| 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 | 43.2 | Very low | 57.6 | Low | 231 Ų | 231 | 116.7 Ų | 116.7 | 100% | 1.138 | 63% | 0.631 | S | S | * | * | 0 | 117.7 | 0 | -74.6 | 170.5 | 175.7 | 0 | 0 | 106.9 | |||||
| 2 | T | 46.1 | Very low | 57.8 | Low | 98 Ų | 98 | 119.3 Ų | 119.3 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | trans | -69.2 | 150 | -170.9 | 39.1 | 0 | 0 | 0 | 0 | 111.7 | Q4 S5 | T2-Q4 PolarHBondContact O-N 3.13Å; T2-S5 PolarHBondContact O-N 3.47Å; T2-S5 VanDerWaalsContact O-N 3.13Å | ||
| 3 | P | 51.5 | Low | 57.8 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 71% | 0.714 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13.5 | -172.1 | 21.8 | -33.1 | 0 | 0 | 0 | 115.1 | S5 L6 | P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.05Å; P3-L6 PolarHBondContact O-N 2.85Å |
| 4 | Q | 57.7 | Low | 57.5 | Low | 154 Ų | 154 | 116.7 Ų | 116.7 | 72% | 0.72 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -30.2 | 174.4 | -82.8 | 174.5 | -36.2 | 0 | 0 | 113.5 | T2 L6 L7 Q8 | T2-Q4 PolarHBondContact O-N 3.13Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 3.16Å; Q4-L7 PolarHBondContact O-N 3.26Å; Q4-Q8 PolarHBondContact O-N 2.8Å |
| 5 | S | 57.4 | Low | 57 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 40% | 0.399 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.4 | -27.2 | -179.3 | 79.3 | 0 | 0 | 0 | 0 | 113.1 | T2 P3 T9 | T2-S5 PolarHBondContact O-N 3.47Å; T2-S5 VanDerWaalsContact O-N 3.13Å; P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.05Å; S5-T9 PolarHBondContact O-N 3.41Å; S5-T9 PolarHBondContact O-OG1 3.23Å |
| 6 | L | 57.1 | Low | 56.4 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.8 | -33.4 | 177.2 | -103.7 | 140.5 | 0 | 0 | 0 | 112.2 | P3 Q4 T9 T10 | P3-L6 PolarHBondContact O-N 2.85Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 3.16Å; L6-T9 WeakPolarHBondContact CA-OG1 3.29Å; L6-T9 PolarHBondContact O-OG1 3.25Å; L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.07Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.02Å |
| 7 | L | 66.3 | Low | 55.7 | Low | 117 Ų | 117 | 111.7 Ų | 111.7 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.4 | -37.4 | 176.2 | -158.3 | 77.3 | 0 | 0 | 0 | 111.7 | Q4 T10 L11 | Q4-L7 PolarHBondContact O-N 3.26Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.13Å; L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.05Å |
| 8 | Q | 61.7 | Low | 54.7 | Low | 143 Ų | 143 | 113.4 Ų | 113.4 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70 | -37.5 | 177.9 | -116.7 | 170.4 | -23.3 | 0 | 0 | 112.7 | Q4 F12 | Q4-Q8 PolarHBondContact O-N 2.8Å; Q8-F12 PolarHBondContact O-N 3.24Å |
| 9 | T | 65 | Low | 53.7 | Low | 79 Ų | 79 | 114.9 Ų | 114.9 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -38.5 | 174.8 | 30.7 | 0 | 0 | 0 | 0 | 112.1 | S5 L6 F12 L13 | S5-T9 PolarHBondContact O-N 3.41Å; S5-T9 PolarHBondContact O-OG1 3.23Å; L6-T9 WeakPolarHBondContact CA-OG1 3.29Å; L6-T9 PolarHBondContact O-OG1 3.25Å; T9-F12 PolarHBondContact O-N 3.16Å; T9-L13 WeakPolarHBondContact O-CB 3.31Å; T9-L13 PolarHBondContact O-N 2.96Å |
| 10 | T | 62.1 | Low | 52.7 | Low | 63 Ų | 63 | 113.4 Ų | 113.4 | 39% | 0.387 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.2 | -39.1 | 175 | 45 | 0 | 0 | 0 | 0 | 112.6 | L6 L7 L13 L14 | L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.07Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.02Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.13Å; T10-L13 PolarHBondContact O-N 3.07Å; T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 3.49Å |
| 11 | L | 65.9 | Low | 51.5 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 173 | -92 | 149.4 | 0 | 0 | 0 | 113 | L7 L14 S15 | L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.19Å; L11-S15 PolarHBondContact O-N 3.01Å |
| 12 | F | 59.6 | Low | 50.7 | Low | 148 Ų | 148 | 108 Ų | 108 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 174.6 | -117.7 | -84.8 | 0 | 0 | 0 | 112.7 | Q8 T9 S15 L16 | Q8-F12 PolarHBondContact O-N 3.24Å; T9-F12 PolarHBondContact O-N 3.16Å; F12-S15 PolarHBondContact O-N 2.74Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-S15 VanDerWaalsContact O-OG 3.07Å; F12-L16 HydrophobicContact CD1-CD1 4.48Å; F12-L16 PolarHBondContact O-N 3.31Å; F12-L16 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 58.3 | Low | 49.8 | Very low | 113 Ų | 113 | 107.4 Ų | 107.4 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | 173.3 | -91.4 | 147.1 | 0 | 0 | 0 | 111.9 | T9 T10 L16 L17 | T9-L13 WeakPolarHBondContact O-CB 3.31Å; T9-L13 PolarHBondContact O-N 2.96Å; T10-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.01Å |
| 14 | L | 53.9 | Low | 48.5 | Very low | 89 Ų | 89 | 110.2 Ų | 110.2 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -39.2 | 174.1 | -92.9 | 145.4 | 0 | 0 | 0 | 112.3 | T10 L11 L16 L17 F18 | T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 3.19Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-F18 HydrophobicContact CD2-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CE2 3.88Å; L14-F18 WeakPolarHBondContact O-CD2 3.36Å; L14-F18 PolarHBondContact O-N 3.27Å |
| 15 | S | 50 | Low | 46.9 | Very low | 50 Ų | 50 | 106.2 Ų | 106.2 | 35% | 0.35 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -35.1 | 175.7 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | L11 F12 F18 L19 | L11-S15 PolarHBondContact O-N 3.01Å; F12-S15 PolarHBondContact O-N 2.74Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-S15 VanDerWaalsContact O-OG 3.07Å; S15-F18 PolarHBondContact O-N 2.93Å; S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 WeakPolarHBondContact O-CG 3.19Å; S15-L19 PolarHBondContact O-N 3.33Å |
| 16 | L | 46.7 | Very low | 45.7 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 170.2 | -107.7 | 105 | 0 | 0 | 0 | 112 | F12 L13 L14 F18 L19 V20 | F12-L16 HydrophobicContact CD1-CD1 4.48Å; F12-L16 PolarHBondContact O-N 3.31Å; F12-L16 VanDerWaalsContact O-N 3.08Å; L13-L16 PolarHBondContact O-N 3.05Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 3.06Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 2.73Å |
| 17 | L | 44 | Very low | 44.9 | Very low | 112 Ų | 112 | 109.1 Ų | 109.1 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.3 | -38 | 175.6 | -81.4 | 157.9 | 0 | 0 | 0 | 112 | L13 L14 Q21 | L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.01Å; L14-L17 PolarHBondContact O-N 3.43Å; L17-Q21 PolarHBondContact O-N 2.74Å |
| 18 | F | 38.7 | Very low | 44.3 | Very low | 143 Ų | 143 | 109.3 Ų | 109.3 | 63% | 0.627 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.8 | -28.8 | 175.8 | -79.1 | -66.9 | 0 | 0 | 0 | 113.8 | L14 S15 L16 V20 | L14-F18 HydrophobicContact CD2-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CE2 3.88Å; L14-F18 WeakPolarHBondContact O-CD2 3.36Å; L14-F18 PolarHBondContact O-N 3.27Å; S15-F18 PolarHBondContact O-N 2.93Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.26Å; F18-V20 VanDerWaalsContact C-N 3.33Å |
| 19 | L | 35.5 | Very low | 44.5 | Very low | 142 Ų | 142 | 105.7 Ų | 105.7 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.3 | -22.7 | 173.2 | -82.6 | 158.7 | 0 | 0 | 0 | 112.9 | S15 L16 | S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 WeakPolarHBondContact O-CG 3.19Å; S15-L19 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.06Å |
| 20 | V | 32.9 | Very low | 45.3 | Very low | 84 Ų | 84 | 104.7 Ų | 104.7 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -88.2 | -16 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | L16 F18 G22 A23 | L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 2.73Å; F18-V20 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 2.86Å; V20-G22 VanDerWaalsContact O-N 3.1Å; V20-A23 PolarHBondContact O-N 3.5Å |
| 21 | Q | 27.2 | Very low | 46.4 | Very low | 157 Ų | 157 | 102 Ų | 102 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 2.1 | 175.7 | -75.6 | -166.3 | -37.1 | 0 | 0 | 114.8 | L17 | L17-Q21 PolarHBondContact O-N 2.74Š|
| 22 | G | 27.7 | Very low | 47.6 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V20 | V20-G22 PolarHBondContact O-N 2.86Å; V20-G22 VanDerWaalsContact O-N 3.1Å |
| 23 | A | 27.3 | Very low | 49.2 | Very low | 85 Ų | 85 | 92.8 Ų | 92.8 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -130.3 | 9.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V20 G25 | V20-A23 PolarHBondContact O-N 3.5Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.09Å |
| 24 | H | 23.1 | Very low | 50.9 | Low | 170 Ų | 170 | 87.4 Ų | 87.4 | 79% | 0.787 | 49% | 0.488 | S | S | * | . | trans | -97 | 46.1 | 168.4 | -88.7 | 51.1 | 0 | 0 | 0 | 111.7 | R26 | H24-R26 VanDerWaalsContact C-N 3.27Å; H24-R26 PolarHBondContact O-N 3.14Å | ||
| 25 | G | 25.6 | Very low | 52.9 | Low | 70 Ų | 70 | 83.7 Ų | 83.7 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | trans | -65.8 | 93.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | A23 G27 | A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.09Å; G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.29Å | ||
| 26 | R | 31.1 | Very low | 55 | Low | 168 Ų | 168 | 81.3 Ų | 81.3 | 63% | 0.634 | 45% | 0.453 | S | S | * | . | trans | -48.5 | 98 | 161.5 | -168.7 | 179.8 | -161 | -149.3 | -4.1 | 106.1 | H24 H28 E257 | H24-R26 VanDerWaalsContact C-N 3.27Å; H24-R26 PolarHBondContact O-N 3.14Å; R26-H28 PolarHBondContact O-N 3.31Å; R26-E257 IonicContact CZ-OE1 3.09Å; R26-E257 IonicContact NH2-OE1 3.51Å; R26-E257 PolarHBondContact NH2-OE1 2.98Å | ||
| 27 | G | 41 | Very low | 57.2 | Low | 70 Ų | 70 | 79.4 Ų | 79.4 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | trans | -63.5 | 100.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | G25 R29 | G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.29Å; G27-R29 PolarHBondContact O-N 2.78Å | ||
| 28 | H | 52.3 | Low | 59.6 | Low | 121 Ų | 121 | 74.1 Ų | 74.1 | 56% | 0.56 | 41% | 0.414 | S | S | * | . | trans | -61.1 | 137.2 | 173.2 | -76.6 | -69.1 | 0 | 0 | 0 | 108 | R26 E30 | R26-H28 PolarHBondContact O-N 3.31Å; H28-E30 WeakPolarHBondContact O-CG 3.36Å; H28-E30 PolarHBondContact O-N 3.37Å | ||
| 29 | R | 67.3 | Low | 62.1 | Low | 68 Ų | 68 | 71.7 Ų | 71.7 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | trans | -64.4 | 105.5 | 175 | -164 | -174.4 | -152.7 | 174.6 | 34.5 | 108.2 | G27 N95 H97 E229 E230 D231 N234 | G27-R29 PolarHBondContact O-N 2.78Å; R29-N95 PolarHBondContact O-ND2 2.87Å; R29-N95 PolarHBondContact O-OD1 3.26Å; R29-H97 PolarHBondContact NH1-NE2 3.05Å; R29-E229 IonicContact NE-OE2 3.84Å; R29-E229 PolarHBondContact NE-OE2 2.79Å; R29-E229 VanDerWaalsContact NH2-CA 3.33Å; R29-E229 PolarHBondContact NH2-O 3.47Å; R29-E229 IonicContact NH2-OE2 3.7Å; R29-E230 PolarHBondContact NH1-O 2.89Å; R29-E230 PolarHBondContact NH2-O 3.02Å; R29-D231 IonicContact NH1-OD1 3.05Å; R29-D231 PolarHBondContact NH1-OD1 3.39Å; R29-N234 PolarHBondContact NH2-OD1 3.04Å; R29-N234 VanDerWaalsContact NH2-OD1 3.13Å | ||
| 30 | E | 81 | Confident | 64.6 | Low | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | trans | -112.2 | 126.4 | -175.1 | -71.3 | 159.4 | -166.3 | 0 | 0 | 109.1 | H28 R33 Y93 | H28-E30 WeakPolarHBondContact O-CG 3.36Å; H28-E30 PolarHBondContact O-N 3.37Å; E30-R33 WeakPolarHBondContact OE2-CD 3.28Å; E30-R33 IonicContact OE2-NH1 3.69Å; E30-Y93 HydrophobicContact CG-CD1 4.13Å; E30-Y93 WeakPolarHBondContact OE1-CD1 3.49Å; E30-Y93 VanDerWaalsContact OE2-CD1 3.28Å; E30-Y93 WeakPolarHBondContact OE2-CD1 3.32Å; E30-Y93 WeakPolarHBondContact OE2-CE1 3.4Å | ||
| 31 | D | 85.6 | Confident | 67.2 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.032 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -79 | -30.3 | 179.4 | -63.5 | -99.5 | 0 | 0 | 0 | 111.1 | W94 R96 H97 S142 W143 | D31-W94 HydrophobicContact CB-CD2 4.44Å; D31-W94 HydrophobicContact CB-CE3 4.46Å; D31-W94 PolarHBondContact N-O 2.81Å; D31-R96 IonicContact OD1-NE 2.79Å; D31-R96 WeakPolarHBondContact OD2-CB 3.24Å; D31-R96 PolarHBondContact OD2-N 3.37Å; D31-H97 IonicContact OD2-ND1 2.63Å; D31-S142 WeakPolarHBondContact O-CA 3.31Å; D31-W143 PolarHBondContact O-N 3.3Å |
| 32 | F | 90.9 | Very high | 69.9 | Low | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 136.7 | 176.7 | 174.4 | -91.3 | 0 | 0 | 0 | 110.4 | F34 I56 L92 W94 V140 T141 F159 F161 | F32-F34 HydrophobicContact CE1-CB 3.75Å; F32-F34 HydrophobicContact CZ-CB 3.9Å; F32-I56 HydrophobicContact CD1-CD1 4.34Å; F32-I56 HydrophobicContact CE1-CD1 4.44Å; F32-L92 HydrophobicContact CE1-CD2 4.37Å; F32-W94 HydrophobicContact CB-CB 4.13Å; F32-W94 HydrophobicContact CB-CD2 4.49Å; F32-W94 HydrophobicContact CB-CE3 3.69Å; F32-W94 HydrophobicContact CB-CZ3 4.47Å; F32-W94 PolarHBondContact N-O 3.32Å; F32-W94 PolarHBondContact O-N 2.96Å; F32-V140 HydrophobicContact CD2-CG2 4.25Å; F32-V140 HydrophobicContact CE2-CG2 3.55Å; F32-V140 HydrophobicContact CZ-CG2 4.01Å; F32-T141 WeakPolarHBondContact CA-O 3.2Å; F32-F159 HydrophobicContact CE2-CB 4.33Å; F32-F159 AromaticContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD2 4.16Å; F32-F159 HydrophobicContact CE2-CE1 4.32Å; F32-F159 AromaticContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CZ-CB 4.45Å; F32-F159 HydrophobicContact CZ-CD1 4.2Å; F32-F159 AromaticContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CE1 4.38Å; F32-F159 AromaticContact CZ-CE2 3.83Å; F32-F159 HydrophobicContact CZ-CE2 3.83Å; F32-F159 AromaticContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CZ 4.22Å; F32-F161 HydrophobicContact CD2-CZ 4.13Å; F32-F161 HydrophobicContact CE2-CZ 4.3Å |
| 33 | R | 92.9 | Very high | 72.8 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.7 | 173 | 166.8 | -174.7 | 78.4 | -169.4 | 8.2 | 110 | E30 L92 Y93 V140 T141 N148 | E30-R33 WeakPolarHBondContact OE2-CD 3.28Å; E30-R33 IonicContact OE2-NH1 3.69Å; R33-L92 CarbonylContact C-O 3.54Å; R33-L92 VanDerWaalsContact CA-O 3.28Å; R33-L92 WeakPolarHBondContact CA-O 3.48Å; R33-Y93 HydrophobicContact CB-CD1 3.93Å; R33-Y93 HydrophobicContact CB-CE1 4.33Å; R33-Y93 HydrophobicContact CG-CD1 3.71Å; R33-Y93 HydrophobicContact CG-CE1 3.66Å; R33-V140 CarbonylContact O-C 3.48Å; R33-V140 WeakPolarHBondContact O-CA 3.37Å; R33-T141 WeakPolarHBondContact CB-OG1 3.44Å; R33-T141 PolarHBondContact N-O 3.46Å; R33-T141 PolarHBondContact NE-OG1 3.15Å; R33-T141 PolarHBondContact O-N 3.21Å; R33-T141 PolarHBondContact O-OG1 3.18Å; R33-N148 PolarHBondContact NH2-OD1 2.67Å |
| 34 | F | 94.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118 | 174.5 | 171.4 | -90.6 | 0 | 0 | 0 | 108.8 | F32 I58 F90 C91 L92 L135 T138 S139 F157 F159 | F32-F34 HydrophobicContact CE1-CB 3.75Å; F32-F34 HydrophobicContact CZ-CB 3.9Å; F34-I58 HydrophobicContact CD1-CD1 3.89Å; F34-I58 HydrophobicContact CD1-CG1 4.25Å; F34-I58 HydrophobicContact CD2-CD1 4.28Å; F34-I58 HydrophobicContact CE1-CB 4.36Å; F34-I58 HydrophobicContact CE1-CD1 4.11Å; F34-I58 HydrophobicContact CE1-CG1 4.27Å; F34-I58 HydrophobicContact CE1-CG2 4.17Å; F34-I58 HydrophobicContact CE2-CD1 4.43Å; F34-I58 HydrophobicContact CG-CD1 3.98Å; F34-I58 HydrophobicContact CZ-CD1 4.37Å; F34-F90 HydrophobicContact CD1-CE2 4.13Å; F34-F90 AromaticContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CZ 4.1Å; F34-C91 CarbonylContact O-C 3.5Å; F34-C91 VanDerWaalsContact O-CA 3.22Å; F34-C91 WeakPolarHBondContact O-CA 3.36Å; F34-L92 HydrophobicContact CB-CB 4.33Å; F34-L92 PolarHBondContact N-O 3.43Å; F34-L92 PolarHBondContact O-N 3.11Å; F34-L135 HydrophobicContact CE1-CD1 4.46Å; F34-L135 HydrophobicContact CZ-CD1 4.26Å; F34-T138 HydrophobicContact CD2-CG2 4.09Å; F34-T138 HydrophobicContact CE1-CG2 4.5Å; F34-T138 HydrophobicContact CE2-CG2 3.18Å; F34-T138 HydrophobicContact CZ-CG2 3.44Å; F34-T138 VanDerWaalsContact CZ-CG2 3.44Å; F34-S139 WeakPolarHBondContact CA-O 3.32Å; F34-F157 HydrophobicContact CE2-CB 4.14Å; F34-F157 HydrophobicContact CE2-CD1 4.5Å; F34-F157 AromaticContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CE2 4.31Å; F34-F157 AromaticContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CZ-CB 4.44Å; F34-F157 AromaticContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CE2 4Å; F34-F157 HydrophobicContact CZ-CG 4.1Å; F34-F159 AromaticContact CD2-CE2 3.65Å; F34-F159 HydrophobicContact CD2-CE2 3.65Å; F34-F159 AromaticContact CD2-CZ 3.54Å; F34-F159 HydrophobicContact CD2-CZ 3.54Å; F34-F159 AromaticContact CE2-CE2 3.98Å; F34-F159 HydrophobicContact CE2-CE2 3.98Å; F34-F159 AromaticContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CG-CE2 4.38Å |
| 35 | C | 95 | Very high | 79 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.1 | -179.6 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | F90 C91 T138 S139 | C35-F90 CarbonylContact C-O 3.5Å; C35-F90 WeakPolarHBondContact CA-O 3.23Å; C35-C91 HydrophobicContact CB-CB 4.17Å; C35-C91 WeakPolarHBondContact CB-SG 3.29Å; C35-C91 WeakPolarHBondContact SG-CB 3.27Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 2.99Å; C35-T138 CarbonylContact O-C 3.59Å; C35-T138 WeakPolarHBondContact O-CA 3.19Å; C35-S139 PolarHBondContact N-O 2.99Å; C35-S139 PolarHBondContact O-N 3.24Å |
