.8 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -147 | 62 | 170.2 | -122.9 | -9.4 | 0 | 0 | 0 | 108.6 | ||||
| 534 | A | 48.2 | Very low | 54.1 | Low | 92 Ų | 92 | 162.5 Ų | 162.5 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -147.6 | 94.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 535 | R | 45.3 | Very low | 53.2 | Low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | 67 | 123.9 | 165.1 | -70.5 | -179 | 168.8 | 159.7 | -2.5 | 119.5 | ||||
| 536 | C | 41.2 | Very low | 51.8 | Low | 203 Ų | 203 | 164.7 Ų | 164.7 | 100% | 1.372 | 87% | 0.872 | S | S | * | * | trans | 65.4 | 0 | 147.3 | -59.1 | 0 | 0 | 0 | 0 | 117 |
Retrieved 536 of 536 residues in 574.4 ms
(Link to these results)