| 36 | S | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 168.7 | -177.3 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | H89 F90 L135 L136 T138 | S36-H89 PolarHBondContact O-ND1 3.34Å; S36-H89 VanDerWaalsContact O-ND1 3.12Å; S36-F90 PolarHBondContact N-O 3.24Å; S36-F90 PolarHBondContact O-N 2.93Å; S36-F90 VanDerWaalsContact O-O 3.1Å; S36-L135 WeakPolarHBondContact OG-CB 3.34Å; S36-L136 PolarHBondContact OG-O 2.87Å; S36-T138 PolarHBondContact OG-OG1 3.46Å |
| 37 | Q | 94.1 | Very high | 85.3 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.2 | 170 | -61.8 | -179.4 | -14.9 | 0 | 0 | 110.7 | L87 Y88 H89 L136 A137 | Q37-L87 HydrophobicContact CB-CD1 4.13Å; Q37-L87 HydrophobicContact CB-CG 4.46Å; Q37-Y88 CarbonylContact C-O 3.58Å; Q37-Y88 VanDerWaalsContact CA-O 3.32Å; Q37-Y88 WeakPolarHBondContact CA-O 3.32Å; Q37-H89 HydrophobicContact CG-CB 4.34Å; Q37-L136 HydrophobicContact CB-CB 4.31Å; Q37-L136 WeakPolarHBondContact CB-O 3.17Å; Q37-L136 PolarHBondContact N-O 3.44Å; Q37-L136 PolarHBondContact O-N 3.4Å; Q37-A137 HydrophobicContact CG-CB 4.31Å |
| 38 | R | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.1 | 176.6 | 174.4 | -164.5 | 165.1 | 127.6 | -7.2 | 109.4 | S44 N60 S61 E62 A64 Y88 F90 L135 | R38-S44 PolarHBondContact NH2-OG 3.04Å; R38-N60 WeakPolarHBondContact CD-OD1 3.48Å; R38-N60 WeakPolarHBondContact CG-OD1 3.34Å; R38-N60 PolarHBondContact NE-OD1 3.38Å; R38-N60 PolarHBondContact NH1-OD1 2.76Å; R38-S61 PolarHBondContact NH1-O 3.34Å; R38-S61 PolarHBondContact NH2-O 3.12Å; R38-E62 VanDerWaalsContact NH2-C 3.34Å; R38-E62 PolarHBondContact NH2-O 3.5Å; R38-A64 PolarHBondContact NH1-O 3.43Å; R38-Y88 PolarHBondContact N-O 3.21Å; R38-Y88 PolarHBondContact O-N 3.31Å; R38-F90 HydrophobicContact CB-CD1 4.35Å; R38-F90 HydrophobicContact CB-CE1 4Å; R38-L135 HydrophobicContact CB-CD2 3.85Å; R38-L135 HydrophobicContact CG-CD2 4.39Å |
| 39 | N | 91.1 | Very high | 89.8 | Confident | 91 Ų | 91 | 42.9 Ų | 42.9 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.2 | 168.9 | -168.1 | 7.6 | 0 | 0 | 0 | 110.6 | L87 | N39-L87 HydrophobicContact CB-CD1 4.49Å |
| 40 | Q | 89 | Confident | 91.1 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 101.2 | 179.1 | -174.9 | 177 | -35.5 | 0 | 0 | 110.3 | H42 P82 R85 G86 Y88 Y105 | Q40-H42 VanDerWaalsContact CG-O 3.31Å; Q40-H42 WeakPolarHBondContact CG-O 3.4Å; Q40-P82 PolarHBondContact NE2-O 3.4Å; Q40-R85 WeakPolarHBondContact O-CA 3.36Å; Q40-R85 WeakPolarHBondContact O-CB 3.39Å; Q40-G86 PolarHBondContact N-O 3.44Å; Q40-G86 PolarHBondContact O-N 3.16Å; Q40-G86 VanDerWaalsContact O-N 3.12Å; Q40-Y88 HydrophobicContact CB-CD2 3.94Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; Q40-Y105 PolarHBondContact OE1-OH 3.31Å |
| 41 | T | 86.4 | Confident | 91.5 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | trans | -91.7 | -33 | -179.5 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | R85 | T41-R85 VanDerWaalsContact O-CD 3.28Å; T41-R85 WeakPolarHBondContact O-CD 3.45Å; T41-R85 PolarHBondContact O-NE 2.89Å | ||
| 42 | H | 85.4 | Confident | 91.7 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -114.3 | 171.8 | 179.6 | -66.9 | -95.3 | 0 | 0 | 0 | 111.8 | Q40 S44 | Q40-H42 VanDerWaalsContact CG-O 3.31Å; Q40-H42 WeakPolarHBondContact CG-O 3.4Å; H42-S44 PolarHBondContact O-N 3.44Å; H42-S44 VanDerWaalsContact O-N 3.08Å |
| 43 | R | 87.1 | Confident | 91.6 | Very high | 182 Ų | 182 | 50.8 Ų | 50.8 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | trans | -63.6 | 111.6 | 167.2 | -172.1 | 178 | -171.5 | -173.6 | -1.8 | 107.3 | D83 | R43-D83 IonicContact NE-OD1 3.47Š| ||
| 44 | S | 90.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -108.2 | 152.6 | -171.2 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | R38 H42 E63 F81 | R38-S44 PolarHBondContact NH2-OG 3.04Å; H42-S44 PolarHBondContact O-N 3.44Å; H42-S44 VanDerWaalsContact O-N 3.08Å; S44-E63 CarbonylContact C-O 3.56Å; S44-E63 WeakPolarHBondContact CA-O 3.46Å; S44-E63 PolarHBondContact OG-O 3.42Å; S44-F81 WeakPolarHBondContact O-CB 3.35Å; S44-F81 PolarHBondContact O-N 2.97Å; S44-F81 WeakPolarHBondContact OG-CD2 3.36Å | ||
| 45 | S | 92 | Very high | 91.4 | Very high | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.8 | 174.6 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | H47 E63 A64 L65 R79 | S45-H47 PolarHBondContact OG-NE2 3.41Å; S45-E63 PolarHBondContact N-O 3.13Å; S45-A64 CarbonylContact O-C 3.58Å; S45-A64 WeakPolarHBondContact O-CA 3.41Å; S45-A64 WeakPolarHBondContact O-CB 3.48Å; S45-L65 PolarHBondContact O-N 2.83Å; S45-R79 CarbonylContact C-O 3.48Å; S45-R79 WeakPolarHBondContact CA-O 3.36Å |
| 46 | L | 93.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.3 | 170.4 | 178.7 | 55.6 | 0 | 0 | 0 | 108.6 | L65 V67 S78 R79 F81 L103 F110 L112 | L46-L65 WeakPolarHBondContact CA-O 3.38Å; L46-V67 HydrophobicContact CD1-CG2 4.31Å; L46-S78 CarbonylContact O-C 3.5Å; L46-S78 VanDerWaalsContact O-CA 3.22Å; L46-S78 WeakPolarHBondContact O-CA 3.34Å; L46-R79 PolarHBondContact N-O 3.43Å; L46-R79 PolarHBondContact O-N 3.43Å; L46-F81 HydrophobicContact CB-CE1 3.84Å; L46-F81 HydrophobicContact CB-CE2 4.11Å; L46-F81 HydrophobicContact CB-CZ 3.58Å; L46-F81 HydrophobicContact CD1-CZ 4.05Å; L46-F81 HydrophobicContact CD2-CE1 4.37Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L46-L103 HydrophobicContact CD1-CD2 3.61Å; L46-L103 HydrophobicContact CD2-CB 4.47Å; L46-L103 HydrophobicContact CD2-CD2 3.85Å; L46-L103 HydrophobicContact CG-CD2 4.34Å; L46-F110 HydrophobicContact CD2-CB 3.38Å; L46-F110 HydrophobicContact CD2-CD1 3.85Å; L46-F110 HydrophobicContact CD2-CD2 4.21Å; L46-F110 HydrophobicContact CD2-CG 3.56Å; L46-L112 HydrophobicContact CD1-CD2 4.36Å; L46-L112 HydrophobicContact CD2-CD2 3.67Å; L46-L112 HydrophobicContact CG-CD2 4.12Å |
| 47 | H | 94.5 | Very high | 91.2 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.2 | 171.4 | -70.3 | -54.7 | 0 | 0 | 0 | 110.2 | S45 A64 L65 T66 V67 S78 | S45-H47 PolarHBondContact OG-NE2 3.41Å; H47-A64 VanDerWaalsContact CD2-CB 3.46Å; H47-A64 WeakPolarHBondContact CD2-CB 3.49Å; H47-L65 PolarHBondContact N-O 2.89Å; H47-T66 HydrophobicContact CB-CG2 4.15Å; H47-T66 CarbonylContact O-C 3.41Å; H47-T66 WeakPolarHBondContact O-CA 3.47Å; H47-V67 PolarHBondContact O-N 3.09Å; H47-S78 WeakPolarHBondContact ND1-CB 3.3Å; H47-S78 PolarHBondContact ND1-OG 2.82Å |
| 48 | Y | 95 | Very high | 91.2 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.3 | 170.8 | -175.9 | -105.9 | 0 | 0 | 0 | 110.8 | V67 A69 F71 A73 A77 L101 L112 | Y48-V67 WeakPolarHBondContact CA-O 3.28Å; Y48-V67 HydrophobicContact CD2-CB 4.19Å; Y48-V67 HydrophobicContact CD2-CG1 4.19Å; Y48-V67 WeakPolarHBondContact CD2-O 3.41Å; Y48-V67 HydrophobicContact CE2-CG1 4.31Å; Y48-A69 HydrophobicContact CE2-CB 3.82Å; Y48-F71 WeakPolarHBondContact OH-CB 3.37Å; Y48-F71 PolarHBondContact OH-O 3.5Å; Y48-A73 HydrophobicContact CD1-CB 3.51Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.79Å; Y48-A77 PolarHBondContact N-O 3.38Å; Y48-L101 HydrophobicContact CE2-CD2 3.63Å; Y48-L112 HydrophobicContact CD2-CB 3.77Å; Y48-L112 HydrophobicContact CD2-CD1 3.86Å; Y48-L112 HydrophobicContact CD2-CD2 4.2Å; Y48-L112 HydrophobicContact CD2-CG 4.17Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.23Å; Y48-L112 HydrophobicContact CG-CB 4.1Å; Y48-L112 HydrophobicContact CG-CD2 4.29Å |
| 49 | K | 93.3 | Very high | 91.2 | Very high | 110 Ų | 110 | 56.7 Ų | 56.7 | 48% | 0.478 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 111 | -179.2 | -72.6 | 178.3 | 179.8 | 176.4 | 0 | 110 | T66 V67 H68 A69 | K49-T66 HydrophobicContact CD-CG2 4.01Å; K49-T66 HydrophobicContact CG-CG2 4.43Å; K49-V67 PolarHBondContact N-O 3.37Å; K49-H68 VanDerWaalsContact CB-CD2 3.45Å; K49-H68 WeakPolarHBondContact CB-CD2 3.48Å; K49-H68 WeakPolarHBondContact CD-NE2 3.1Å; K49-H68 VanDerWaalsContact O-CA 3.31Å; K49-H68 WeakPolarHBondContact O-CA 3.29Å; K49-A69 PolarHBondContact O-N 2.94Å |
| 50 | P | 92.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 51% | 0.506 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 139 | 175.1 | 28.8 | -33.7 | 0 | 0 | 0 | 110.1 | A69 F71 | P50-A69 WeakPolarHBondContact CA-O 3.44Å; P50-F71 WeakPolarHBondContact CB-O 3.43Å |
| 51 | T | 90.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | trans | -124.6 | 150.4 | 177.2 | 115.7 | 0 | 0 | 0 | 0 | 111 | D53 H68 A69 P70 | T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact OG1-N 3.1Å; T51-D53 PolarHBondContact OG1-O 3.31Å; T51-D53 VanDerWaalsContact OG1-O 3.06Å; T51-H68 HydrophobicContact CG2-CB 3.58Å; T51-A69 PolarHBondContact N-O 2.84Å; T51-P70 VanDerWaalsContact O-CA 3.3Å; T51-P70 WeakPolarHBondContact O-CA 3.22Å | ||
| 52 | P | 88.7 | Confident | 91.5 | Very high | 124 Ų | 124 | 57.5 Ų | 57.5 | 81% | 0.805 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -74.9 | -21.8 | 172.6 | 31.8 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 53 | D | 89.8 | Confident | 91.7 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -75.9 | 140 | -179 | -56.4 | -45.3 | 0 | 0 | 0 | 110.2 | T51 R55 | T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact OG1-N 3.1Å; T51-D53 PolarHBondContact OG1-O 3.31Å; T51-D53 VanDerWaalsContact OG1-O 3.06Å; D53-R55 HydrophobicContact CB-CG 3.73Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R55 IonicContact OD2-CZ 3.57Å; D53-R55 VanDerWaalsContact OD2-CZ 3.29Å; D53-R55 IonicContact OD2-NE 3.35Å; D53-R55 PolarHBondContact OD2-NE 3.5Å; D53-R55 IonicContact OD2-NH2 3.78Å; D53-R55 PolarHBondContact OD2-NH2 2.91Å |
| 54 | L | 90.7 | Very high | 91.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -74.9 | 59.3 | 178.5 | -59.7 | -178.1 | 0 | 0 | 0 | 111.3 | P70 L120 F161 S163 | L54-P70 HydrophobicContact CD2-CB 4.24Å; L54-L120 HydrophobicContact CD1-CD2 4.28Å; L54-L120 HydrophobicContact CD2-CD2 3.78Å; L54-L120 HydrophobicContact CG-CD2 4.48Å; L54-F161 HydrophobicContact CB-CB 4.44Å; L54-F161 VanDerWaalsContact CB-O 3.24Å; L54-F161 WeakPolarHBondContact CB-O 3.42Å; L54-F161 WeakPolarHBondContact O-CA 3.2Å; L54-F161 WeakPolarHBondContact O-CB 3.43Å; L54-F161 PolarHBondContact O-N 3.11Å; L54-S163 WeakPolarHBondContact CD1-OG 3.42Å |
| 55 | R | 92.4 | Very high | 92.1 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.9 | -179.6 | 56.2 | -177.6 | 163.1 | 176 | -4.4 | 111.8 | D53 P70 T158 F159 | D53-R55 HydrophobicContact CB-CG 3.73Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R55 IonicContact OD2-CZ 3.57Å; D53-R55 VanDerWaalsContact OD2-CZ 3.29Å; D53-R55 IonicContact OD2-NE 3.35Å; D53-R55 PolarHBondContact OD2-NE 3.5Å; D53-R55 IonicContact OD2-NH2 3.78Å; D53-R55 PolarHBondContact OD2-NH2 2.91Å; R55-P70 WeakPolarHBondContact O-CD 3.28Å; R55-T158 HydrophobicContact CB-CG2 4.2Å; R55-F159 CarbonylContact C-O 3.31Å; R55-F159 WeakPolarHBondContact CA-O 3.43Å; R55-F159 WeakPolarHBondContact CB-O 3.17Å |
| 56 | I | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.6 | 169.1 | -62.1 | 174.4 | 0 | 0 | 0 | 107.1 | F32 I58 H68 A69 L92 W94 F159 F161 | F32-I56 HydrophobicContact CD1-CD1 4.34Å; F32-I56 HydrophobicContact CE1-CD1 4.44Å; I56-I58 HydrophobicContact CG2-CD1 4.16Å; I56-H68 CarbonylContact C-O 3.51Å; I56-H68 VanDerWaalsContact CA-O 3.22Å; I56-H68 WeakPolarHBondContact CA-O 3.39Å; I56-A69 HydrophobicContact CG1-CB 4.09Å; I56-L92 HydrophobicContact CG2-CD2 3.85Å; I56-W94 HydrophobicContact CD1-CE3 4.28Å; I56-F159 PolarHBondContact N-O 3.42Å; I56-F159 PolarHBondContact O-N 3.37Å; I56-F161 HydrophobicContact CB-CE2 3.96Å; I56-F161 HydrophobicContact CD1-CE2 3.68Å; I56-F161 HydrophobicContact CD1-CZ 3.85Å; I56-F161 HydrophobicContact CG1-CD2 4.44Å; I56-F161 HydrophobicContact CG1-CE2 3.62Å; I56-F161 HydrophobicContact CG1-CZ 4.3Å |
| 57 | S | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.3 | 171.8 | 83.8 | 0 | 0 | 0 | 0 | 111.3 | E59 V67 H68 F157 T158 | S57-E59 PolarHBondContact OG-OE1 3.38Å; S57-V67 WeakPolarHBondContact O-CA 3.43Å; S57-H68 PolarHBondContact N-O 3.49Å; S57-H68 PolarHBondContact O-N 3.21Å; S57-H68 VanDerWaalsContact OG-CB 3.29Å; S57-H68 WeakPolarHBondContact OG-CB 3.46Å; S57-H68 PolarHBondContact OG-ND1 3Å; S57-F157 CarbonylContact C-O 3.05Å; S57-F157 VanDerWaalsContact CA-O 3.24Å; S57-F157 WeakPolarHBondContact CA-O 3.44Å; S57-T158 WeakPolarHBondContact CB-OG1 3.25Å |
| 58 | I | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117 | 173.7 | -57.1 | 103.7 | 0 | 0 | 0 | 107.1 | F34 I56 L65 F90 L92 L135 S156 F157 F159 | F34-I58 HydrophobicContact CD1-CD1 3.89Å; F34-I58 HydrophobicContact CD1-CG1 4.25Å; F34-I58 HydrophobicContact CD2-CD1 4.28Å; F34-I58 HydrophobicContact CE1-CB 4.36Å; F34-I58 HydrophobicContact CE1-CD1 4.11Å; F34-I58 HydrophobicContact CE1-CG1 4.27Å; F34-I58 HydrophobicContact CE1-CG2 4.17Å; F34-I58 HydrophobicContact CE2-CD1 4.43Å; F34-I58 HydrophobicContact CG-CD1 3.98Å; F34-I58 HydrophobicContact CZ-CD1 4.37Å; I56-I58 HydrophobicContact CG2-CD1 4.16Å; I58-L65 HydrophobicContact CG2-CD1 3.85Å; I58-F90 HydrophobicContact CG2-CE2 4.47Å; I58-F90 HydrophobicContact CG2-CZ 4.46Å; I58-L92 HydrophobicContact CD1-CD2 4.17Å; I58-L92 HydrophobicContact CG1-CD2 4.11Å; I58-L135 HydrophobicContact CG2-CD1 4.24Å; I58-S156 WeakPolarHBondContact O-CA 3.3Å; I58-F157 PolarHBondContact N-O 3.18Å; I58-F157 PolarHBondContact O-N 3.19Å; I58-F159 HydrophobicContact CD1-CD2 4.09Å; I58-F159 HydrophobicContact CD1-CE2 3.73Å |
| 59 | E | 93 | Very high | 92.3 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.7 | -177.9 | -72.5 | 167.5 | -151.6 | 0 | 0 | 110.6 | S57 T66 H68 | S57-E59 PolarHBondContact OG-OE1 3.38Å; E59-T66 PolarHBondContact N-O 3.19Å; E59-T66 PolarHBondContact O-N 3.36Å; E59-H68 IonicContact OE1-CE1 3.66Å; E59-H68 PolarHBondContact OE1-CE1 3.33Å; E59-H68 IonicContact OE1-ND1 2.85Å; E59-H68 PolarHBondContact OE1-ND1 2.99Å; E59-H68 IonicContact OE2-CE1 2.6Å |
| 60 | N | 93.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.7 | -176.5 | -166.5 | 53.8 | 0 | 0 | 0 | 111.3 | R38 L65 P133 L135 A155 | R38-N60 WeakPolarHBondContact CD-OD1 3.48Å; R38-N60 WeakPolarHBondContact CG-OD1 3.34Å; R38-N60 PolarHBondContact NE-OD1 3.38Å; R38-N60 PolarHBondContact NH1-OD1 2.76Å; N60-L65 HydrophobicContact CB-CD1 4.37Å; N60-P133 PolarHBondContact ND2-O 2.85Å; N60-L135 HydrophobicContact CB-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD2 3.85Å; N60-L135 HydrophobicContact CB-CG 3.71Å; N60-L135 VanDerWaalsContact CG-CD2 3.48Å; N60-A155 VanDerWaalsContact CB-O 3.28Å; N60-A155 WeakPolarHBondContact CB-O 3.37Å; N60-A155 PolarHBondContact N-O 2.93Å |
| 61 | S | 90.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | trans | -121.3 | 173.6 | 171.8 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | R38 E63 A64 | R38-S61 PolarHBondContact NH1-O 3.34Å; R38-S61 PolarHBondContact NH2-O 3.12Å; S61-E63 PolarHBondContact O-N 2.8Å; S61-A64 PolarHBondContact N-O 3.06Å; S61-A64 PolarHBondContact OG-N 3.27Å; S61-A64 PolarHBondContact OG-O 3.15Å | ||
| 62 | E | 88.4 | Confident | 92.3 | Very high | 108 Ų | 108 | 44 Ų | 44 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -66.3 | -36.6 | 177.9 | -63.1 | -175.6 | 164.5 | 0 | 0 | 113.2 | R38 P133 | R38-E62 VanDerWaalsContact NH2-C 3.34Å; R38-E62 PolarHBondContact NH2-O 3.5Å; E62-P133 HydrophobicContact CG-CG 4.14Å |
| 63 | E | 89.9 | Confident | 92.5 | Very high | 141 Ų | 141 | 39.4 Ų | 39.4 | 66% | 0.659 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -96.1 | -19 | -174.1 | -59.7 | -175.6 | 170 | 0 | 0 | 113.8 | S44 S45 S61 | S44-E63 CarbonylContact C-O 3.56Å; S44-E63 WeakPolarHBondContact CA-O 3.46Å; S44-E63 PolarHBondContact OG-O 3.42Å; S45-E63 PolarHBondContact N-O 3.13Å; S61-E63 PolarHBondContact O-N 2.8Å |
| 64 | A | 91.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 154 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R38 S45 H47 S61 | R38-A64 PolarHBondContact NH1-O 3.43Å; S45-A64 CarbonylContact O-C 3.58Å; S45-A64 WeakPolarHBondContact O-CA 3.41Å; S45-A64 WeakPolarHBondContact O-CB 3.48Å; H47-A64 VanDerWaalsContact CD2-CB 3.46Å; H47-A64 WeakPolarHBondContact CD2-CB 3.49Å; S61-A64 PolarHBondContact N-O 3.06Å; S61-A64 PolarHBondContact OG-N 3.27Å; S61-A64 PolarHBondContact OG-O 3.15Å |
| 65 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.9 | 163 | -175.8 | 69.4 | 0 | 0 | 0 | 107.4 | S45 L46 H47 I58 N60 F81 F90 L103 | S45-L65 PolarHBondContact O-N 2.83Å; L46-L65 WeakPolarHBondContact CA-O 3.38Å; H47-L65 PolarHBondContact N-O 2.89Å; I58-L65 HydrophobicContact CG2-CD1 3.85Å; N60-L65 HydrophobicContact CB-CD1 4.37Å; L65-F81 HydrophobicContact CB-CE2 3.72Å; L65-F81 HydrophobicContact CB-CZ 3.91Å; L65-F81 HydrophobicContact CD2-CZ 4.05Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.09Å; L65-F90 HydrophobicContact CD2-CD1 4.46Å; L65-F90 HydrophobicContact CD2-CD2 4.24Å; L65-F90 HydrophobicContact CD2-CE1 4.25Å; L65-F90 HydrophobicContact CD2-CE2 4.01Å; L65-F90 HydrophobicContact CD2-CG 4.44Å; L65-F90 HydrophobicContact CD2-CZ 4.01Å; L65-L103 HydrophobicContact CD2-CD1 4.44Å; L65-L103 HydrophobicContact CD2-CD2 3.79Å |
| 66 | T | 94 | Very high | 91.8 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.1 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | H47 K49 E59 H68 | H47-T66 HydrophobicContact CB-CG2 4.15Å; H47-T66 CarbonylContact O-C 3.41Å; H47-T66 WeakPolarHBondContact O-CA 3.47Å; K49-T66 HydrophobicContact CD-CG2 4.01Å; K49-T66 HydrophobicContact CG-CG2 4.43Å; E59-T66 PolarHBondContact N-O 3.19Å; E59-T66 PolarHBondContact O-N 3.36Å; T66-H68 VanDerWaalsContact CG2-CE1 3.45Å; T66-H68 WeakPolarHBondContact CG2-CE1 3.47Å |
| 67 | V | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.2 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | L46 H47 Y48 K49 S57 L92 L112 | L46-V67 HydrophobicContact CD1-CG2 4.31Å; H47-V67 PolarHBondContact O-N 3.09Å; Y48-V67 WeakPolarHBondContact CA-O 3.28Å; Y48-V67 HydrophobicContact CD2-CB 4.19Å; Y48-V67 HydrophobicContact CD2-CG1 4.19Å; Y48-V67 WeakPolarHBondContact CD2-O 3.41Å; Y48-V67 HydrophobicContact CE2-CG1 4.31Å; K49-V67 PolarHBondContact N-O 3.37Å; S57-V67 WeakPolarHBondContact O-CA 3.43Å; V67-L92 HydrophobicContact CG1-CD1 4.36Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; V67-L112 HydrophobicContact CB-CD1 4.15Å; V67-L112 HydrophobicContact CG1-CD1 3.97Å; V67-L112 HydrophobicContact CG2-CD1 4.32Å |
| 68 | H | 94.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 45 Ų | 45 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.7 | 171 | -59.8 | 95.4 | 0 | 0 | 0 | 109 | K49 T51 I56 S57 E59 T66 | K49-H68 VanDerWaalsContact CB-CD2 3.45Å; K49-H68 WeakPolarHBondContact CB-CD2 3.48Å; K49-H68 WeakPolarHBondContact CD-NE2 3.1Å; K49-H68 VanDerWaalsContact O-CA 3.31Å; K49-H68 WeakPolarHBondContact O-CA 3.29Å; T51-H68 HydrophobicContact CG2-CB 3.58Å; I56-H68 CarbonylContact C-O 3.51Å; I56-H68 VanDerWaalsContact CA-O 3.22Å; I56-H68 WeakPolarHBondContact CA-O 3.39Å; S57-H68 PolarHBondContact N-O 3.49Å; S57-H68 PolarHBondContact O-N 3.21Å; S57-H68 VanDerWaalsContact OG-CB 3.29Å; S57-H68 WeakPolarHBondContact OG-CB 3.46Å; S57-H68 PolarHBondContact OG-ND1 3Å; E59-H68 IonicContact OE1-CE1 3.66Å; E59-H68 PolarHBondContact OE1-CE1 3.33Å; E59-H68 IonicContact OE1-ND1 2.85Å; E59-H68 PolarHBondContact OE1-ND1 2.99Å; E59-H68 IonicContact OE2-CE1 2.6Å; T66-H68 VanDerWaalsContact CG2-CE1 3.45Å; T66-H68 WeakPolarHBondContact CG2-CE1 3.47Å |
| 69 | A | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y48 K49 P50 T51 I56 F71 L101 | Y48-A69 HydrophobicContact CE2-CB 3.82Å; K49-A69 PolarHBondContact O-N 2.94Å; P50-A69 WeakPolarHBondContact CA-O 3.44Å; T51-A69 PolarHBondContact N-O 2.84Å; I56-A69 HydrophobicContact CG1-CB 4.09Å; A69-F71 HydrophobicContact CB-CD2 4.1Å; A69-F71 PolarHBondContact O-N 3.18Å; A69-L101 HydrophobicContact CB-CD2 3.84Å |
| 70 | P | 92.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 20% | 0.195 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -77.5 | 15.2 | -175.9 | 31.5 | -35.6 | 0 | 0 | 0 | 115.2 | T51 L54 R55 L120 | T51-P70 VanDerWaalsContact O-CA 3.3Å; T51-P70 WeakPolarHBondContact O-CA 3.22Å; L54-P70 HydrophobicContact CD2-CB 4.24Å; R55-P70 WeakPolarHBondContact O-CD 3.28Å; P70-L120 HydrophobicContact CG-CD1 3.71Å |
| 71 | F | 93.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -110.8 | 150.4 | -173.3 | -44.3 | -60.2 | 0 | 0 | 0 | 111.6 | Y48 P50 A69 W94 L101 S113 A116 S118 L120 | Y48-F71 WeakPolarHBondContact OH-CB 3.37Å; Y48-F71 PolarHBondContact OH-O 3.5Å; P50-F71 WeakPolarHBondContact CB-O 3.43Å; A69-F71 HydrophobicContact CB-CD2 4.1Å; A69-F71 PolarHBondContact O-N 3.18Å; F71-W94 HydrophobicContact CE1-CZ2 4.44Å; F71-W94 HydrophobicContact CE2-CD2 4.24Å; F71-W94 HydrophobicContact CE2-CG 4.34Å; F71-W94 HydrophobicContact CZ-CD2 4.04Å; F71-W94 AromaticContact CZ-CE2 3.57Å; F71-W94 HydrophobicContact CZ-CH2 4.45Å; F71-W94 AromaticContact CZ-CZ2 3.81Å; F71-W94 HydrophobicContact CZ-CZ2 3.81Å; F71-W94 AromaticContact CZ-NE1 3.68Å; F71-L101 HydrophobicContact CD2-CB 4.33Å; F71-L101 HydrophobicContact CD2-CD2 3.99Å; F71-L101 HydrophobicContact CE2-CD2 4.48Å; F71-S113 WeakPolarHBondContact CB-OG 3.46Å; F71-A116 HydrophobicContact CB-CB 4.1Å; F71-A116 HydrophobicContact CD1-CB 3.89Å; F71-A116 HydrophobicContact CD2-CB 3.63Å; F71-A116 HydrophobicContact CE1-CB 4.19Å; F71-A116 HydrophobicContact CE2-CB 3.96Å; F71-A116 HydrophobicContact CG-CB 3.59Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; F71-S118 WeakPolarHBondContact CE1-OG 3.47Å; F71-L120 HydrophobicContact CE1-CD1 4Å; F71-L120 HydrophobicContact CZ-CD1 3.87Å |
| 72 | P | 92.3 | Very high | 90 | Very high | 68 Ų | 68 | 45 Ų | 45 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.4 | 175.6 | -23.3 | 33.8 | 0 | 0 | 0 | 112.5 | S113 K115 | P72-S113 WeakPolarHBondContact O-CB 3.34Å; P72-S113 PolarHBondContact O-OG 3.48Å; P72-K115 HydrophobicContact CG-CB 4.08Å; P72-K115 HydrophobicContact CG-CD 4.36Å |
| 73 | A | 91.3 | Very high | 89.6 | Confident | 26 Ų | 26 | 45 Ų | 45 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 132.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y48 A77 | Y48-A73 HydrophobicContact CD1-CB 3.51Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.79Å; A73-A77 HydrophobicContact CB-CB 4.28Å |
| 74 | A | 88.9 | Confident | 89 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 138.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P76 A77 L111 L112 | A74-P76 CarbonylContact O-C 3.51Å; A74-P76 VanDerWaalsContact O-C 3.25Å; A74-A77 PolarHBondContact O-N 2.89Å; A74-L111 HydrophobicContact CB-CD2 4.16Å; A74-L111 HydrophobicContact CB-CG 3.97Å; A74-L112 WeakPolarHBondContact CB-O 3.49Å; A74-L112 PolarHBondContact N-O 3.5Å |
| 75 | H | 85.9 | Confident | 88.6 | Confident | 179 Ų | 179 | 50.8 Ų | 50.8 | 83% | 0.829 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -84.3 | 136.6 | -179.3 | -66.3 | 70.7 | 0 | 0 | 0 | 110.6 | ||
| 76 | P | 84.5 | Confident | 88.4 | Confident | 80 Ų | 80 | 52 Ų | 52 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -79.8 | 143.7 | -7.9 | 31 | -32.6 | 0 | 0 | 0 | 112.1 | A74 S78 R79 | A74-P76 CarbonylContact O-C 3.51Å; A74-P76 VanDerWaalsContact O-C 3.25Å; P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.29Å; P76-R79 HydrophobicContact CG-CG 4Å; P76-R79 PolarHBondContact O-NE 2.94Å; P76-R79 PolarHBondContact O-NH2 2.96Å; P76-R79 VanDerWaalsContact O-NH2 3.14Å |
| 77 | A | 79.3 | Confident | 88.2 | Confident | 40 Ų | 40 | 56 Ų | 56 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72.3 | -20.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y48 A73 A74 | Y48-A77 PolarHBondContact N-O 3.38Å; A73-A77 HydrophobicContact CB-CB 4.28Å; A74-A77 PolarHBondContact O-N 2.89Å |
| 78 | S | 84.7 | Confident | 88.1 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.1 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | L46 H47 P76 | L46-S78 CarbonylContact O-C 3.5Å; L46-S78 VanDerWaalsContact O-CA 3.22Å; L46-S78 WeakPolarHBondContact O-CA 3.34Å; H47-S78 WeakPolarHBondContact ND1-CB 3.3Å; H47-S78 PolarHBondContact ND1-OG 2.82Å; P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.29Å |
| 79 | R | 90.5 | Very high | 88.1 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.9 | -177.1 | -63.2 | 175.3 | -166 | 159.9 | 16 | 110.3 | S45 L46 P76 F110 L111 | S45-R79 CarbonylContact C-O 3.48Å; S45-R79 WeakPolarHBondContact CA-O 3.36Å; L46-R79 PolarHBondContact N-O 3.43Å; L46-R79 PolarHBondContact O-N 3.43Å; P76-R79 HydrophobicContact CG-CG 4Å; P76-R79 PolarHBondContact O-NE 2.94Å; P76-R79 PolarHBondContact O-NH2 2.96Å; P76-R79 VanDerWaalsContact O-NH2 3.14Å; R79-F110 HydrophobicContact CB-CD1 4.02Å; R79-F110 HydrophobicContact CB-CE1 3.92Å; R79-L111 VanDerWaalsContact CZ-O 3.32Å; R79-L111 PolarHBondContact NH1-O 3.34Å; R79-L111 PolarHBondContact NH2-O 2.95Å |
| 80 | S | 89.2 | Confident | 88.1 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137.7 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 81 | F | 90.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 166.2 | 170.8 | -73.2 | -53.2 | 0 | 0 | 0 | 111.8 | S44 L46 L65 L103 Y105 F110 | S44-F81 WeakPolarHBondContact O-CB 3.35Å; S44-F81 PolarHBondContact O-N 2.97Å; S44-F81 WeakPolarHBondContact OG-CD2 3.36Å; L46-F81 HydrophobicContact CB-CE1 3.84Å; L46-F81 HydrophobicContact CB-CE2 4.11Å; L46-F81 HydrophobicContact CB-CZ 3.58Å; L46-F81 HydrophobicContact CD1-CZ 4.05Å; L46-F81 HydrophobicContact CD2-CE1 4.37Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L65-F81 HydrophobicContact CB-CE2 3.72Å; L65-F81 HydrophobicContact CB-CZ 3.91Å; L65-F81 HydrophobicContact CD2-CZ 4.05Å; F81-L103 HydrophobicContact CE1-CD2 4.15Å; F81-L103 HydrophobicContact CZ-CD2 4.14Å; F81-Y105 HydrophobicContact CB-CE1 4.18Å; F81-Y105 AromaticContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD2 4.06Å; F81-Y105 AromaticContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE2 4.34Å; F81-Y105 AromaticContact CD1-CG 3.69Å; F81-Y105 HydrophobicContact CD1-CG 3.69Å; F81-Y105 AromaticContact CE1-CD1 3.93Å; F81-Y105 HydrophobicContact CE1-CD1 3.93Å; F81-Y105 AromaticContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CE1 4.34Å; F81-Y105 HydrophobicContact CE1-CE2 4.05Å; F81-Y105 AromaticContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE2-CD2 4.5Å; F81-Y105 HydrophobicContact CE2-CE2 4.23Å; F81-Y105 HydrophobicContact CG-CD1 4.17Å; F81-Y105 AromaticContact CG-CE1 3.95Å; F81-Y105 HydrophobicContact CG-CE1 3.95Å; F81-Y105 AromaticContact CZ-CD2 3.8Å; F81-Y105 HydrophobicContact CZ-CD2 3.8Å; F81-Y105 AromaticContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CG 4.23Å; F81-F110 AromaticContact CD1-CE2 3.85Å; F81-F110 HydrophobicContact CD1-CE2 3.85Å; F81-F110 AromaticContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CE1-CD2 4.34Å; F81-F110 AromaticContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CZ 4.26Å |
| 82 | P | 83.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 145.5 | 172.6 | -21.1 | 32.3 | 0 | 0 | 0 | 112.8 | Q40 R108 | Q40-P82 PolarHBondContact NE2-O 3.4Å; P82-R108 HydrophobicContact CG-CG 4.27Å |
| 83 | D | 79.7 | Confident | 88.4 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -79.9 | -13.9 | -174.7 | -65.3 | -53 | 0 | 0 | 0 | 117.9 | R43 R85 | R43-D83 IonicContact NE-OD1 3.47Å; D83-R85 PolarHBondContact O-N 2.84Å |
| 84 | P | 78.9 | Confident | 88.5 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | trans | -62.4 | 126.9 | 169.4 | -6.2 | 16.7 | 0 | 0 | 0 | 109.1 | Y88 | P84-Y88 WeakPolarHBondContact CB-OH 3.25Å; P84-Y88 WeakPolarHBondContact CD-OH 3.48Å; P84-Y88 WeakPolarHBondContact CG-OH 3.46Å; P84-Y88 WeakPolarHBondContact O-CE2 3.49Å; P84-Y88 VanDerWaalsContact O-CZ 3.31Å; P84-Y88 PolarHBondContact O-OH 3.16Å | ||
| 85 | R | 82.4 | Confident | 88.6 | Confident | 184 Ų | 184 | 57.3 Ų | 57.3 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | trans | -78.7 | 146 | 172.3 | -64.2 | 175.9 | -173 | -173.8 | 4.5 | 109.6 | Q40 T41 D83 | Q40-R85 WeakPolarHBondContact O-CA 3.36Å; Q40-R85 WeakPolarHBondContact O-CB 3.39Å; T41-R85 VanDerWaalsContact O-CD 3.28Å; T41-R85 WeakPolarHBondContact O-CD 3.45Å; T41-R85 PolarHBondContact O-NE 2.89Å; D83-R85 PolarHBondContact O-N 2.84Å | ||
| 86 | G | 88.5 | Confident | 88.7 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -168.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q40 Y88 | Q40-G86 PolarHBondContact N-O 3.44Å; Q40-G86 PolarHBondContact O-N 3.16Å; Q40-G86 VanDerWaalsContact O-N 3.12Å; G86-Y88 WeakPolarHBondContact O-CD2 3.34Å |
| 87 | L | 91.2 | Very high | 88.6 | Confident | 100 Ų | 100 | 48.4 Ų | 48.4 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.9 | 179.7 | -169.7 | 71.3 | 0 | 0 | 0 | 110.4 | Q37 N39 | Q37-L87 HydrophobicContact CB-CD1 4.13Å; Q37-L87 HydrophobicContact CB-CG 4.46Å; N39-L87 HydrophobicContact CB-CD1 4.49Å |
| 88 | Y | 92.5 | Very high | 89 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131 | 174.5 | -76 | -92.4 | 0 | 0 | 0 | 110.5 | Q37 R38 Q40 P84 G86 Y105 | Q37-Y88 CarbonylContact C-O 3.58Å; Q37-Y88 VanDerWaalsContact CA-O 3.32Å; Q37-Y88 WeakPolarHBondContact CA-O 3.32Å; R38-Y88 PolarHBondContact N-O 3.21Å; R38-Y88 PolarHBondContact O-N 3.31Å; Q40-Y88 HydrophobicContact CB-CD2 3.94Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; P84-Y88 WeakPolarHBondContact CB-OH 3.25Å; P84-Y88 WeakPolarHBondContact CD-OH 3.48Å; P84-Y88 WeakPolarHBondContact CG-OH 3.46Å; P84-Y88 WeakPolarHBondContact O-CE2 3.49Å; P84-Y88 VanDerWaalsContact O-CZ 3.31Å; P84-Y88 PolarHBondContact O-OH 3.16Å; G86-Y88 WeakPolarHBondContact O-CD2 3.34Å; Y88-Y105 AromaticContact CD1-CD1 3.81Å; Y88-Y105 HydrophobicContact CD1-CD1 3.81Å; Y88-Y105 AromaticContact CD1-CE1 3.42Å; Y88-Y105 HydrophobicContact CD1-CE1 3.42Å; Y88-Y105 VanDerWaalsContact CD1-CE1 3.42Å; Y88-Y105 AromaticContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CE1-CD1 4.46Å; Y88-Y105 HydrophobicContact CE1-CE1 4.06Å; Y88-Y105 HydrophobicContact CE2-CE1 4.43Å; Y88-Y105 HydrophobicContact CG-CD1 4.09Å; Y88-Y105 AromaticContact CG-CE1 3.3Å; Y88-Y105 HydrophobicContact CG-CE1 3.3Å; Y88-Y105 AromaticContact CG-CZ 3.64Å |
| 89 | H | 94.4 | Very high | 89.3 | Confident | 88 Ų | 88 | 47 Ų | 47 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 135.2 | 163.3 | -176.7 | 59.7 | 0 | 0 | 0 | 109.3 | S36 Q37 C91 G106 | S36-H89 PolarHBondContact O-ND1 3.34Å; S36-H89 VanDerWaalsContact O-ND1 3.12Å; Q37-H89 HydrophobicContact CG-CB 4.34Å; H89-C91 PolarHBondContact NE2-SG 3.46Å; H89-C91 VanDerWaalsContact NE2-SG 3.41Å; H89-G106 PolarHBondContact O-N 3.4Å |
| 90 | F | 95.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152 | 173.4 | 73 | -94.9 | 0 | 0 | 0 | 111.7 | F34 C35 S36 R38 I58 L65 L103 L104 Y105 L135 | F34-F90 HydrophobicContact CD1-CE2 4.13Å; F34-F90 AromaticContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CZ 4.1Å; C35-F90 CarbonylContact C-O 3.5Å; C35-F90 WeakPolarHBondContact CA-O 3.23Å; S36-F90 PolarHBondContact N-O 3.24Å; S36-F90 PolarHBondContact O-N 2.93Å; S36-F90 VanDerWaalsContact O-O 3.1Å; R38-F90 HydrophobicContact CB-CD1 4.35Å; R38-F90 HydrophobicContact CB-CE1 4Å; I58-F90 HydrophobicContact CG2-CE2 4.47Å; I58-F90 HydrophobicContact CG2-CZ 4.46Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.09Å; L65-F90 HydrophobicContact CD2-CD1 4.46Å; L65-F90 HydrophobicContact CD2-CD2 4.24Å; L65-F90 HydrophobicContact CD2-CE1 4.25Å; L65-F90 HydrophobicContact CD2-CE2 4.01Å; L65-F90 HydrophobicContact CD2-CG 4.44Å; L65-F90 HydrophobicContact CD2-CZ 4.01Å; F90-L103 HydrophobicContact CD2-CD1 3.59Å; F90-L103 HydrophobicContact CE2-CD1 4.18Å; F90-L103 HydrophobicContact CG-CD1 4.44Å; F90-L104 CarbonylContact C-O 3.46Å; F90-L104 WeakPolarHBondContact CA-O 3.47Å; F90-L104 WeakPolarHBondContact CB-O 3.19Å; F90-Y105 HydrophobicContact CB-CD2 3.49Å; F90-Y105 VanDerWaalsContact CB-CD2 3.49Å; F90-Y105 HydrophobicContact CB-CE2 4.25Å; F90-Y105 HydrophobicContact CB-CG 4.14Å; F90-Y105 HydrophobicContact CD1-CD2 4.13Å; F90-Y105 HydrophobicContact CD1-CE2 4.1Å; F90-Y105 HydrophobicContact CG-CD2 4.02Å; F90-Y105 HydrophobicContact CG-CE2 4.45Å; F90-L135 HydrophobicContact CE1-CD2 3.64Å; F90-L135 HydrophobicContact CZ-CD1 4.13Å; F90-L135 HydrophobicContact CZ-CD2 3.8Å |
| 91 | C | 95.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | F34 C35 H89 Y93 L103 L104 | F34-C91 CarbonylContact O-C 3.5Å; F34-C91 VanDerWaalsContact O-CA 3.22Å; F34-C91 WeakPolarHBondContact O-CA 3.36Å; C35-C91 HydrophobicContact CB-CB 4.17Å; C35-C91 WeakPolarHBondContact CB-SG 3.29Å; C35-C91 WeakPolarHBondContact SG-CB 3.27Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 2.99Å; H89-C91 PolarHBondContact NE2-SG 3.46Å; H89-C91 VanDerWaalsContact NE2-SG 3.41Å; C91-Y93 HydrophobicContact CB-CD2 4.05Å; C91-Y93 HydrophobicContact CB-CE1 4.31Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 VanDerWaalsContact CB-CZ 3.42Å; C91-Y93 WeakPolarHBondContact CB-OH 3.34Å; C91-Y93 WeakPolarHBondContact O-CD2 3.39Å; C91-L103 CarbonylContact O-C 3.56Å; C91-L103 WeakPolarHBondContact O-CA 3.32Å; C91-L104 PolarHBondContact N-O 3.49Å; C91-L104 PolarHBondContact O-N 3.38Å |
| 92 | L | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.9 | 168.3 | -179.8 | 69.2 | 0 | 0 | 0 | 107.9 | F32 R33 F34 I56 I58 V67 L101 L103 L112 | F32-L92 HydrophobicContact CE1-CD2 4.37Å; R33-L92 CarbonylContact C-O 3.54Å; R33-L92 VanDerWaalsContact CA-O 3.28Å; R33-L92 WeakPolarHBondContact CA-O 3.48Å; F34-L92 HydrophobicContact CB-CB 4.33Å; F34-L92 PolarHBondContact N-O 3.43Å; F34-L92 PolarHBondContact O-N 3.11Å; I56-L92 HydrophobicContact CG2-CD2 3.85Å; I58-L92 HydrophobicContact CD1-CD2 4.17Å; I58-L92 HydrophobicContact CG1-CD2 4.11Å; V67-L92 HydrophobicContact CG1-CD1 4.36Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; L92-L101 HydrophobicContact CD1-CD1 3.85Å; L92-L101 HydrophobicContact CD1-CG 4.09Å; L92-L101 HydrophobicContact CG-CD1 4.14Å; L92-L103 HydrophobicContact CB-CD1 3.88Å; L92-L103 HydrophobicContact CD1-CB 4.35Å; L92-L103 HydrophobicContact CD1-CD1 4.15Å; L92-L112 HydrophobicContact CD1-CD1 3.57Å |
| 93 | Y | 94.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.7 | 176.5 | -52.5 | -97 | 0 | 0 | 0 | 110.4 | E30 R33 C91 L101 H102 L104 | E30-Y93 HydrophobicContact CG-CD1 4.13Å; E30-Y93 WeakPolarHBondContact OE1-CD1 3.49Å; E30-Y93 VanDerWaalsContact OE2-CD1 3.28Å; E30-Y93 WeakPolarHBondContact OE2-CD1 3.32Å; E30-Y93 WeakPolarHBondContact OE2-CE1 3.4Å; R33-Y93 HydrophobicContact CB-CD1 3.93Å; R33-Y93 HydrophobicContact CB-CE1 4.33Å; R33-Y93 HydrophobicContact CG-CD1 3.71Å; R33-Y93 HydrophobicContact CG-CE1 3.66Å; C91-Y93 HydrophobicContact CB-CD2 4.05Å; C91-Y93 HydrophobicContact CB-CE1 4.31Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 VanDerWaalsContact CB-CZ 3.42Å; C91-Y93 WeakPolarHBondContact CB-OH 3.34Å; C91-Y93 WeakPolarHBondContact O-CD2 3.39Å; Y93-L101 WeakPolarHBondContact O-CA 3.41Å; Y93-H102 WeakPolarHBondContact CB-NE2 3.24Å; Y93-H102 AromaticContact CD2-NE2 3.69Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 3.5Å; Y93-H102 PolarHBondContact O-N 2.95Å; Y93-L104 HydrophobicContact CD2-CB 4.46Å; Y93-L104 HydrophobicContact CE2-CB 3.89Å |
| 94 | W | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.1 | 171.4 | 175.2 | 28.4 | 0 | 0 | 0 | 109.1 | D31 F32 I56 F71 L101 A116 S118 L120 F161 | D31-W94 HydrophobicContact CB-CD2 4.44Å; D31-W94 HydrophobicContact CB-CE3 4.46Å; D31-W94 PolarHBondContact N-O 2.81Å; F32-W94 HydrophobicContact CB-CB 4.13Å; F32-W94 HydrophobicContact CB-CD2 4.49Å; F32-W94 HydrophobicContact CB-CE3 3.69Å; F32-W94 HydrophobicContact CB-CZ3 4.47Å; F32-W94 PolarHBondContact N-O 3.32Å; F32-W94 PolarHBondContact O-N 2.96Å; I56-W94 HydrophobicContact CD1-CE3 4.28Å; F71-W94 HydrophobicContact CE1-CZ2 4.44Å; F71-W94 HydrophobicContact CE2-CD2 4.24Å; F71-W94 HydrophobicContact CE2-CG 4.34Å; F71-W94 HydrophobicContact CZ-CD2 4.04Å; F71-W94 AromaticContact CZ-CE2 3.57Å; F71-W94 HydrophobicContact CZ-CH2 4.45Å; F71-W94 AromaticContact CZ-CZ2 3.81Å; F71-W94 HydrophobicContact CZ-CZ2 3.81Å; F71-W94 AromaticContact CZ-NE1 3.68Å; W94-L101 HydrophobicContact CB-CD1 3.7Å; W94-L101 HydrophobicContact CG-CD1 4.29Å; W94-A116 PolarHBondContact NE1-O 3.16Å; W94-S118 VanDerWaalsContact CZ2-O 3.29Å; W94-S118 WeakPolarHBondContact CZ2-O 3.41Å; W94-L120 HydrophobicContact CH2-CB 3.6Å; W94-L120 HydrophobicContact CH2-CD1 4.04Å; W94-L120 HydrophobicContact CH2-CG 3.95Å; W94-L120 HydrophobicContact CZ2-CD1 4.45Å; W94-L120 HydrophobicContact CZ2-CG 4.44Å; W94-L120 HydrophobicContact CZ3-CB 4.19Å; W94-F161 HydrophobicContact CZ3-CD1 4.43Å; W94-F161 HydrophobicContact CZ3-CE1 4.03Å; W94-F161 HydrophobicContact CZ3-CZ 4.44Å |
| 95 | N | 90.5 | Very high | 91.7 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.4 | 175 | -178.8 | -22.9 | 0 | 0 | 0 | 109.1 | R29 H97 A98 G99 R100 | R29-N95 PolarHBondContact O-ND2 2.87Å; R29-N95 PolarHBondContact O-OD1 3.26Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.48Å; N95-H97 WeakPolarHBondContact OD1-CB 3.3Å; N95-H97 PolarHBondContact OD1-N 2.96Å; N95-A98 HydrophobicContact CB-CB 4.15Å; N95-A98 PolarHBondContact OD1-N 2.91Å; N95-G99 PolarHBondContact O-N 3.4Å; N95-G99 VanDerWaalsContact O-N 3.07Å; N95-R100 PolarHBondContact N-O 3.12Å; N95-R100 PolarHBondContact O-N 2.96Å |
| 96 | R | 87.6 | Confident | 92.1 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -38.9 | -179.7 | -179.2 | -179.1 | 58.3 | 109.7 | 5.5 | 112.3 | D31 G99 S117 E230 | D31-R96 IonicContact OD1-NE 2.79Å; D31-R96 WeakPolarHBondContact OD2-CB 3.24Å; D31-R96 PolarHBondContact OD2-N 3.37Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-S117 VanDerWaalsContact CG-O 3.29Å; R96-S117 WeakPolarHBondContact CG-O 3.24Å; R96-E230 IonicContact CZ-OE1 3.26Å; R96-E230 IonicContact CZ-OE2 2.94Å; R96-E230 IonicContact NH1-OE2 2.77Å; R96-E230 PolarHBondContact NH1-OE2 3.41Å; R96-E230 VanDerWaalsContact NH2-CD 3.3Å; R96-E230 IonicContact NH2-OE1 3.42Å; R96-E230 PolarHBondContact NH2-OE1 3.36Å; R96-E230 IonicContact NH2-OE2 3.66Å; R96-E230 PolarHBondContact NH2-OE2 3.43Å |
| 97 | H | 83.5 | Confident | 92.1 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -38.6 | -176.1 | -56.2 | 84.1 | 0 | 0 | 0 | 111.5 | R29 D31 N95 D231 | R29-H97 PolarHBondContact NH1-NE2 3.05Å; D31-H97 IonicContact OD2-ND1 2.63Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.48Å; N95-H97 WeakPolarHBondContact OD1-CB 3.3Å; N95-H97 PolarHBondContact OD1-N 2.96Å; H97-D231 IonicContact CD2-OD1 3.46Å; H97-D231 PolarHBondContact CD2-OD1 2.92Å; H97-D231 IonicContact CD2-OD2 3.59Å; H97-D231 IonicContact NE2-OD1 2.92Å |
| 98 | A | 87 | Confident | 92.1 | Very high | 65 Ų | 65 | 43 Ų | 43 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | N95 R100 | N95-A98 HydrophobicContact CB-CB 4.15Å; N95-A98 PolarHBondContact OD1-N 2.91Å; A98-R100 HydrophobicContact CB-CB 4.08Å; A98-R100 PolarHBondContact O-N 3.23Å |
| 99 | G | 89.8 | Confident | 92 | Very high | 9 Ų | 9 | 45 Ų | 45 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 24.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N95 R96 D114 K115 A116 | N95-G99 PolarHBondContact O-N 3.4Å; N95-G99 VanDerWaalsContact O-N 3.07Å; R96-G99 PolarHBondContact O-N 2.99Å; G99-D114 CarbonylContact O-C 3.56Å; G99-D114 WeakPolarHBondContact O-CA 3.43Å; G99-K115 PolarHBondContact O-N 3.14Å; G99-A116 PolarHBondContact O-N 3.43Å |
| 100 | R | 92.4 | Very high | 92 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.3 | -165.9 | -171.3 | 170.4 | 176.6 | 175.7 | -3.8 | 111.9 | N95 A98 H102 D109 L111 S113 | N95-R100 PolarHBondContact N-O 3.12Å; N95-R100 PolarHBondContact O-N 2.96Å; A98-R100 HydrophobicContact CB-CB 4.08Å; A98-R100 PolarHBondContact O-N 3.23Å; R100-H102 HydrophobicContact CG-CB 4.34Å; R100-D109 IonicContact CZ-OD2 3.84Å; R100-D109 IonicContact NH2-OD1 2.71Å; R100-D109 PolarHBondContact NH2-OD1 3.16Å; R100-D109 VanDerWaalsContact NH2-OD1 3.09Å; R100-D109 IonicContact NH2-OD2 2.75Å; R100-D109 PolarHBondContact NH2-OD2 3.37Å; R100-L111 HydrophobicContact CG-CD1 3.54Å; R100-S113 WeakPolarHBondContact CA-O 3.23Å |
| 101 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.6 | 162 | -177.3 | 75 | 0 | 0 | 0 | 107.6 | Y48 A69 F71 L92 Y93 W94 L112 S113 A116 | Y48-L101 HydrophobicContact CE2-CD2 3.63Å; A69-L101 HydrophobicContact CB-CD2 3.84Å; F71-L101 HydrophobicContact CD2-CB 4.33Å; F71-L101 HydrophobicContact CD2-CD2 3.99Å; F71-L101 HydrophobicContact CE2-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD1 3.85Å; L92-L101 HydrophobicContact CD1-CG 4.09Å; L92-L101 HydrophobicContact CG-CD1 4.14Å; Y93-L101 WeakPolarHBondContact O-CA 3.41Å; W94-L101 HydrophobicContact CB-CD1 3.7Å; W94-L101 HydrophobicContact CG-CD1 4.29Å; L101-L112 HydrophobicContact CB-CB 4.46Å; L101-L112 HydrophobicContact CD2-CB 4.08Å; L101-L112 HydrophobicContact CD2-CD1 4.05Å; L101-L112 HydrophobicContact CG-CB 4.19Å; L101-L112 HydrophobicContact CG-CD1 4.21Å; L101-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 WeakPolarHBondContact O-CB 3.13Å; L101-L112 PolarHBondContact O-N 3.31Å; L101-S113 PolarHBondContact N-O 3.43Å; L101-S113 PolarHBondContact O-N 3.45Å; L101-A116 HydrophobicContact CB-CB 4.08Å |
| 102 | H | 94.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 18% | 0.181 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.3 | 178.4 | 72.2 | 156.7 | 0 | 0 | 0 | 112.6 | Y93 R100 D109 F110 | Y93-H102 WeakPolarHBondContact CB-NE2 3.24Å; Y93-H102 AromaticContact CD2-NE2 3.69Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 3.5Å; Y93-H102 PolarHBondContact O-N 2.95Å; R100-H102 HydrophobicContact CG-CB 4.34Å; H102-D109 WeakPolarHBondContact CB-OD1 3.48Å; H102-D109 IonicContact CE1-OD2 2.71Å; H102-D109 IonicContact CG-OD1 3.71Å; H102-D109 IonicContact ND1-OD1 2.77Å; H102-D109 PolarHBondContact ND1-OD1 2.9Å; H102-D109 IonicContact ND1-OD2 3.42Å; H102-D109 PolarHBondContact ND1-OD2 3.42Å; H102-F110 CarbonylContact C-O 3.58Å; H102-F110 VanDerWaalsContact CA-O 3.25Å; H102-F110 WeakPolarHBondContact CA-O 3.06Å; H102-F110 WeakPolarHBondContact CB-O 3.35Å |
| 103 | L | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.7 | 178.5 | -175.6 | 84.7 | 0 | 0 | 0 | 108.7 | L46 L65 F81 F90 C91 L92 F110 L112 | L46-L103 HydrophobicContact CD1-CD2 3.61Å; L46-L103 HydrophobicContact CD2-CB 4.47Å; L46-L103 HydrophobicContact CD2-CD2 3.85Å; L46-L103 HydrophobicContact CG-CD2 4.34Å; L65-L103 HydrophobicContact CD2-CD1 4.44Å; L65-L103 HydrophobicContact CD2-CD2 3.79Å; F81-L103 HydrophobicContact CE1-CD2 4.15Å; F81-L103 HydrophobicContact CZ-CD2 4.14Å; F90-L103 HydrophobicContact CD2-CD1 3.59Å; F90-L103 HydrophobicContact CE2-CD1 4.18Å; F90-L103 HydrophobicContact CG-CD1 4.44Å; C91-L103 CarbonylContact O-C 3.56Å; C91-L103 WeakPolarHBondContact O-CA 3.32Å; L92-L103 HydrophobicContact CB-CD1 3.88Å; L92-L103 HydrophobicContact CD1-CB 4.35Å; L92-L103 HydrophobicContact CD1-CD1 4.15Å; L103-F110 HydrophobicContact CB-CB 4.35Å; L103-F110 PolarHBondContact N-O 2.78Å; L103-F110 WeakPolarHBondContact O-CB 3.38Å; L103-F110 PolarHBondContact O-N 3Å; L103-L112 HydrophobicContact CB-CD1 4.22Å; L103-L112 HydrophobicContact CB-CG 4.43Å |
| 104 | L | 94.7 | Very high | 91.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.9 | 169.4 | -167.3 | 128.7 | 0 | 0 | 0 | 108.3 | F90 C91 Y93 G106 R108 | F90-L104 CarbonylContact C-O 3.46Å; F90-L104 WeakPolarHBondContact CA-O 3.47Å; F90-L104 WeakPolarHBondContact CB-O 3.19Å; C91-L104 PolarHBondContact N-O 3.49Å; C91-L104 PolarHBondContact O-N 3.38Å; Y93-L104 HydrophobicContact CD2-CB 4.46Å; Y93-L104 HydrophobicContact CE2-CB 3.89Å; L104-G106 WeakPolarHBondContact CD2-O 3.5Å; L104-R108 CarbonylContact C-O 3.56Å; L104-R108 WeakPolarHBondContact CA-O 3.3Å |
| 105 | Y | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.1 | -179.8 | -170.5 | -85 | 0 | 0 | 0 | 109.5 | Q40 F81 Y88 F90 K107 R108 | Q40-Y105 PolarHBondContact OE1-OH 3.31Å; F81-Y105 HydrophobicContact CB-CE1 4.18Å; F81-Y105 AromaticContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD2 4.06Å; F81-Y105 AromaticContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE2 4.34Å; F81-Y105 AromaticContact CD1-CG 3.69Å; F81-Y105 HydrophobicContact CD1-CG 3.69Å; F81-Y105 AromaticContact CE1-CD1 3.93Å; F81-Y105 HydrophobicContact CE1-CD1 3.93Å; F81-Y105 AromaticContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CE1 4.34Å; F81-Y105 HydrophobicContact CE1-CE2 4.05Å; F81-Y105 AromaticContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE2-CD2 4.5Å; F81-Y105 HydrophobicContact CE2-CE2 4.23Å; F81-Y105 HydrophobicContact CG-CD1 4.17Å; F81-Y105 AromaticContact CG-CE1 3.95Å; F81-Y105 HydrophobicContact CG-CE1 3.95Å; F81-Y105 AromaticContact CZ-CD2 3.8Å; F81-Y105 HydrophobicContact CZ-CD2 3.8Å; F81-Y105 AromaticContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CG 4.23Å; Y88-Y105 AromaticContact CD1-CD1 3.81Å; Y88-Y105 HydrophobicContact CD1-CD1 3.81Å; Y88-Y105 AromaticContact CD1-CE1 3.42Å; Y88-Y105 HydrophobicContact CD1-CE1 3.42Å; Y88-Y105 VanDerWaalsContact CD1-CE1 3.42Å; Y88-Y105 AromaticContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CE1-CD1 4.46Å; Y88-Y105 HydrophobicContact CE1-CE1 4.06Å; Y88-Y105 HydrophobicContact CE2-CE1 4.43Å; Y88-Y105 HydrophobicContact CG-CD1 4.09Å; Y88-Y105 AromaticContact CG-CE1 3.3Å; Y88-Y105 HydrophobicContact CG-CE1 3.3Å; Y88-Y105 AromaticContact CG-CZ 3.64Å; F90-Y105 HydrophobicContact CB-CD2 3.49Å; F90-Y105 VanDerWaalsContact CB-CD2 3.49Å; F90-Y105 HydrophobicContact CB-CE2 4.25Å; F90-Y105 HydrophobicContact CB-CG 4.14Å; F90-Y105 HydrophobicContact CD1-CD2 4.13Å; F90-Y105 HydrophobicContact CD1-CE2 4.1Å; F90-Y105 HydrophobicContact CG-CD2 4.02Å; F90-Y105 HydrophobicContact CG-CE2 4.45Å; Y105-K107 PolarHBondContact O-N 3.45Å; Y105-K107 VanDerWaalsContact O-N 3.08Å; Y105-R108 PolarHBondContact N-O 2.99Å; Y105-R108 PolarHBondContact O-N 3.02Å |
| 106 | G | 89.6 | Confident | 91.4 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 32% | 0.32 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -108.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H89 L104 | H89-G106 PolarHBondContact O-N 3.4Å; L104-G106 WeakPolarHBondContact CD2-O 3.5Å |
| 107 | K | 88.8 | Confident | 91.4 | Very high | 216 Ų | 216 | 54.5 Ų | 54.5 | 94% | 0.939 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -0.7 | 177.5 | -64.2 | -176.3 | 179.4 | -177.6 | 0 | 113.9 | Y105 | Y105-K107 PolarHBondContact O-N 3.45Å; Y105-K107 VanDerWaalsContact O-N 3.08Å |
| 108 | R | 90.5 | Very high | 91.5 | Very high | 130 Ų | 130 | 54.1 Ų | 54.1 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.9 | -176.8 | -68.1 | -165.1 | -178.3 | 171.3 | -1.2 | 110.8 | P82 L104 Y105 F110 | P82-R108 HydrophobicContact CG-CG 4.27Å; L104-R108 CarbonylContact C-O 3.56Å; L104-R108 WeakPolarHBondContact CA-O 3.3Å; Y105-R108 PolarHBondContact N-O 2.99Å; Y105-R108 PolarHBondContact O-N 3.02Å; R108-F110 HydrophobicContact CB-CD2 4.29Å; R108-F110 HydrophobicContact CB-CE2 3.59Å; R108-F110 HydrophobicContact CB-CZ 4.04Å |
| 109 | D | 92.2 | Very high | 91.3 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.6 | 173.3 | 179.8 | -12.1 | 0 | 0 | 0 | 109.7 | R100 H102 | R100-D109 IonicContact CZ-OD2 3.84Å; R100-D109 IonicContact NH2-OD1 2.71Å; R100-D109 PolarHBondContact NH2-OD1 3.16Å; R100-D109 VanDerWaalsContact NH2-OD1 3.09Å; R100-D109 IonicContact NH2-OD2 2.75Å; R100-D109 PolarHBondContact NH2-OD2 3.37Å; H102-D109 WeakPolarHBondContact CB-OD1 3.48Å; H102-D109 IonicContact CE1-OD2 2.71Å; H102-D109 IonicContact CG-OD1 3.71Å; H102-D109 IonicContact ND1-OD1 2.77Å; H102-D109 PolarHBondContact ND1-OD1 2.9Å; H102-D109 IonicContact ND1-OD2 3.42Å; H102-D109 PolarHBondContact ND1-OD2 3.42Å |
| 110 | F | 92.8 | Very high | 91 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 103.6 | 176.5 | -64 | -90.5 | 0 | 0 | 0 | 110.2 | L46 R79 F81 H102 L103 R108 L112 | L46-F110 HydrophobicContact CD2-CB 3.38Å; L46-F110 HydrophobicContact CD2-CD1 3.85Å; L46-F110 HydrophobicContact CD2-CD2 4.21Å; L46-F110 HydrophobicContact CD2-CG 3.56Å; R79-F110 HydrophobicContact CB-CD1 4.02Å; R79-F110 HydrophobicContact CB-CE1 3.92Å; F81-F110 AromaticContact CD1-CE2 3.85Å; F81-F110 HydrophobicContact CD1-CE2 3.85Å; F81-F110 AromaticContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CE1-CD2 4.34Å; F81-F110 AromaticContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CZ 4.26Å; H102-F110 CarbonylContact C-O 3.58Å; H102-F110 VanDerWaalsContact CA-O 3.25Å; H102-F110 WeakPolarHBondContact CA-O 3.06Å; H102-F110 WeakPolarHBondContact CB-O 3.35Å; L103-F110 HydrophobicContact CB-CB 4.35Å; L103-F110 PolarHBondContact N-O 2.78Å; L103-F110 WeakPolarHBondContact O-CB 3.38Å; L103-F110 PolarHBondContact O-N 3Å; R108-F110 HydrophobicContact CB-CD2 4.29Å; R108-F110 HydrophobicContact CB-CE2 3.59Å; R108-F110 HydrophobicContact CB-CZ 4.04Å; F110-L112 PolarHBondContact O-N 2.91Å |
| 111 | L | 94 | Very high | 90.5 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 114.9 | 169.1 | 178.2 | 67.5 | 0 | 0 | 0 | 110.6 | A74 R79 R100 S113 | A74-L111 HydrophobicContact CB-CD2 4.16Å; A74-L111 HydrophobicContact CB-CG 3.97Å; R79-L111 VanDerWaalsContact CZ-O 3.32Å; R79-L111 PolarHBondContact NH1-O 3.34Å; R79-L111 PolarHBondContact NH2-O 2.95Å; R100-L111 HydrophobicContact CG-CD1 3.54Å; L111-S113 WeakPolarHBondContact CD1-O 3.37Å |
| 112 | L | 93.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -40.7 | 178.4 | -60.8 | -174.9 | 0 | 0 | 0 | 112.2 | L46 Y48 V67 A74 L92 L101 L103 F110 | L46-L112 HydrophobicContact CD1-CD2 4.36Å; L46-L112 HydrophobicContact CD2-CD2 3.67Å; L46-L112 HydrophobicContact CG-CD2 4.12Å; Y48-L112 HydrophobicContact CD2-CB 3.77Å; Y48-L112 HydrophobicContact CD2-CD1 3.86Å; Y48-L112 HydrophobicContact CD2-CD2 4.2Å; Y48-L112 HydrophobicContact CD2-CG 4.17Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.23Å; Y48-L112 HydrophobicContact CG-CB 4.1Å; Y48-L112 HydrophobicContact CG-CD2 4.29Å; V67-L112 HydrophobicContact CB-CD1 4.15Å; V67-L112 HydrophobicContact CG1-CD1 3.97Å; V67-L112 HydrophobicContact CG2-CD1 4.32Å; A74-L112 WeakPolarHBondContact CB-O 3.49Å; A74-L112 PolarHBondContact N-O 3.5Å; L92-L112 HydrophobicContact CD1-CD1 3.57Å; L101-L112 HydrophobicContact CB-CB 4.46Å; L101-L112 HydrophobicContact CD2-CB 4.08Å; L101-L112 HydrophobicContact CD2-CD1 4.05Å; L101-L112 HydrophobicContact CG-CB 4.19Å; L101-L112 HydrophobicContact CG-CD1 4.21Å; L101-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 WeakPolarHBondContact O-CB 3.13Å; L101-L112 PolarHBondContact O-N 3.31Å; L103-L112 HydrophobicContact CB-CD1 4.22Å; L103-L112 HydrophobicContact CB-CG 4.43Å; F110-L112 PolarHBondContact O-N 2.91Å |
| 113 | S | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 140.5 | 176.6 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | F71 P72 R100 L101 L111 K115 | F71-S113 WeakPolarHBondContact CB-OG 3.46Å; P72-S113 WeakPolarHBondContact O-CB 3.34Å; P72-S113 PolarHBondContact O-OG 3.48Å; R100-S113 WeakPolarHBondContact CA-O 3.23Å; L101-S113 PolarHBondContact N-O 3.43Å; L101-S113 PolarHBondContact O-N 3.45Å; L111-S113 WeakPolarHBondContact CD1-O 3.37Å; S113-K115 PolarHBondContact OG-N 2.96Å |
| 114 | D | 91.7 | Very high | 88.6 | Confident | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -105.7 | 6.3 | 171.5 | 65.4 | -24.4 | 0 | 0 | 0 | 112.8 | G99 | G99-D114 CarbonylContact O-C 3.56Å; G99-D114 WeakPolarHBondContact O-CA 3.43Å |
| 115 | K | 90.9 | Very high | 88 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 59% | 0.591 | 29% | 0.293 | S | S | * | . | trans | -127.1 | 39.8 | -179.7 | -65.3 | -177.6 | -175.8 | 179.3 | 0 | 112.1 | P72 G99 S113 S117 | P72-K115 HydrophobicContact CG-CB 4.08Å; P72-K115 HydrophobicContact CG-CD 4.36Å; G99-K115 PolarHBondContact O-N 3.14Å; S113-K115 PolarHBondContact OG-N 2.96Å; K115-S117 PolarHBondContact O-N 3.48Å | ||
| 116 | A | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -98.2 | 49.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | F71 W94 G99 L101 | F71-A116 HydrophobicContact CB-CB 4.1Å; F71-A116 HydrophobicContact CD1-CB 3.89Å; F71-A116 HydrophobicContact CD2-CB 3.63Å; F71-A116 HydrophobicContact CE1-CB 4.19Å; F71-A116 HydrophobicContact CE2-CB 3.96Å; F71-A116 HydrophobicContact CG-CB 3.59Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; W94-A116 PolarHBondContact NE1-O 3.16Å; G99-A116 PolarHBondContact O-N 3.43Å; L101-A116 HydrophobicContact CB-CB 4.08Å | ||
| 117 | S | 86.7 | Confident | 87.1 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | trans | -100.9 | 0.1 | -173.5 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | R96 K115 | R96-S117 VanDerWaalsContact CG-O 3.29Å; R96-S117 WeakPolarHBondContact CG-O 3.24Å; K115-S117 PolarHBondContact O-N 3.48Å | ||
| 118 | S | 85.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | trans | -70.3 | 139.7 | 180 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | F71 W94 L120 | F71-S118 WeakPolarHBondContact CE1-OG 3.47Å; W94-S118 VanDerWaalsContact CZ2-O 3.29Å; W94-S118 WeakPolarHBondContact CZ2-O 3.41Å; S118-L120 PolarHBondContact O-N 3.3Å | ||
| 119 | L | 82.8 | Confident | 85.2 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | trans | -75.6 | 114.4 | 172.3 | -179.8 | 65.1 | 0 | 0 | 0 | 110 | P164 K180 R181 | L119-P164 HydrophobicContact CD2-CG 4.29Å; L119-K180 HydrophobicContact CD1-CG 3.9Å; L119-K180 HydrophobicContact CD2-CG 4.3Å; L119-R181 HydrophobicContact CD2-CB 3.8Å; L119-R181 HydrophobicContact CD2-CG 4.39Å | ||
| 120 | L | 83.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | trans | -122.2 | 138.5 | 173.7 | -50.3 | 172.8 | 0 | 0 | 0 | 109.6 | L54 P70 F71 W94 S118 F161 | L54-L120 HydrophobicContact CD1-CD2 4.28Å; L54-L120 HydrophobicContact CD2-CD2 3.78Å; L54-L120 HydrophobicContact CG-CD2 4.48Å; P70-L120 HydrophobicContact CG-CD1 3.71Å; F71-L120 HydrophobicContact CE1-CD1 4Å; F71-L120 HydrophobicContact CZ-CD1 3.87Å; W94-L120 HydrophobicContact CH2-CB 3.6Å; W94-L120 HydrophobicContact CH2-CD1 4.04Å; W94-L120 HydrophobicContact CH2-CG 3.95Å; W94-L120 HydrophobicContact CZ2-CD1 4.45Å; W94-L120 HydrophobicContact CZ2-CG 4.44Å; W94-L120 HydrophobicContact CZ3-CB 4.19Å; S118-L120 PolarHBondContact O-N 3.3Å; L120-F161 HydrophobicContact CB-CB 3.77Å; L120-F161 HydrophobicContact CB-CD1 4.07Å; L120-F161 HydrophobicContact CB-CG 4.05Å; L120-F161 HydrophobicContact CD1-CB 4.47Å | ||
| 121 | C | 81.8 | Confident | 82.9 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 142.6 | 180 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | F161 H162 C177 | C121-F161 CarbonylContact O-C 3.58Å; C121-F161 WeakPolarHBondContact O-CA 3.48Å; C121-F161 VanDerWaalsContact O-CB 3.28Å; C121-F161 WeakPolarHBondContact O-CB 3.39Å; C121-H162 PolarHBondContact N-O 2.66Å; C121-H162 PolarHBondContact O-CD2 2.72Å; C121-H162 PolarHBondContact O-N 2.92Å; C121-C177 HydrophobicContact CB-CB 3.62Å; C121-C177 WeakPolarHBondContact CB-SG 3.37Å; C121-C177 WeakPolarHBondContact SG-CA 3.32Å; C121-C177 WeakPolarHBondContact SG-CB 3.33Å; C121-C177 CovalentContact SG-SG 2.01Å; C121-C177 PolarHBondContact SG-SG 3.4Å |
| 122 | F | 81 | Confident | 82.2 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 25% | 0.254 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 145.4 | 178.4 | -156.4 | -133.3 | 0 | 0 | 0 | 112.4 | H124 Q125 W144 F159 H162 | F122-H124 WeakPolarHBondContact CE2-O 3.2Å; F122-H124 VanDerWaalsContact CZ-C 3.49Å; F122-Q125 HydrophobicContact CE2-CB 4.36Å; F122-Q125 HydrophobicContact CZ-CB 3.79Å; F122-W144 HydrophobicContact CB-CD2 3.6Å; F122-W144 HydrophobicContact CB-CE3 3.64Å; F122-W144 HydrophobicContact CB-CH2 3.18Å; F122-W144 HydrophobicContact CB-CZ2 3.11Å; F122-W144 HydrophobicContact CB-CZ3 3.43Å; F122-W144 VanDerWaalsContact CB-CZ3 3.43Å; F122-W144 AromaticContact CD1-CE2 3.7Å; F122-W144 HydrophobicContact CD1-CH2 4.42Å; F122-W144 AromaticContact CD1-CZ2 3.58Å; F122-W144 HydrophobicContact CD1-CZ2 3.58Å; F122-W144 AromaticContact CD1-NE1 3.74Å; F122-W144 AromaticContact CD2-CH2 3.31Å; F122-W144 HydrophobicContact CD2-CH2 3.31Å; F122-W144 AromaticContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ3 4.37Å; F122-W144 HydrophobicContact CE1-CZ2 4.24Å; F122-W144 HydrophobicContact CE2-CH2 4.29Å; F122-W144 AromaticContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CG-CD2 4.27Å; F122-W144 AromaticContact CG-CE2 3.41Å; F122-W144 VanDerWaalsContact CG-CE2 3.41Å; F122-W144 AromaticContact CG-CH2 3.38Å; F122-W144 HydrophobicContact CG-CH2 3.38Å; F122-W144 AromaticContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ3 4.17Å; F122-W144 AromaticContact CG-NE1 3.96Å; F122-W144 HydrophobicContact CZ-CZ2 4.35Å; F122-F159 HydrophobicContact CE2-CB 4.42Å; F122-F159 HydrophobicContact CE2-CD1 4.07Å; F122-H162 PolarHBondContact O-CD2 2.85Å; F122-H162 VanDerWaalsContact O-CD2 3.29Å; F122-H162 PolarHBondContact O-NE2 3.04Å |
| 123 | Q | 81 | Confident | 81.9 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -62.8 | 166.2 | -169.6 | 174.1 | 5.8 | 0 | 0 | 110.3 | S160 | Q123-S160 PolarHBondContact N-O 3.27Å |
| 124 | H | 82.7 | Confident | 81.7 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 168.8 | -177.5 | -169.8 | 56 | 0 | 0 | 0 | 111.2 | F122 S160 | F122-H124 WeakPolarHBondContact CE2-O 3.2Å; F122-H124 VanDerWaalsContact CZ-C 3.49Å; H124-S160 PolarHBondContact N-OG 3.31Å; H124-S160 VanDerWaalsContact N-OG 3.08Å; H124-S160 PolarHBondContact O-N 3.19Å; H124-S160 PolarHBondContact O-OG 3.23Å |
| 125 | Q | 82.7 | Confident | 81.7 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.5 | 174.1 | 168.8 | -170.4 | -38.7 | 0 | 0 | 108.9 | F122 E127 L151 T158 F159 | F122-Q125 HydrophobicContact CE2-CB 4.36Å; F122-Q125 HydrophobicContact CZ-CB 3.79Å; Q125-E127 PolarHBondContact NE2-OE1 3.35Å; Q125-L151 VanDerWaalsContact NE2-CD1 3.27Å; Q125-T158 WeakPolarHBondContact CA-O 3.31Å; Q125-F159 HydrophobicContact CB-CD1 4.09Å; Q125-F159 HydrophobicContact CB-CE1 4.31Å; Q125-F159 HydrophobicContact CG-CD1 3.98Å; Q125-F159 HydrophobicContact CG-CE1 3.79Å |
| 126 | E | 83.6 | Confident | 81.6 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.2 | 174.4 | -69.9 | 174.9 | -173.8 | 0 | 0 | 110.3 | T158 | E126-T158 PolarHBondContact N-O 3.35Å; E126-T158 PolarHBondContact O-N 2.95Å |
| 127 | E | 79.5 | Confident | 81.7 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.5 | 173.8 | -66.4 | 170.8 | -169.3 | 0 | 0 | 108 | Q125 P152 F157 | Q125-E127 PolarHBondContact NE2-OE1 3.35Å; E127-P152 VanDerWaalsContact CD-CG 3.48Å; E127-P152 VanDerWaalsContact OE1-CD 3.29Å; E127-P152 WeakPolarHBondContact OE1-CD 3.41Å; E127-P152 WeakPolarHBondContact OE1-CG 3.24Å; E127-P152 WeakPolarHBondContact OE2-CG 3.48Å; E127-F157 HydrophobicContact CG-CD1 4.09Å; E127-F157 HydrophobicContact CG-CE1 4.09Å |
| 128 | S | 74.1 | Confident | 81.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.8 | 176.1 | 137.8 | 0 | 0 | 0 | 0 | 109.2 | A130 S156 | S128-A130 PolarHBondContact O-N 3.34Å; S128-A130 PolarHBondContact OG-N 2.88Å; S128-A130 VanDerWaalsContact OG-N 3.14Å; S128-S156 WeakPolarHBondContact CB-OG 3.36Å; S128-S156 PolarHBondContact N-O 3.47Å; S128-S156 PolarHBondContact O-OG 2.92Å; S128-S156 VanDerWaalsContact O-OG 3.05Å; S128-S156 PolarHBondContact OG-OG 3.32Å |
| 129 | L | 65.4 | Low | 82.3 | Confident | 177 Ų | 177 | 64.9 Ų | 64.9 | 93% | 0.927 | 36% | 0.357 | S | S | * | . | trans | -71.8 | 60.3 | 160.9 | -98.1 | 92.4 | 0 | 0 | 0 | 109.2 | ||||
| 130 | A | 65.4 | Low | 82.7 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -62.4 | 146.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S128 G132 A155 | S128-A130 PolarHBondContact O-N 3.34Å; S128-A130 PolarHBondContact OG-N 2.88Å; S128-A130 VanDerWaalsContact OG-N 3.14Å; A130-G132 PolarHBondContact O-N 2.97Å; A130-A155 HydrophobicContact CB-CB 4.16Å; A130-A155 WeakPolarHBondContact O-CB 3.5Å | ||
| 131 | Q | 72.7 | Confident | 82.9 | Confident | 207 Ų | 207 | 65 Ų | 65 | 97% | 0.967 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -68.6 | 101 | 170.1 | -76.4 | 175.6 | -17.8 | 0 | 0 | 108.6 | ||
| 132 | G | 78.9 | Confident | 83 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -176.9 | 167 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A130 | A130-G132 PolarHBondContact O-N 2.97Š|
| 133 | P | 87.2 | Confident | 82.9 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 131 | 175.7 | 23.7 | -31.1 | 0 | 0 | 0 | 110.1 | N60 E62 | N60-P133 PolarHBondContact ND2-O 2.85Å; E62-P133 HydrophobicContact CG-CG 4.14Å |
| 134 | P | 89.3 | Confident | 82.4 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.7 | -178 | 28.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 135 | L | 91.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 138 | 162.8 | -72.3 | 179.5 | 0 | 0 | 0 | 109.2 | F34 S36 R38 I58 N60 F90 S153 A154 F157 | F34-L135 HydrophobicContact CE1-CD1 4.46Å; F34-L135 HydrophobicContact CZ-CD1 4.26Å; S36-L135 WeakPolarHBondContact OG-CB 3.34Å; R38-L135 HydrophobicContact CB-CD2 3.85Å; R38-L135 HydrophobicContact CG-CD2 4.39Å; I58-L135 HydrophobicContact CG2-CD1 4.24Å; N60-L135 HydrophobicContact CB-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD2 3.85Å; N60-L135 HydrophobicContact CB-CG 3.71Å; N60-L135 VanDerWaalsContact CG-CD2 3.48Å; F90-L135 HydrophobicContact CE1-CD2 3.64Å; F90-L135 HydrophobicContact CZ-CD1 4.13Å; F90-L135 HydrophobicContact CZ-CD2 3.8Å; L135-S153 VanDerWaalsContact O-CA 3.23Å; L135-S153 WeakPolarHBondContact O-CA 3.48Å; L135-S153 VanDerWaalsContact O-CB 3.28Å; L135-S153 WeakPolarHBondContact O-CB 3.34Å; L135-A154 VanDerWaalsContact CB-O 3.31Å; L135-A154 WeakPolarHBondContact CB-O 3.16Å; L135-A154 PolarHBondContact N-O 3.31Å; L135-F157 HydrophobicContact CB-CE2 4.05Å; L135-F157 HydrophobicContact CD1-CD2 4.04Å; L135-F157 HydrophobicContact CD1-CE2 4.01Å |
| 136 | L | 89.8 | Confident | 81.3 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 154.3 | -173.1 | -57.5 | 173.8 | 0 | 0 | 0 | 110.8 | S36 Q37 T138 | S36-L136 PolarHBondContact OG-O 2.87Å; Q37-L136 HydrophobicContact CB-CB 4.31Å; Q37-L136 WeakPolarHBondContact CB-O 3.17Å; Q37-L136 PolarHBondContact N-O 3.44Å; Q37-L136 PolarHBondContact O-N 3.4Å; L136-T138 PolarHBondContact O-N 3.42Å |
| 137 | A | 90.5 | Very high | 81 | Confident | 65 Ų | 65 | 62 Ų | 62 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q37 | Q37-A137 HydrophobicContact CG-CB 4.31Å |
| 138 | T | 92.1 | Very high | 81.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.6 | -175.8 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | F34 C35 S36 L136 S150 L151 F157 | F34-T138 HydrophobicContact CD2-CG2 4.09Å; F34-T138 HydrophobicContact CE1-CG2 4.5Å; F34-T138 HydrophobicContact CE2-CG2 3.18Å; F34-T138 HydrophobicContact CZ-CG2 3.44Å; F34-T138 VanDerWaalsContact CZ-CG2 3.44Å; C35-T138 CarbonylContact O-C 3.59Å; C35-T138 WeakPolarHBondContact O-CA 3.19Å; S36-T138 PolarHBondContact OG-OG1 3.46Å; L136-T138 PolarHBondContact O-N 3.42Å; T138-S150 WeakPolarHBondContact O-CA 3.33Å; T138-L151 HydrophobicContact CG2-CB 3.93Å; T138-L151 HydrophobicContact CG2-CD1 4.05Å; T138-L151 HydrophobicContact CG2-CG 4.44Å; T138-L151 PolarHBondContact O-N 3.36Å; T138-F157 HydrophobicContact CG2-CD2 4.36Å; T138-F157 HydrophobicContact CG2-CE1 4.21Å; T138-F157 HydrophobicContact CG2-CE2 3.81Å; T138-F157 HydrophobicContact CG2-CZ 3.73Å |
| 139 | S | 92.3 | Very high | 81.8 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.4 | 173 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | F34 C35 I149 | F34-S139 WeakPolarHBondContact CA-O 3.32Å; C35-S139 PolarHBondContact N-O 2.99Å; C35-S139 PolarHBondContact O-N 3.24Å; S139-I149 CarbonylContact C-O 3.56Å; S139-I149 WeakPolarHBondContact CA-O 2.96Å |
| 140 | V | 91.7 | Very high | 82.9 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.7 | 177 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | F32 R33 I149 L151 F159 | F32-V140 HydrophobicContact CD2-CG2 4.25Å; F32-V140 HydrophobicContact CE2-CG2 3.55Å; F32-V140 HydrophobicContact CZ-CG2 4.01Å; R33-V140 CarbonylContact O-C 3.48Å; R33-V140 WeakPolarHBondContact O-CA 3.37Å; V140-I149 HydrophobicContact CG1-CB 4.03Å; V140-I149 PolarHBondContact N-O 2.91Å; V140-I149 PolarHBondContact O-N 2.97Å; V140-L151 HydrophobicContact CB-CD1 4.17Å; V140-L151 HydrophobicContact CG1-CD1 3.88Å; V140-L151 HydrophobicContact CG1-CD2 4.35Å; V140-L151 HydrophobicContact CG1-CG 4.15Å; V140-F159 HydrophobicContact CB-CE1 4.23Å; V140-F159 HydrophobicContact CB-CZ 4.4Å; V140-F159 HydrophobicContact CG1-CE1 4.37Å; V140-F159 HydrophobicContact CG2-CD1 4.47Å; V140-F159 HydrophobicContact CG2-CE1 3.81Å; V140-F159 HydrophobicContact CG2-CZ 4.14Å |
| 141 | T | 87.9 | Confident | 84 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.1 | 169.6 | 39.5 | 0 | 0 | 0 | 0 | 109.6 | F32 R33 N148 | F32-T141 WeakPolarHBondContact CA-O 3.2Å; R33-T141 WeakPolarHBondContact CB-OG1 3.44Å; R33-T141 PolarHBondContact N-O 3.46Å; R33-T141 PolarHBondContact NE-OG1 3.15Å; R33-T141 PolarHBondContact O-N 3.21Å; R33-T141 PolarHBondContact O-OG1 3.18Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 WeakPolarHBondContact CG2-OD1 3.45Å |
| 142 | S | 84.3 | Confident | 84.8 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 166.4 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | D31 W144 S145 | D31-S142 WeakPolarHBondContact O-CA 3.31Å; S142-W144 VanDerWaalsContact CB-CE2 3.41Å; S142-W144 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact OG-CZ2 2.92Å; S142-W144 PolarHBondContact OG-NE1 3.37Å; S142-W144 VanDerWaalsContact OG-NE1 3.12Å; S142-S145 PolarHBondContact N-O 3.4Å; S142-S145 CarbonylContact O-C 3.59Å; S142-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact OG-N 3.04Å |
| 143 | W | 78.4 | Confident | 85.3 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -63.4 | -28.3 | 178.9 | 72.5 | -92.9 | 0 | 0 | 0 | 113.6 | D31 K180 F228 | D31-W143 PolarHBondContact O-N 3.3Å; W143-K180 HydrophobicContact CE3-CD 4.26Å; W143-K180 HydrophobicContact CH2-CB 3.82Å; W143-K180 HydrophobicContact CH2-CD 4.06Å; W143-K180 HydrophobicContact CH2-CG 3.8Å; W143-K180 HydrophobicContact CZ2-CB 4.38Å; W143-K180 HydrophobicContact CZ2-CG 4.09Å; W143-K180 HydrophobicContact CZ3-CB 4.39Å; W143-K180 HydrophobicContact CZ3-CD 3.86Å; W143-K180 HydrophobicContact CZ3-CG 4.14Å; W143-F228 HydrophobicContact CZ3-CD1 4.12Å; W143-F228 HydrophobicContact CZ3-CE1 4.16Å |
| 144 | W | 70.9 | Confident | 85.4 | Confident | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83.3 | -25.7 | 177.1 | 65.6 | 80.2 | 0 | 0 | 0 | 113 | F122 S142 F161 M176 | F122-W144 HydrophobicContact CB-CD2 3.6Å; F122-W144 HydrophobicContact CB-CE3 3.64Å; F122-W144 HydrophobicContact CB-CH2 3.18Å; F122-W144 HydrophobicContact CB-CZ2 3.11Å; F122-W144 HydrophobicContact CB-CZ3 3.43Å; F122-W144 VanDerWaalsContact CB-CZ3 3.43Å; F122-W144 AromaticContact CD1-CE2 3.7Å; F122-W144 HydrophobicContact CD1-CH2 4.42Å; F122-W144 AromaticContact CD1-CZ2 3.58Å; F122-W144 HydrophobicContact CD1-CZ2 3.58Å; F122-W144 AromaticContact CD1-NE1 3.74Å; F122-W144 AromaticContact CD2-CH2 3.31Å; F122-W144 HydrophobicContact CD2-CH2 3.31Å; F122-W144 AromaticContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ3 4.37Å; F122-W144 HydrophobicContact CE1-CZ2 4.24Å; F122-W144 HydrophobicContact CE2-CH2 4.29Å; F122-W144 AromaticContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CG-CD2 4.27Å; F122-W144 AromaticContact CG-CE2 3.41Å; F122-W144 VanDerWaalsContact CG-CE2 3.41Å; F122-W144 AromaticContact CG-CH2 3.38Å; F122-W144 HydrophobicContact CG-CH2 3.38Å; F122-W144 AromaticContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ3 4.17Å; F122-W144 AromaticContact CG-NE1 3.96Å; F122-W144 HydrophobicContact CZ-CZ2 4.35Å; S142-W144 VanDerWaalsContact CB-CE2 3.41Å; S142-W144 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact OG-CZ2 2.92Å; S142-W144 PolarHBondContact OG-NE1 3.37Å; S142-W144 VanDerWaalsContact OG-NE1 3.12Å; W144-F161 AromaticContact CH2-CE1 4Å; W144-F161 HydrophobicContact CH2-CE1 4Å; W144-F161 HydrophobicContact CZ3-CE1 4.28Å; W144-M176 HydrophobicContact CB-CE 4.36Å |
| 145 | S | 72.2 | Confident | 85.5 | Confident | 28 Ų | 28 | 50 Ų | 50 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -129.9 | 85.7 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | S142 Q147 | S142-S145 PolarHBondContact N-O 3.4Å; S142-S145 CarbonylContact O-C 3.59Å; S142-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact OG-N 3.04Å; S145-Q147 PolarHBondContact O-N 3.47Å; S145-Q147 VanDerWaalsContact O-N 3.14Å | ||
| 146 | P | 70.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | trans | -69 | -10.4 | -177.8 | 26.4 | -33.7 | 0 | 0 | 0 | 113.1 | ||||
| 147 | Q | 77.5 | Confident | 85.6 | Confident | 152 Ų | 152 | 47 Ų | 47 | 71% | 0.71 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -72.3 | 135.1 | 174.6 | -63.7 | -176.7 | -2.7 | 0 | 0 | 110.6 | S145 I149 | S145-Q147 PolarHBondContact O-N 3.47Å; S145-Q147 VanDerWaalsContact O-N 3.14Å; Q147-I149 PolarHBondContact O-N 2.96Å; Q147-I149 VanDerWaalsContact O-N 3.09Å |
| 148 | N | 82.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 45.2 Ų | 45.2 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | trans | -65.2 | 107.2 | 171.3 | -84.8 | -27.5 | 0 | 0 | 0 | 109.2 | R33 T141 | R33-N148 PolarHBondContact NH2-OD1 2.67Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 WeakPolarHBondContact CG2-OD1 3.45Å | ||
| 149 | I | 86.5 | Confident | 85.7 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.5 | 174.5 | -58.8 | 172.2 | 0 | 0 | 0 | 107.6 | S139 V140 Q147 L151 | S139-I149 CarbonylContact C-O 3.56Å; S139-I149 WeakPolarHBondContact CA-O 2.96Å; V140-I149 HydrophobicContact CG1-CB 4.03Å; V140-I149 PolarHBondContact N-O 2.91Å; V140-I149 PolarHBondContact O-N 2.97Å; Q147-I149 PolarHBondContact O-N 2.96Å; Q147-I149 VanDerWaalsContact O-N 3.09Å; I149-L151 HydrophobicContact CG2-CD2 4.06Å |
| 150 | S | 89.7 | Confident | 85.6 | Confident | 104 Ų | 104 | 45 Ų | 45 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.1 | 172.3 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | T138 | T138-S150 WeakPolarHBondContact O-CA 3.33Å |
| 151 | L | 88.4 | Confident | 85.4 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.1 | 178.8 | -60.2 | -179.1 | 0 | 0 | 0 | 110.8 | Q125 T138 V140 I149 F157 F159 | Q125-L151 VanDerWaalsContact NE2-CD1 3.27Å; T138-L151 HydrophobicContact CG2-CB 3.93Å; T138-L151 HydrophobicContact CG2-CD1 4.05Å; T138-L151 HydrophobicContact CG2-CG 4.44Å; T138-L151 PolarHBondContact O-N 3.36Å; V140-L151 HydrophobicContact CB-CD1 4.17Å; V140-L151 HydrophobicContact CG1-CD1 3.88Å; V140-L151 HydrophobicContact CG1-CD2 4.35Å; V140-L151 HydrophobicContact CG1-CG 4.15Å; I149-L151 HydrophobicContact CG2-CD2 4.06Å; L151-F157 HydrophobicContact CB-CE1 4Å; L151-F157 HydrophobicContact CD1-CD1 4.06Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; L151-F159 HydrophobicContact CD1-CE1 4.26Å; L151-F159 HydrophobicContact CD1-CZ 4.07Å |
| 152 | P | 88.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 46.7 Ų | 46.7 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | trans | -66.2 | 159.3 | 175.9 | 30.9 | -37 | 0 | 0 | 0 | 111.4 | E127 A154 F157 | E127-P152 VanDerWaalsContact CD-CG 3.48Å; E127-P152 VanDerWaalsContact OE1-CD 3.29Å; E127-P152 WeakPolarHBondContact OE1-CD 3.41Å; E127-P152 WeakPolarHBondContact OE1-CG 3.24Å; E127-P152 WeakPolarHBondContact OE2-CG 3.48Å; P152-A154 PolarHBondContact O-N 3.39Å; P152-F157 VanDerWaalsContact O-CZ 3.25Å; P152-F157 WeakPolarHBondContact O-CZ 3.34Å | ||
| 153 | S | 88.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 49 Ų | 49 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | trans | -69.4 | 121.2 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | L135 | L135-S153 VanDerWaalsContact O-CA 3.23Å; L135-S153 WeakPolarHBondContact O-CA 3.48Å; L135-S153 VanDerWaalsContact O-CB 3.28Å; L135-S153 WeakPolarHBondContact O-CB 3.34Å | ||
| 154 | A | 90.2 | Very high | 85.1 | Confident | 10 Ų | 10 | 48 Ų | 48 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -141.9 | 157.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L135 P152 S156 F157 | L135-A154 VanDerWaalsContact CB-O 3.31Å; L135-A154 WeakPolarHBondContact CB-O 3.16Å; L135-A154 PolarHBondContact N-O 3.31Å; P152-A154 PolarHBondContact O-N 3.39Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-F157 HydrophobicContact CB-CE1 4.03Å; A154-F157 HydrophobicContact CB-CE2 4.14Å; A154-F157 HydrophobicContact CB-CZ 3.71Å |
| 155 | A | 90.7 | Very high | 85.1 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76.3 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N60 A130 | N60-A155 VanDerWaalsContact CB-O 3.28Å; N60-A155 WeakPolarHBondContact CB-O 3.37Å; N60-A155 PolarHBondContact N-O 2.93Å; A130-A155 HydrophobicContact CB-CB 4.16Å; A130-A155 WeakPolarHBondContact O-CB 3.5Å |
| 156 | S | 91.9 | Very high | 84.9 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 140.4 | -178.6 | 58 | 0 | 0 | 0 | 0 | 112.5 | I58 S128 A154 | I58-S156 WeakPolarHBondContact O-CA 3.3Å; S128-S156 WeakPolarHBondContact CB-OG 3.36Å; S128-S156 PolarHBondContact N-O 3.47Å; S128-S156 PolarHBondContact O-OG 2.92Å; S128-S156 VanDerWaalsContact O-OG 3.05Å; S128-S156 PolarHBondContact OG-OG 3.32Å; A154-S156 VanDerWaalsContact C-N 3.33Å |
| 157 | F | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.9 | 174.6 | -64.1 | -86.1 | 0 | 0 | 0 | 109.7 | F34 S57 I58 E127 L135 T138 L151 P152 A154 F159 | F34-F157 HydrophobicContact CE2-CB 4.14Å; F34-F157 HydrophobicContact CE2-CD1 4.5Å; F34-F157 AromaticContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CE2 4.31Å; F34-F157 AromaticContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CZ-CB 4.44Å; F34-F157 AromaticContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CE2 4Å; F34-F157 HydrophobicContact CZ-CG 4.1Å; S57-F157 CarbonylContact C-O 3.05Å; S57-F157 VanDerWaalsContact CA-O 3.24Å; S57-F157 WeakPolarHBondContact CA-O 3.44Å; I58-F157 PolarHBondContact N-O 3.18Å; I58-F157 PolarHBondContact O-N 3.19Å; E127-F157 HydrophobicContact CG-CD1 4.09Å; E127-F157 HydrophobicContact CG-CE1 4.09Å; L135-F157 HydrophobicContact CB-CE2 4.05Å; L135-F157 HydrophobicContact CD1-CD2 4.04Å; L135-F157 HydrophobicContact CD1-CE2 4.01Å; T138-F157 HydrophobicContact CG2-CD2 4.36Å; T138-F157 HydrophobicContact CG2-CE1 4.21Å; T138-F157 HydrophobicContact CG2-CE2 3.81Å; T138-F157 HydrophobicContact CG2-CZ 3.73Å; L151-F157 HydrophobicContact CB-CE1 4Å; L151-F157 HydrophobicContact CD1-CD1 4.06Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; P152-F157 VanDerWaalsContact O-CZ 3.25Å; P152-F157 WeakPolarHBondContact O-CZ 3.34Å; A154-F157 HydrophobicContact CB-CE1 4.03Å; A154-F157 HydrophobicContact CB-CE2 4.14Å; A154-F157 HydrophobicContact CB-CZ 3.71Å; F157-F159 HydrophobicContact CB-CE2 3.79Å; F157-F159 HydrophobicContact CB-CZ 4.08Å |
| 158 | T | 92.2 | Very high | 83.4 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.9 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | R55 S57 Q125 E126 | R55-T158 HydrophobicContact CB-CG2 4.2Å; S57-T158 WeakPolarHBondContact CB-OG1 3.25Å; Q125-T158 WeakPolarHBondContact CA-O 3.31Å; E126-T158 PolarHBondContact N-O 3.35Å; E126-T158 PolarHBondContact O-N 2.95Å |
| 159 | F | 92.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.6 | 175.9 | -56.3 | -85.6 | 0 | 0 | 0 | 108.2 | F32 F34 R55 I56 I58 F122 Q125 V140 L151 F157 F161 | F32-F159 HydrophobicContact CE2-CB 4.33Å; F32-F159 AromaticContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD2 4.16Å; F32-F159 HydrophobicContact CE2-CE1 4.32Å; F32-F159 AromaticContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CZ-CB 4.45Å; F32-F159 HydrophobicContact CZ-CD1 4.2Å; F32-F159 AromaticContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CE1 4.38Å; F32-F159 AromaticContact CZ-CE2 3.83Å; F32-F159 HydrophobicContact CZ-CE2 3.83Å; F32-F159 AromaticContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CZ 4.22Å; F34-F159 AromaticContact CD2-CE2 3.65Å; F34-F159 HydrophobicContact CD2-CE2 3.65Å; F34-F159 AromaticContact CD2-CZ 3.54Å; F34-F159 HydrophobicContact CD2-CZ 3.54Å; F34-F159 AromaticContact CE2-CE2 3.98Å; F34-F159 HydrophobicContact CE2-CE2 3.98Å; F34-F159 AromaticContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CG-CE2 4.38Å; R55-F159 CarbonylContact C-O 3.31Å; R55-F159 WeakPolarHBondContact CA-O 3.43Å; R55-F159 WeakPolarHBondContact CB-O 3.17Å; I56-F159 PolarHBondContact N-O 3.42Å; I56-F159 PolarHBondContact O-N 3.37Å; I58-F159 HydrophobicContact CD1-CD2 4.09Å; I58-F159 HydrophobicContact CD1-CE2 3.73Å; F122-F159 HydrophobicContact CE2-CB 4.42Å; F122-F159 HydrophobicContact CE2-CD1 4.07Å; Q125-F159 HydrophobicContact CB-CD1 4.09Å; Q125-F159 HydrophobicContact CB-CE1 4.31Å; Q125-F159 HydrophobicContact CG-CD1 3.98Å; Q125-F159 HydrophobicContact CG-CE1 3.79Å; V140-F159 HydrophobicContact CB-CE1 4.23Å; V140-F159 HydrophobicContact CB-CZ 4.4Å; V140-F159 HydrophobicContact CG1-CE1 4.37Å; V140-F159 HydrophobicContact CG2-CD1 4.47Å; V140-F159 HydrophobicContact CG2-CE1 3.81Å; V140-F159 HydrophobicContact CG2-CZ 4.14Å; L151-F159 HydrophobicContact CD1-CE1 4.26Å; L151-F159 HydrophobicContact CD1-CZ 4.07Å; F157-F159 HydrophobicContact CB-CE2 3.79Å; F157-F159 HydrophobicContact CB-CZ 4.08Å; F159-F161 HydrophobicContact CB-CE2 3.89Å; F159-F161 HydrophobicContact CB-CZ 4.04Å; F159-F161 WeakPolarHBondContact O-CD2 3.33Å; F159-F161 WeakPolarHBondContact O-CE2 3.49Å |
| 160 | S | 89.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 143.4 | 176.8 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | Q123 H124 | Q123-S160 PolarHBondContact N-O 3.27Å; H124-S160 PolarHBondContact N-OG 3.31Å; H124-S160 VanDerWaalsContact N-OG 3.08Å; H124-S160 PolarHBondContact O-N 3.19Å; H124-S160 PolarHBondContact O-OG 3.23Å |
| 161 | F | 88.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.2 | 178.9 | -54.8 | -94.3 | 0 | 0 | 0 | 110.4 | F32 L54 I56 W94 L120 C121 W144 F159 | F32-F161 HydrophobicContact CD2-CZ 4.13Å; F32-F161 HydrophobicContact CE2-CZ 4.3Å; L54-F161 HydrophobicContact CB-CB 4.44Å; L54-F161 VanDerWaalsContact CB-O 3.24Å; L54-F161 WeakPolarHBondContact CB-O 3.42Å; L54-F161 WeakPolarHBondContact O-CA 3.2Å; L54-F161 WeakPolarHBondContact O-CB 3.43Å; L54-F161 PolarHBondContact O-N 3.11Å; I56-F161 HydrophobicContact CB-CE2 3.96Å; I56-F161 HydrophobicContact CD1-CE2 3.68Å; I56-F161 HydrophobicContact CD1-CZ 3.85Å; I56-F161 HydrophobicContact CG1-CD2 4.44Å; I56-F161 HydrophobicContact CG1-CE2 3.62Å; I56-F161 HydrophobicContact CG1-CZ 4.3Å; W94-F161 HydrophobicContact CZ3-CD1 4.43Å; W94-F161 HydrophobicContact CZ3-CE1 4.03Å; W94-F161 HydrophobicContact CZ3-CZ 4.44Å; L120-F161 HydrophobicContact CB-CB 3.77Å; L120-F161 HydrophobicContact CB-CD1 4.07Å; L120-F161 HydrophobicContact CB-CG 4.05Å; L120-F161 HydrophobicContact CD1-CB 4.47Å; C121-F161 CarbonylContact O-C 3.58Å; C121-F161 WeakPolarHBondContact O-CA 3.48Å; C121-F161 VanDerWaalsContact O-CB 3.28Å; C121-F161 WeakPolarHBondContact O-CB 3.39Å; W144-F161 AromaticContact CH2-CE1 4Å; W144-F161 HydrophobicContact CH2-CE1 4Å; W144-F161 HydrophobicContact CZ3-CE1 4.28Å; F159-F161 HydrophobicContact CB-CE2 3.89Å; F159-F161 HydrophobicContact CB-CZ 4.04Å; F159-F161 WeakPolarHBondContact O-CD2 3.33Å; F159-F161 WeakPolarHBondContact O-CE2 3.49Å |
| 162 | H | 84.9 | Confident | 77.4 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.3 | 170.3 | 68.7 | 93.4 | 0 | 0 | 0 | 110.5 | C121 F122 D175 | C121-H162 PolarHBondContact N-O 2.66Å; C121-H162 PolarHBondContact O-CD2 2.72Å; C121-H162 PolarHBondContact O-N 2.92Å; F122-H162 PolarHBondContact O-CD2 2.85Å; F122-H162 VanDerWaalsContact O-CD2 3.29Å; F122-H162 PolarHBondContact O-NE2 3.04Å; H162-D175 IonicContact CE1-OD2 2.99Å |
| 163 | S | 82.3 | Confident | 76.2 | Confident | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 153.3 | 167.5 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | L54 | L54-S163 WeakPolarHBondContact CD1-OG 3.42Š|
| 164 | P | 76 | Confident | 75.2 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 141.1 | 171.6 | 23.7 | -33 | 0 | 0 | 0 | 110.5 | L119 H166 C177 R181 | L119-P164 HydrophobicContact CD2-CG 4.29Å; P164-H166 PolarHBondContact O-N 3.49Å; P164-C177 VanDerWaalsContact CA-SG 3.53Å; P164-C177 HydrophobicContact CB-CB 4.48Å; P164-R181 HydrophobicContact CB-CB 3.97Å; P164-R181 HydrophobicContact CB-CG 4.35Å; P164-R181 HydrophobicContact CG-CB 4.1Å; P164-R181 HydrophobicContact CG-CG 4.09Å |
| 165 | P | 71.9 | Confident | 74.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 29% | 0.286 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 137.4 | -179.5 | 23.7 | -32.3 | 0 | 0 | 0 | 111.3 | E178 R181 | P165-E178 HydrophobicContact CG-CB 4.17Å; P165-R181 PolarHBondContact O-NH1 2.81Å |
| 166 | H | 66.3 | Low | 74.2 | Confident | 175 Ų | 175 | 58.5 Ų | 58.5 | 81% | 0.81 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72 | -32.3 | 178.7 | -76.3 | -64.8 | 0 | 0 | 0 | 112.5 | P164 | P164-H166 PolarHBondContact O-N 3.49Š|
| 167 | T | 61 | Low | 73.7 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 72% | 0.724 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -107 | 132 | 179.3 | 35.2 | 0 | 0 | 0 | 0 | 111 | A169 | T167-A169 PolarHBondContact O-N 3.31Š|
| 168 | A | 56.5 | Low | 73.3 | Confident | 51 Ų | 51 | 59 Ų | 59 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | trans | -64.1 | 125.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H170 E178 | A168-H170 PolarHBondContact O-N 2.93Å; A168-E178 WeakPolarHBondContact CA-OE1 3.23Å; A168-E178 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 169 | A | 55.8 | Low | 73 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | trans | -73.6 | 101.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | T167 N171 A172 | T167-A169 PolarHBondContact O-N 3.31Å; A169-N171 PolarHBondContact O-N 3.17Å; A169-A172 HydrophobicContact CB-CB 3.9Å | ||
| 170 | H | 54.8 | Low | 72.8 | Confident | 176 Ų | 176 | 58 Ų | 58 | 82% | 0.815 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.7 | -173.1 | -77.9 | -70.9 | 0 | 0 | 0 | 115.4 | A168 | A168-H170 PolarHBondContact O-N 2.93Š|
| 171 | N | 52.3 | Low | 72.6 | Confident | 171 Ų | 171 | 59.2 Ų | 59.2 | 91% | 0.914 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 11.4 | -173.3 | -74 | -26.1 | 0 | 0 | 0 | 115 | A169 | A169-N171 PolarHBondContact O-N 3.17Š|
| 172 | A | 57.5 | Low | 72.5 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -103.7 | 157.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A169 V174 | A169-A172 HydrophobicContact CB-CB 3.9Å; A172-V174 PolarHBondContact O-N 3.47Å |
| 173 | S | 63.7 | Low | 72.7 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 134.4 | 168.6 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | D175 | S173-D175 PolarHBondContact O-N 3.28Š|
| 174 | V | 69 | Low | 73 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 123.8 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | A172 L179 K215 S218 | A172-V174 PolarHBondContact O-N 3.47Å; V174-L179 HydrophobicContact CG1-CB 4Å; V174-K215 HydrophobicContact CG2-CG 4.38Å; V174-S218 WeakPolarHBondContact CG2-OG 3.32Å |
| 175 | D | 76.8 | Confident | 73.5 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -65 | 133.2 | 173.9 | 178.6 | 17.4 | 0 | 0 | 0 | 109 | H162 S173 C177 E178 L179 | H162-D175 IonicContact CE1-OD2 2.99Å; S173-D175 PolarHBondContact O-N 3.28Å; D175-C177 PolarHBondContact O-N 3.1Å; D175-C177 VanDerWaalsContact O-N 3.17Å; D175-C177 PolarHBondContact OD1-N 2.9Å; D175-C177 VanDerWaalsContact OD2-CB 3.22Å; D175-C177 WeakPolarHBondContact OD2-CB 3.24Å; D175-E178 HydrophobicContact CB-CB 4.1Å; D175-E178 PolarHBondContact O-N 3.31Å; D175-E178 VanDerWaalsContact O-N 3.11Å; D175-L179 PolarHBondContact O-N 3.43Å |
| 176 | M | 81.6 | Confident | 74.3 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 176.2 | -70.9 | 178.3 | 65.1 | 0 | 0 | 111.1 | W144 K180 V219 R220 F221 V226 F228 | W144-M176 HydrophobicContact CB-CE 4.36Å; M176-K180 WeakPolarHBondContact O-CB 3.35Å; M176-K180 PolarHBondContact O-N 2.77Å; M176-V219 HydrophobicContact CB-CG2 4.37Å; M176-V219 HydrophobicContact CG-CG2 3.47Å; M176-V219 VanDerWaalsContact CG-CG2 3.47Å; M176-R220 VanDerWaalsContact SD-O 3.37Å; M176-F221 HydrophobicContact SD-CB 4.23Å; M176-V226 HydrophobicContact CE-CG2 3.94Å; M176-F228 HydrophobicContact CB-CE1 4.49Å; M176-F228 HydrophobicContact CE-CE1 4.44Å; M176-F228 HydrophobicContact CE-CZ 4.38Å |
| 177 | C | 82.3 | Confident | 75.3 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 178.1 | -161.6 | 0 | 0 | 0 | 0 | 112.7 | C121 P164 D175 L179 K180 R181 | C121-C177 HydrophobicContact CB-CB 3.62Å; C121-C177 WeakPolarHBondContact CB-SG 3.37Å; C121-C177 WeakPolarHBondContact SG-CA 3.32Å; C121-C177 WeakPolarHBondContact SG-CB 3.33Å; C121-C177 CovalentContact SG-SG 2.01Å; C121-C177 PolarHBondContact SG-SG 3.4Å; P164-C177 VanDerWaalsContact CA-SG 3.53Å; P164-C177 HydrophobicContact CB-CB 4.48Å; D175-C177 PolarHBondContact O-N 3.1Å; D175-C177 VanDerWaalsContact O-N 3.17Å; D175-C177 PolarHBondContact OD1-N 2.9Å; D175-C177 VanDerWaalsContact OD2-CB 3.22Å; D175-C177 WeakPolarHBondContact OD2-CB 3.24Å; C177-L179 VanDerWaalsContact C-N 3.34Å; C177-K180 PolarHBondContact O-N 2.87Å; C177-R181 PolarHBondContact O-N 3.3Å |
| 178 | E | 83.2 | Confident | 76.5 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.9 | -173.9 | -178.5 | 176.2 | 0 | 0 | 110.6 | P165 A168 D175 K180 R181 D182 | P165-E178 HydrophobicContact CG-CB 4.17Å; A168-E178 WeakPolarHBondContact CA-OE1 3.23Å; A168-E178 WeakPolarHBondContact CB-OE1 3.4Å; D175-E178 HydrophobicContact CB-CB 4.1Å; D175-E178 PolarHBondContact O-N 3.31Å; D175-E178 VanDerWaalsContact O-N 3.11Å; E178-K180 PolarHBondContact O-N 2.92Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.47Å; E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 3.21Å |
| 179 | L | 86.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.5 | 176.9 | 59.2 | 0 | 0 | 0 | 112.3 | V174 D175 C177 R181 D182 L183 K215 L216 V219 F228 | V174-L179 HydrophobicContact CG1-CB 4Å; D175-L179 PolarHBondContact O-N 3.43Å; C177-L179 VanDerWaalsContact C-N 3.34Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 2.97Å; L179-D182 PolarHBondContact O-N 2.92Å; L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.29Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 2.93Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 3.36Å; L179-K215 HydrophobicContact CD1-CB 3.89Å; L179-L216 HydrophobicContact CD1-CD2 4.38Å; L179-L216 HydrophobicContact CD1-CG 4.27Å; L179-L216 HydrophobicContact CD2-CD2 3.86Å; L179-L216 HydrophobicContact CD2-CG 4.35Å; L179-V219 HydrophobicContact CD2-CB 4.11Å; L179-V219 HydrophobicContact CD2-CG1 4.42Å; L179-V219 HydrophobicContact CD2-CG2 4.1Å; L179-F228 HydrophobicContact CD2-CD2 4.39Å; L179-F228 HydrophobicContact CD2-CE1 4Å; L179-F228 HydrophobicContact CD2-CE2 3.84Å; L179-F228 HydrophobicContact CD2-CZ 3.64Å; L179-F228 HydrophobicContact CG-CE1 4.37Å; L179-F228 HydrophobicContact CG-CZ 4.49Å |
| 180 | K | 87 | Confident | 79.2 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.7 | -171.7 | 66.5 | 165.4 | 163.2 | 0 | 111.6 | L119 W143 M176 C177 E178 Q184 F228 E229 E230 | L119-K180 HydrophobicContact CD1-CG 3.9Å; L119-K180 HydrophobicContact CD2-CG 4.3Å; W143-K180 HydrophobicContact CE3-CD 4.26Å; W143-K180 HydrophobicContact CH2-CB 3.82Å; W143-K180 HydrophobicContact CH2-CD 4.06Å; W143-K180 HydrophobicContact CH2-CG 3.8Å; W143-K180 HydrophobicContact CZ2-CB 4.38Å; W143-K180 HydrophobicContact CZ2-CG 4.09Å; W143-K180 HydrophobicContact CZ3-CB 4.39Å; W143-K180 HydrophobicContact CZ3-CD 3.86Å; W143-K180 HydrophobicContact CZ3-CG 4.14Å; M176-K180 WeakPolarHBondContact O-CB 3.35Å; M176-K180 PolarHBondContact O-N 2.77Å; C177-K180 PolarHBondContact O-N 2.87Å; E178-K180 PolarHBondContact O-N 2.92Å; K180-Q184 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 PolarHBondContact O-N 2.9Å; K180-F228 HydrophobicContact CD-CD1 4.26Å; K180-E229 PolarHBondContact NZ-O 3.48Å; K180-E230 VanDerWaalsContact CD-OE1 3.28Å; K180-E230 WeakPolarHBondContact CD-OE1 3.44Å; K180-E230 WeakPolarHBondContact CE-OE1 3.45Å; K180-E230 IonicContact NZ-OE1 3.98Å; K180-E230 PolarHBondContact NZ-OE1 3.49Å |
| 181 | R | 86.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.9 | -173.7 | -161.1 | 66 | -177.1 | -4.6 | 111.6 | L119 P164 P165 C177 E178 L179 Q184 L185 | L119-R181 HydrophobicContact CD2-CB 3.8Å; L119-R181 HydrophobicContact CD2-CG 4.39Å; P164-R181 HydrophobicContact CB-CB 3.97Å; P164-R181 HydrophobicContact CB-CG 4.35Å; P164-R181 HydrophobicContact CG-CB 4.1Å; P164-R181 HydrophobicContact CG-CG 4.09Å; P165-R181 PolarHBondContact O-NH1 2.81Å; C177-R181 PolarHBondContact O-N 3.3Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 2.97Å; R181-Q184 WeakPolarHBondContact O-CB 2.97Å; R181-Q184 PolarHBondContact O-N 3.31Å; R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.45Å; R181-L185 PolarHBondContact O-N 3.1Å |
| 182 | D | 87.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | -178.7 | -68.8 | -5.2 | 0 | 0 | 0 | 111.6 | E178 L179 Q184 L185 L186 K215 | E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 3.21Å; L179-D182 PolarHBondContact O-N 2.92Å; D182-Q184 VanDerWaalsContact C-N 3.33Å; D182-Q184 PolarHBondContact O-N 3.12Å; D182-L185 PolarHBondContact O-N 3.37Å; D182-L186 WeakPolarHBondContact O-CB 3.37Å; D182-L186 PolarHBondContact O-N 3.31Å; D182-K215 IonicContact OD2-NZ 2.82Å; D182-K215 PolarHBondContact OD2-NZ 3.16Å |
| 183 | L | 89.1 | Confident | 82 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 170.4 | -77.2 | 172.6 | 0 | 0 | 0 | 112.1 | L179 L186 S187 L212 F228 E230 I233 | L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.29Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 2.93Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 3.36Å; L183-L186 PolarHBondContact O-N 3.06Å; L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 3.29Å; L183-L212 HydrophobicContact CD2-CD1 3.57Å; L183-L212 HydrophobicContact CG-CD1 4.4Å; L183-F228 HydrophobicContact CD1-CB 3.36Å; L183-F228 HydrophobicContact CD1-CD1 4.23Å; L183-F228 HydrophobicContact CD1-CG 3.84Å; L183-E230 HydrophobicContact CB-CG 4.02Å; L183-I233 HydrophobicContact CD2-CD1 3.66Å; L183-I233 HydrophobicContact CD2-CG1 4.26Å; L183-I233 HydrophobicContact CD2-CG2 4.27Å |
| 184 | Q | 86.8 | Confident | 81.8 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.8 | 178.5 | -172.4 | -23.1 | 0 | 0 | 111.4 | K180 R181 D182 L186 S187 Q188 | K180-Q184 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 PolarHBondContact O-N 2.9Å; R181-Q184 WeakPolarHBondContact O-CB 2.97Å; R181-Q184 PolarHBondContact O-N 3.31Å; D182-Q184 VanDerWaalsContact C-N 3.33Å; D182-Q184 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.33Å; Q184-S187 WeakPolarHBondContact O-CB 3.15Å; Q184-S187 PolarHBondContact O-N 3.39Å; Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 3.36Å |
| 185 | L | 87 | Confident | 81 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.1 | -71.7 | 172.2 | 0 | 0 | 0 | 111.1 | R181 D182 Q188 F189 | R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.45Å; R181-L185 PolarHBondContact O-N 3.1Å; D182-L185 PolarHBondContact O-N 3.37Å; L185-Q188 PolarHBondContact O-N 3.37Å; L185-F189 PolarHBondContact O-N 2.67Å |
| 186 | L | 88.7 | Confident | 79.5 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 174.5 | -174.5 | 58.8 | 0 | 0 | 0 | 111.4 | D182 L183 Q184 Q188 F189 L190 L212 I233 F293 L298 | D182-L186 WeakPolarHBondContact O-CB 3.37Å; D182-L186 PolarHBondContact O-N 3.31Å; L183-L186 PolarHBondContact O-N 3.06Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.33Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.09Å; L186-F189 HydrophobicContact CD1-CD1 4.29Å; L186-F189 WeakPolarHBondContact O-CB 3.39Å; L186-F189 PolarHBondContact O-N 3.38Å; L186-F189 VanDerWaalsContact O-N 3.13Å; L186-L190 HydrophobicContact CG-CD1 4.37Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-L212 HydrophobicContact CD2-CD2 4.03Å; L186-I233 HydrophobicContact CD2-CD1 3.74Å; L186-F293 HydrophobicContact CD2-CE1 4.46Å; L186-L298 HydrophobicContact CD1-CD1 4.37Å |
| 187 | S | 88.4 | Confident | 77.8 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L183 Q184 L190 K191 R232 | L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 3.29Å; Q184-S187 WeakPolarHBondContact O-CB 3.15Å; Q184-S187 PolarHBondContact O-N 3.39Å; S187-L190 PolarHBondContact O-N 3.32Å; S187-K191 WeakPolarHBondContact O-CG 3.34Å; S187-K191 PolarHBondContact O-N 3.08Å; S187-R232 PolarHBondContact OG-N 3.3Å; S187-R232 VanDerWaalsContact OG-N 3.16Å |
| 188 | Q | 86.3 | Confident | 75.9 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | -72.5 | 177.8 | -3.8 | 0 | 0 | 112.4 | Q184 L185 L186 K191 H192 | Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 PolarHBondContact O-N 3.37Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.09Å; Q188-K191 PolarHBondContact O-N 2.84Å; Q188-H192 PolarHBondContact O-N 3.28Å |
| 189 | F | 84 | Confident | 73.6 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 23% | 0.228 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 173.2 | 171 | -94.8 | 0 | 0 | 0 | 111.3 | L185 L186 K191 H192 A196 L298 | L185-F189 PolarHBondContact O-N 2.67Å; L186-F189 HydrophobicContact CD1-CD1 4.29Å; L186-F189 WeakPolarHBondContact O-CB 3.39Å; L186-F189 PolarHBondContact O-N 3.38Å; L186-F189 VanDerWaalsContact O-N 3.13Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.95Å; F189-H192 CarbonylContact O-C 3.47Å; F189-H192 VanDerWaalsContact O-C 3.23Å; F189-H192 PolarHBondContact O-N 2.81Å; F189-H192 VanDerWaalsContact O-N 3.1Å; F189-A196 HydrophobicContact CD2-CB 3.37Å; F189-A196 HydrophobicContact CE2-CB 3.38Å; F189-L298 HydrophobicContact CE1-CD2 4.05Å |
| 190 | L | 84.7 | Confident | 71.3 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62 | -34.2 | 177.7 | -67.5 | 174.2 | 0 | 0 | 0 | 112.8 | L186 S187 H192 R232 I233 F293 A297 L298 | L186-L190 HydrophobicContact CG-CD1 4.37Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.92Å; S187-L190 PolarHBondContact O-N 3.32Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.85Å; L190-R232 HydrophobicContact CB-CB 4.02Å; L190-R232 HydrophobicContact CB-CG 4.46Å; L190-R232 HydrophobicContact CD1-CB 4.21Å; L190-I233 HydrophobicContact CD1-CB 4.45Å; L190-F293 HydrophobicContact CD1-CD1 3.8Å; L190-F293 HydrophobicContact CD1-CE1 4.25Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; L190-L298 HydrophobicContact CD2-CD1 4.08Å; L190-L298 HydrophobicContact CD2-CG 3.83Å |
| 191 | K | 82.2 | Confident | 69.2 | Low | 86 Ų | 86 | 83.3 Ų | 83.3 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 174.2 | -75.1 | -175.5 | -176.8 | -174.5 | 0 | 112.8 | S187 Q188 F189 D231 R232 | S187-K191 WeakPolarHBondContact O-CG 3.34Å; S187-K191 PolarHBondContact O-N 3.08Å; Q188-K191 PolarHBondContact O-N 2.84Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.95Å; K191-D231 VanDerWaalsContact CE-CB 3.48Å; K191-D231 WeakPolarHBondContact CE-OD2 3.43Å; K191-D231 IonicContact NZ-OD2 3.74Å; K191-D231 PolarHBondContact NZ-OD2 3.39Å; K191-R232 HydrophobicContact CG-CG 3.59Å |
| 192 | H | 75 | Confident | 67.6 | Low | 106 Ų | 106 | 83.4 Ų | 83.4 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | trans | -135.8 | 65.9 | -170.8 | -66.3 | -13.5 | 0 | 0 | 0 | 112.3 | Q188 F189 L190 Q194 K195 | Q188-H192 PolarHBondContact O-N 3.28Å; F189-H192 CarbonylContact O-C 3.47Å; F189-H192 VanDerWaalsContact O-C 3.23Å; F189-H192 PolarHBondContact O-N 2.81Å; F189-H192 VanDerWaalsContact O-N 3.1Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.85Å; H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 PolarHBondContact O-N 3.27Å; H192-K195 HydrophobicContact CB-CB 4.43Å; H192-K195 HydrophobicContact CB-CD 4.45Å; H192-K195 PolarHBondContact O-N 2.85Å | ||
| 193 | P | 65.7 | Low | 66.4 | Low | 49 Ų | 49 | 84 Ų | 84 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | -176.1 | 22.7 | -32.6 | 0 | 0 | 0 | 112.5 | K195 A196 S197 A297 | P193-K195 PolarHBondContact O-N 3.47Å; P193-A196 PolarHBondContact O-N 3.02Å; P193-S197 PolarHBondContact O-N 3.39Å; P193-A297 HydrophobicContact CB-CB 4.15Å; P193-A297 HydrophobicContact CG-CB 4.4Å |
| 194 | Q | 58.7 | Low | 65.6 | Low | 165 Ų | 165 | 86.1 Ų | 86.1 | 77% | 0.771 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.1 | -29.1 | -177.9 | -66.2 | -156.4 | -21.7 | 0 | 0 | 114.8 | H192 A196 | H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 PolarHBondContact O-N 3.27Å; Q194-A196 VanDerWaalsContact C-N 3.26Å; Q194-A196 PolarHBondContact O-N 3.32Å |
| 195 | K | 52.1 | Low | 65 | Low | 165 Ų | 165 | 85.7 Ų | 85.7 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.5 | -24.9 | 176 | -79.2 | -178.6 | -179.4 | 171.5 | 0 | 111.9 | H192 P193 | H192-K195 HydrophobicContact CB-CB 4.43Å; H192-K195 HydrophobicContact CB-CD 4.45Å; H192-K195 PolarHBondContact O-N 2.85Å; P193-K195 PolarHBondContact O-N 3.47Å |
| 196 | A | 45.9 | Very low | 64.5 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -96.7 | -28.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F189 P193 Q194 R198 R199 | F189-A196 HydrophobicContact CD2-CB 3.37Å; F189-A196 HydrophobicContact CE2-CB 3.38Å; P193-A196 PolarHBondContact O-N 3.02Å; Q194-A196 VanDerWaalsContact C-N 3.26Å; Q194-A196 PolarHBondContact O-N 3.32Å; A196-R198 PolarHBondContact O-N 3.5Å; A196-R198 VanDerWaalsContact O-N 3.07Å; A196-R199 WeakPolarHBondContact O-CB 3.45Å; A196-R199 PolarHBondContact O-N 3.34Å |
| 197 | S | 46.3 | Very low | 64.2 | Low | 100 Ų | 100 | 86 Ų | 86 | 70% | 0.699 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -55.4 | -24.6 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 113.3 | P193 R199 | P193-S197 PolarHBondContact O-N 3.39Å; S197-R199 PolarHBondContact O-N 3.47Å |
| 198 | R | 41.5 | Very low | 63.9 | Low | 226 Ų | 226 | 88.1 Ų | 88.1 | 85% | 0.853 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.9 | 172.1 | -66.1 | -175.5 | -179 | 177.8 | -0.2 | 114.9 | A196 | A196-R198 PolarHBondContact O-N 3.5Å; A196-R198 VanDerWaalsContact O-N 3.07Å |
| 199 | R | 35 | Very low | 63.9 | Low | 189 Ų | 189 | 83.3 Ų | 83.3 | 71% | 0.713 | 44% | 0.438 | S | S | * | . | trans | -93.6 | 117.9 | 173 | -99.2 | 179 | 177.9 | 169.6 | -1 | 109.7 | A196 S197 S201 | A196-R199 WeakPolarHBondContact O-CB 3.45Å; A196-R199 PolarHBondContact O-N 3.34Å; S197-R199 PolarHBondContact O-N 3.47Å; R199-S201 PolarHBondContact O-N 2.93Å | ||
| 200 | P | 39 | Very low | 64 | Low | 140 Ų | 140 | 85.9 Ų | 85.9 | 91% | 0.909 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.2 | 177.5 | -22.2 | 32.3 | 0 | 0 | 0 | 115.3 | ||
| 201 | S | 42.5 | Very low | 64.1 | Low | 100 Ų | 100 | 88.1 Ų | 88.1 | 70% | 0.699 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 18.5 | -171.6 | 74 | 0 | 0 | 0 | 0 | 114.1 | R199 A203 | R199-S201 PolarHBondContact O-N 2.93Å; S201-A203 PolarHBondContact O-N 2.81Å |
| 202 | A | 53.5 | Low | 64.4 | Low | 55 Ų | 55 | 84.7 Ų | 84.7 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 116.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 203 | A | 63 | Low | 65.1 | Low | 41 Ų | 41 | 82 Ų | 82 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -56 | 140.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S201 Q207 Q208 | S201-A203 PolarHBondContact O-N 2.81Å; A203-Q207 HydrophobicContact CB-CB 4.34Å; A203-Q208 HydrophobicContact CB-CG 4.11Å |
| 204 | P | 70.7 | Confident | 66.2 | Low | 46 Ų | 46 | 82.6 Ų | 82.6 | 30% | 0.299 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 146.1 | 176.5 | 20.4 | -31.1 | 0 | 0 | 0 | 110.6 | S206 Q207 Q208 L355 | P204-S206 PolarHBondContact O-N 3.01Å; P204-S206 VanDerWaalsContact O-N 3.09Å; P204-Q207 HydrophobicContact CG-CB 4.17Å; P204-Q207 HydrophobicContact CG-CG 3.81Å; P204-Q207 WeakPolarHBondContact O-CB 3.28Å; P204-Q207 PolarHBondContact O-N 3.42Å; P204-Q208 PolarHBondContact O-N 3.08Å; P204-L355 HydrophobicContact CG-CD2 4.45Å |
| 205 | A | 74.7 | Confident | 67.6 | Low | 30 Ų | 30 | 77.3 Ų | 77.3 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -52.9 | -36.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q207 Q208 L209 L298 | A205-Q207 PolarHBondContact O-N 2.99Å; A205-Q208 WeakPolarHBondContact O-CB 3.43Å; A205-Q208 PolarHBondContact O-N 2.75Å; A205-Q208 VanDerWaalsContact O-N 3.17Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.48Å; A205-L298 HydrophobicContact CB-CB 4.34Å; A205-L298 HydrophobicContact CB-CD2 4.21Å; A205-L298 WeakPolarHBondContact CB-O 3.29Å |
| 206 | S | 77.5 | Confident | 69.3 | Low | 30 Ų | 30 | 69.4 Ų | 69.4 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | P204 Q208 L209 Q210 E351 | P204-S206 PolarHBondContact O-N 3.01Å; P204-S206 VanDerWaalsContact O-N 3.09Å; S206-Q208 VanDerWaalsContact C-N 3.31Å; S206-Q208 PolarHBondContact O-N 3.39Å; S206-L209 PolarHBondContact O-N 2.93Å; S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-N 2.9Å; S206-E351 WeakPolarHBondContact CB-OE2 3.28Å |
| 207 | Q | 81.4 | Confident | 71.2 | Confident | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 175.8 | -74.1 | 179 | 3.9 | 0 | 0 | 111.7 | A203 P204 A205 S211 | A203-Q207 HydrophobicContact CB-CB 4.34Å; P204-Q207 HydrophobicContact CG-CB 4.17Å; P204-Q207 HydrophobicContact CG-CG 3.81Å; P204-Q207 WeakPolarHBondContact O-CB 3.28Å; P204-Q207 PolarHBondContact O-N 3.42Å; A205-Q207 PolarHBondContact O-N 2.99Å; Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.37Å |
| 208 | Q | 82.3 | Confident | 73.1 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 23% | 0.229 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 176.4 | -63.8 | -176.9 | -51.3 | 0 | 0 | 111.5 | A203 P204 A205 S206 S211 L212 | A203-Q208 HydrophobicContact CB-CG 4.11Å; P204-Q208 PolarHBondContact O-N 3.08Å; A205-Q208 WeakPolarHBondContact O-CB 3.43Å; A205-Q208 PolarHBondContact O-N 2.75Å; A205-Q208 VanDerWaalsContact O-N 3.17Å; S206-Q208 VanDerWaalsContact C-N 3.31Å; S206-Q208 PolarHBondContact O-N 3.39Å; Q208-S211 PolarHBondContact O-N 3.33Å; Q208-L212 VanDerWaalsContact O-CB 3.27Å; Q208-L212 WeakPolarHBondContact O-CB 2.92Å; Q208-L212 PolarHBondContact O-N 2.86Å |
| 209 | L | 86.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 176.6 | -68.2 | 173.2 | 0 | 0 | 0 | 111.4 | A205 S206 S211 L212 E213 F293 L298 F299 Y384 | A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.48Å; S206-L209 PolarHBondContact O-N 2.93Å; L209-S211 PolarHBondContact O-N 3.45Å; L209-L212 WeakPolarHBondContact O-CB 3.47Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-L212 VanDerWaalsContact O-N 3.1Å; L209-E213 WeakPolarHBondContact O-CG 3.21Å; L209-E213 PolarHBondContact O-N 2.96Å; L209-F293 HydrophobicContact CD2-CE2 4.18Å; L209-F293 HydrophobicContact CD2-CZ 3.78Å; L209-L298 HydrophobicContact CD2-CD1 4.14Å; L209-F299 HydrophobicContact CD1-CD1 4.5Å; L209-F299 HydrophobicContact CD1-CE1 3.63Å; L209-F299 HydrophobicContact CD1-CZ 4.03Å; L209-F299 HydrophobicContact CD2-CE1 4.39Å; L209-F299 HydrophobicContact CD2-CZ 3.94Å; L209-Y384 HydrophobicContact CD1-CD2 4.49Å; L209-Y384 HydrophobicContact CD1-CE2 4.15Å; L209-Y384 HydrophobicContact CD2-CE1 4.05Å; L209-Y384 HydrophobicContact CD2-CE2 4.5Å |
| 210 | Q | 86.1 | Confident | 77.4 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177 | -70.4 | 171.8 | 15 | 0 | 0 | 112.2 | S206 L212 E213 S214 E351 | S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-N 2.9Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.07Å; Q210-E213 PolarHBondContact O-N 3.42Å; Q210-S214 WeakPolarHBondContact O-CB 3.33Å; Q210-S214 PolarHBondContact O-N 2.86Å; Q210-S214 PolarHBondContact O-OG 2.64Å; Q210-E351 PolarHBondContact NE2-OE2 3.47Å |
| 211 | S | 86.4 | Confident | 79.5 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | Q207 Q208 L209 S214 K215 | Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.37Å; Q208-S211 PolarHBondContact O-N 3.33Å; L209-S211 PolarHBondContact O-N 3.45Å; S211-S214 PolarHBondContact O-N 3.37Å; S211-S214 PolarHBondContact O-OG 2.86Å; S211-K215 WeakPolarHBondContact O-CG 3.17Å; S211-K215 PolarHBondContact O-N 2.95Å; S211-K215 VanDerWaalsContact O-N 3.1Å |
| 212 | L | 88.5 | Confident | 81.1 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 179.4 | 177.7 | 63.3 | 0 | 0 | 0 | 111.4 | L183 L186 Q208 L209 Q210 S214 K215 L216 I233 V291 F293 | L183-L212 HydrophobicContact CD2-CD1 3.57Å; L183-L212 HydrophobicContact CG-CD1 4.4Å; L186-L212 HydrophobicContact CD2-CD2 4.03Å; Q208-L212 VanDerWaalsContact O-CB 3.27Å; Q208-L212 WeakPolarHBondContact O-CB 2.92Å; Q208-L212 PolarHBondContact O-N 2.86Å; L209-L212 WeakPolarHBondContact O-CB 3.47Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-L212 VanDerWaalsContact O-N 3.1Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.07Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.48Å; L212-K215 PolarHBondContact O-N 3.44Å; L212-L216 HydrophobicContact CD1-CD1 3.66Å; L212-L216 HydrophobicContact CD1-CG 4.27Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; L212-L216 HydrophobicContact CG-CD1 3.68Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CD1 2.93Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.46Å; L212-I233 HydrophobicContact CD2-CD1 3.88Å; L212-V291 HydrophobicContact CD2-CG1 4.38Å; L212-F293 HydrophobicContact CD2-CZ 3.95Å |
| 213 | E | 90 | Very high | 82.3 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 175.4 | -71.5 | 179.3 | -173.2 | 0 | 0 | 111.6 | L209 Q210 K215 L216 T217 L289 Y384 | L209-E213 WeakPolarHBondContact O-CG 3.21Å; L209-E213 PolarHBondContact O-N 2.96Å; Q210-E213 PolarHBondContact O-N 3.42Å; E213-K215 PolarHBondContact O-N 2.85Å; E213-L216 PolarHBondContact O-N 3.19Å; E213-T217 WeakPolarHBondContact O-CB 3.26Å; E213-T217 VanDerWaalsContact O-CG2 3.25Å; E213-T217 WeakPolarHBondContact O-CG2 3.22Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 3.4Å; E213-L289 HydrophobicContact CB-CD2 4.45Å; E213-L289 HydrophobicContact CG-CD2 4.07Å; E213-Y384 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y384 PolarHBondContact OE1-OH 3.18Å |
| 214 | S | 88.4 | Confident | 83.3 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | Q210 S211 L212 T217 S218 | Q210-S214 WeakPolarHBondContact O-CB 3.33Å; Q210-S214 PolarHBondContact O-N 2.86Å; Q210-S214 PolarHBondContact O-OG 2.64Å; S211-S214 PolarHBondContact O-N 3.37Å; S211-S214 PolarHBondContact O-OG 2.86Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.48Å; S214-T217 PolarHBondContact O-OG1 3.35Å; S214-T217 VanDerWaalsContact O-OG1 3.08Å; S214-S218 WeakPolarHBondContact O-CB 3.3Å; S214-S218 PolarHBondContact O-N 2.96Å; S214-S218 VanDerWaalsContact O-N 3.15Å; S214-S218 PolarHBondContact O-OG 3.07Å |
| 215 | K | 88.3 | Confident | 84.1 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -46.6 | 179.1 | -71.3 | -179.8 | 174.2 | -175.4 | 0 | 111.2 | V174 L179 D182 S211 L212 E213 T217 S218 V219 | V174-K215 HydrophobicContact CG2-CG 4.38Å; L179-K215 HydrophobicContact CD1-CB 3.89Å; D182-K215 IonicContact OD2-NZ 2.82Å; D182-K215 PolarHBondContact OD2-NZ 3.16Å; S211-K215 WeakPolarHBondContact O-CG 3.17Å; S211-K215 PolarHBondContact O-N 2.95Å; S211-K215 VanDerWaalsContact O-N 3.1Å; L212-K215 PolarHBondContact O-N 3.44Å; E213-K215 PolarHBondContact O-N 2.85Å; K215-T217 VanDerWaalsContact C-N 3.32Å; K215-T217 PolarHBondContact O-N 2.93Å; K215-S218 PolarHBondContact O-N 2.62Å; K215-S218 VanDerWaalsContact O-N 3.16Å; K215-S218 PolarHBondContact O-OG 3.09Å; K215-V219 PolarHBondContact O-N 3.08Å |
| 216 | L | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.5 | -77 | 159.3 | 0 | 0 | 0 | 112.4 | L179 L212 E213 S218 V219 F228 A235 V237 L289 V291 | L179-L216 HydrophobicContact CD1-CD2 4.38Å; L179-L216 HydrophobicContact CD1-CG 4.27Å; L179-L216 HydrophobicContact CD2-CD2 3.86Å; L179-L216 HydrophobicContact CD2-CG 4.35Å; L212-L216 HydrophobicContact CD1-CD1 3.66Å; L212-L216 HydrophobicContact CD1-CG 4.27Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; L212-L216 HydrophobicContact CG-CD1 3.68Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CD1 2.93Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.46Å; E213-L216 PolarHBondContact O-N 3.19Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.11Å; L216-V219 VanDerWaalsContact O-CG1 3.24Å; L216-V219 WeakPolarHBondContact O-CG1 3.48Å; L216-F228 HydrophobicContact CD2-CD2 3.93Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; L216-A235 HydrophobicContact CD1-CB 3.91Å; L216-A235 HydrophobicContact CD2-CB 3.77Å; L216-V237 HydrophobicContact CB-CG2 4.12Å; L216-V237 HydrophobicContact CD2-CG2 3.82Å; L216-L289 HydrophobicContact CB-CD1 4.05Å; L216-L289 HydrophobicContact CB-CD2 4.28Å; L216-L289 HydrophobicContact CD1-CD1 3.67Å; L216-L289 HydrophobicContact CD1-CD2 3.94Å; L216-L289 HydrophobicContact CD1-CG 4.46Å; L216-L289 HydrophobicContact CD2-CD1 4.35Å; L216-L289 HydrophobicContact CG-CD1 4.25Å; L216-V291 HydrophobicContact CD1-CG2 4.18Å |
| 217 | T | 86.1 | Confident | 85.1 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76 | -15.7 | 178.7 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | E213 S214 K215 R287 Q318 | E213-T217 WeakPolarHBondContact O-CB 3.26Å; E213-T217 VanDerWaalsContact O-CG2 3.25Å; E213-T217 WeakPolarHBondContact O-CG2 3.22Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 3.4Å; S214-T217 PolarHBondContact O-OG1 3.35Å; S214-T217 VanDerWaalsContact O-OG1 3.08Å; K215-T217 VanDerWaalsContact C-N 3.32Å; K215-T217 PolarHBondContact O-N 2.93Å; T217-R287 VanDerWaalsContact O-CD 3.31Å; T217-R287 WeakPolarHBondContact O-CD 3.5Å; T217-R287 PolarHBondContact O-NH1 3.49Å; T217-Q318 HydrophobicContact CG2-CB 3.88Å; T217-Q318 HydrophobicContact CG2-CG 3.9Å; T217-Q318 PolarHBondContact O-NE2 3.21Å |
| 218 | S | 85.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.7 | -12.7 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 115 | V174 S214 K215 L216 | V174-S218 WeakPolarHBondContact CG2-OG 3.32Å; S214-S218 WeakPolarHBondContact O-CB 3.3Å; S214-S218 PolarHBondContact O-N 2.96Å; S214-S218 VanDerWaalsContact O-N 3.15Å; S214-S218 PolarHBondContact O-OG 3.07Å; K215-S218 PolarHBondContact O-N 2.62Å; K215-S218 VanDerWaalsContact O-N 3.16Å; K215-S218 PolarHBondContact O-OG 3.09Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.11Å |
| 219 | V | 85 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -66 | 141.7 | -173.2 | 74.3 | 0 | 0 | 0 | 0 | 113 | M176 L179 K215 L216 F221 F228 R287 | M176-V219 HydrophobicContact CB-CG2 4.37Å; M176-V219 HydrophobicContact CG-CG2 3.47Å; M176-V219 VanDerWaalsContact CG-CG2 3.47Å; L179-V219 HydrophobicContact CD2-CB 4.11Å; L179-V219 HydrophobicContact CD2-CG1 4.42Å; L179-V219 HydrophobicContact CD2-CG2 4.1Å; K215-V219 PolarHBondContact O-N 3.08Å; L216-V219 VanDerWaalsContact O-CG1 3.24Å; L216-V219 WeakPolarHBondContact O-CG1 3.48Å; V219-F221 HydrophobicContact CG1-CD1 3.93Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; V219-F228 HydrophobicContact CG1-CE2 4.46Å; V219-F228 HydrophobicContact CG1-CZ 4.46Å; V219-F228 HydrophobicContact CG2-CZ 4.2Å; V219-R287 VanDerWaalsContact O-CZ 3.28Å; V219-R287 PolarHBondContact O-NH1 3.07Å; V219-R287 PolarHBondContact O-NH2 3.18Å | ||
| 220 | R | 81.8 | Confident | 85.7 | Confident | 181 Ų | 181 | 54.6 Ų | 54.6 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | trans | -101 | 130 | 174.9 | -70.5 | -177.7 | 179 | 170.2 | 0.1 | 110 | M176 | M176-R220 VanDerWaalsContact SD-O 3.37Š| ||
| 221 | F | 82.5 | Confident | 85.7 | Confident | 21 Ų | 21 | 53 Ų | 53 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -145.8 | 154.6 | 177.8 | 57.8 | -85.9 | 0 | 0 | 0 | 110.5 | M176 V219 V226 V237 K239 | M176-F221 HydrophobicContact SD-CB 4.23Å; V219-F221 HydrophobicContact CG1-CD1 3.93Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; F221-V226 HydrophobicContact CB-CB 4.16Å; F221-V226 HydrophobicContact CB-CG1 4.2Å; F221-V226 HydrophobicContact CD1-CB 4.24Å; F221-V226 HydrophobicContact CD1-CG1 3.46Å; F221-V226 VanDerWaalsContact CD1-CG1 3.46Å; F221-V226 HydrophobicContact CD2-CB 3.85Å; F221-V226 HydrophobicContact CD2-CG1 3.89Å; F221-V226 HydrophobicContact CE1-CG1 3.62Å; F221-V226 HydrophobicContact CE2-CB 4.26Å; F221-V226 HydrophobicContact CE2-CG1 4.05Å; F221-V226 HydrophobicContact CG-CB 3.83Å; F221-V226 HydrophobicContact CG-CG1 3.58Å; F221-V226 HydrophobicContact CZ-CG1 3.91Å; F221-V237 HydrophobicContact CE1-CB 4.37Å; F221-V237 HydrophobicContact CE1-CG1 4.01Å; F221-V237 HydrophobicContact CZ-CB 4.48Å; F221-V237 HydrophobicContact CZ-CG1 4.18Å; F221-K239 HydrophobicContact CE2-CD 4.27Å; F221-K239 HydrophobicContact CE2-CG 4.05Å; F221-K239 HydrophobicContact CZ-CD 4.37Å; F221-K239 HydrophobicContact CZ-CG 3.78Å; F221-K239 PolarHBondContact O-NZ 3.41Å | ||
| 222 | M | 76 | Confident | 85.8 | Confident | 185 Ų | 185 | 55.1 Ų | 55.1 | 91% | 0.911 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -82.9 | 147.4 | 172.7 | -62.1 | -163.4 | 74.5 | 0 | 0 | 110.3 | ||
| 223 | G | 80 | Confident | 85.9 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 84.4 | -171 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K239 | G223-K239 WeakPolarHBondContact O-CD 3.24Å; G223-K239 WeakPolarHBondContact O-CE 3.32Å; G223-K239 PolarHBondContact O-NZ 2.86Å |
| 224 | D | 83.7 | Confident | 86 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -93.7 | -18.3 | -172.7 | -63.5 | -38.1 | 0 | 0 | 0 | 113.7 | W238 K239 Q241 | D224-W238 CarbonylContact O-C 3.55Å; D224-W238 WeakPolarHBondContact O-CA 3.44Å; D224-K239 PolarHBondContact O-N 3.33Å; D224-Q241 PolarHBondContact OD1-NE2 3.48Å; D224-Q241 PolarHBondContact OD2-NE2 3.49Å |
| 225 | M | 86.2 | Confident | 86.2 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148.6 | -178.2 | -165.7 | -161 | -40.2 | 0 | 0 | 111.7 | T236 V237 W238 | M225-T236 HydrophobicContact CG-CG2 3.57Å; M225-T236 HydrophobicContact SD-CG2 3.33Å; M225-T236 WeakPolarHBondContact SD-CG2 3.38Å; M225-V237 CarbonylContact C-O 3.41Å; M225-V237 VanDerWaalsContact CA-O 3.22Å; M225-V237 WeakPolarHBondContact CA-O 3.34Å; M225-V237 WeakPolarHBondContact CG-O 3.25Å; M225-W238 HydrophobicContact CB-CG 4.39Å; M225-W238 HydrophobicContact CE-CZ2 4.14Å; M225-W238 HydrophobicContact CG-CD2 3.88Å; M225-W238 HydrophobicContact CG-CG 3.83Å; M225-W238 HydrophobicContact CG-CZ2 4.38Å; M225-W238 HydrophobicContact SD-CD2 4.19Å; M225-W238 HydrophobicContact SD-CZ2 3.63Å; M225-W238 PolarHBondContact SD-NE1 3.03Å; M225-W238 VanDerWaalsContact SD-NE1 3.38Å |
| 226 | V | 87 | Confident | 86.3 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.9 | 168.2 | 63.3 | 0 | 0 | 0 | 0 | 110 | M176 F221 F228 T236 V237 | M176-V226 HydrophobicContact CE-CG2 3.94Å; F221-V226 HydrophobicContact CB-CB 4.16Å; F221-V226 HydrophobicContact CB-CG1 4.2Å; F221-V226 HydrophobicContact CD1-CB 4.24Å; F221-V226 HydrophobicContact CD1-CG1 3.46Å; F221-V226 VanDerWaalsContact CD1-CG1 3.46Å; F221-V226 HydrophobicContact CD2-CB 3.85Å; F221-V226 HydrophobicContact CD2-CG1 3.89Å; F221-V226 HydrophobicContact CE1-CG1 3.62Å; F221-V226 HydrophobicContact CE2-CB 4.26Å; F221-V226 HydrophobicContact CE2-CG1 4.05Å; F221-V226 HydrophobicContact CG-CB 3.83Å; F221-V226 HydrophobicContact CG-CG1 3.58Å; F221-V226 HydrophobicContact CZ-CG1 3.91Å; V226-F228 HydrophobicContact CG1-CE2 3.72Å; V226-F228 HydrophobicContact CG1-CZ 4.24Å; V226-F228 HydrophobicContact CG2-CE2 4.03Å; V226-F228 HydrophobicContact CG2-CZ 4.04Å; V226-T236 WeakPolarHBondContact O-CA 3.31Å; V226-V237 HydrophobicContact CG1-CB 4.06Å; V226-V237 PolarHBondContact N-O 3.39Å; V226-V237 PolarHBondContact O-N 3.02Å |
| 227 | S | 87.7 | Confident | 86.4 | Confident | 46 Ų | 46 | 50 Ų | 50 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.1 | 174 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | A235 | S227-A235 CarbonylContact C-O 3.57Å; S227-A235 WeakPolarHBondContact CA-O 3.37Å |
| 228 | F | 88.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 99.6 | 175.7 | -60.7 | -90.2 | 0 | 0 | 0 | 107.9 | W143 M176 L179 K180 L183 L216 V219 V226 N234 A235 | W143-F228 HydrophobicContact CZ3-CD1 4.12Å; W143-F228 HydrophobicContact CZ3-CE1 4.16Å; M176-F228 HydrophobicContact CB-CE1 4.49Å; M176-F228 HydrophobicContact CE-CE1 4.44Å; M176-F228 HydrophobicContact CE-CZ 4.38Å; L179-F228 HydrophobicContact CD2-CD2 4.39Å; L179-F228 HydrophobicContact CD2-CE1 4Å; L179-F228 HydrophobicContact CD2-CE2 3.84Å; L179-F228 HydrophobicContact CD2-CZ 3.64Å; L179-F228 HydrophobicContact CG-CE1 4.37Å; L179-F228 HydrophobicContact CG-CZ 4.49Å; K180-F228 HydrophobicContact CD-CD1 4.26Å; L183-F228 HydrophobicContact CD1-CB 3.36Å; L183-F228 HydrophobicContact CD1-CD1 4.23Å; L183-F228 HydrophobicContact CD1-CG 3.84Å; L216-F228 HydrophobicContact CD2-CD2 3.93Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; V219-F228 HydrophobicContact CG1-CE2 4.46Å; V219-F228 HydrophobicContact CG1-CZ 4.46Å; V219-F228 HydrophobicContact CG2-CZ 4.2Å; V226-F228 HydrophobicContact CG1-CE2 3.72Å; V226-F228 HydrophobicContact CG1-CZ 4.24Å; V226-F228 HydrophobicContact CG2-CE2 4.03Å; V226-F228 HydrophobicContact CG2-CZ 4.04Å; F228-N234 WeakPolarHBondContact O-CA 3.42Å; F228-A235 HydrophobicContact CB-CB 4.5Å; F228-A235 PolarHBondContact N-O 3.33Å; F228-A235 PolarHBondContact O-N 3.48Å |
| 229 | E | 85.6 | Confident | 86.5 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.2 | -176.9 | -39.4 | -175.5 | 164.2 | 0 | 0 | 110.5 | R29 K180 N234 R254 | R29-E229 IonicContact NE-OE2 3.84Å; R29-E229 PolarHBondContact NE-OE2 2.79Å; R29-E229 VanDerWaalsContact NH2-CA 3.33Å; R29-E229 PolarHBondContact NH2-O 3.47Å; R29-E229 IonicContact NH2-OE2 3.7Å; K180-E229 PolarHBondContact NZ-O 3.48Å; E229-N234 VanDerWaalsContact CA-OD1 3.27Å; E229-N234 WeakPolarHBondContact CA-OD1 3.22Å; E229-N234 WeakPolarHBondContact CB-OD1 3.45Å; E229-R254 IonicContact OE1-NH1 2.91Å; E229-R254 PolarHBondContact OE1-NH1 3.37Å; E229-R254 IonicContact OE2-NH1 3.8Å |
| 230 | E | 88.4 | Confident | 86.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | trans | -124.7 | 172.1 | 167.8 | -63.9 | -62.2 | 135 | 0 | 0 | 110.6 | R29 R96 K180 L183 R232 I233 N234 | R29-E230 PolarHBondContact NH1-O 2.89Å; R29-E230 PolarHBondContact NH2-O 3.02Å; R96-E230 IonicContact CZ-OE1 3.26Å; R96-E230 IonicContact CZ-OE2 2.94Å; R96-E230 IonicContact NH1-OE2 2.77Å; R96-E230 PolarHBondContact NH1-OE2 3.41Å; R96-E230 VanDerWaalsContact NH2-CD 3.3Å; R96-E230 IonicContact NH2-OE1 3.42Å; R96-E230 PolarHBondContact NH2-OE1 3.36Å; R96-E230 IonicContact NH2-OE2 3.66Å; R96-E230 PolarHBondContact NH2-OE2 3.43Å; K180-E230 VanDerWaalsContact CD-OE1 3.28Å; K180-E230 WeakPolarHBondContact CD-OE1 3.44Å; K180-E230 WeakPolarHBondContact CE-OE1 3.45Å; K180-E230 IonicContact NZ-OE1 3.98Å; K180-E230 PolarHBondContact NZ-OE1 3.49Å; L183-E230 HydrophobicContact CB-CG 4.02Å; E230-R232 PolarHBondContact O-N 2.9Å; E230-I233 CarbonylContact C-O 3.47Å; E230-I233 WeakPolarHBondContact CA-O 3.14Å; E230-I233 HydrophobicContact CB-CG2 3.75Å; E230-I233 WeakPolarHBondContact CB-O 3.24Å; E230-I233 HydrophobicContact CG-CG2 4.32Å; E230-I233 PolarHBondContact N-O 2.92Å; E230-N234 PolarHBondContact N-OD1 3.34Å; E230-N234 PolarHBondContact O-OD1 2.93Å; E230-N234 VanDerWaalsContact O-OD1 3.1Å | ||
| 231 | D | 85.3 | Confident | 85.9 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -62.5 | -35.3 | -170.8 | -68.4 | -19.7 | 0 | 0 | 0 | 115.9 | R29 H97 K191 | R29-D231 IonicContact NH1-OD1 3.05Å; R29-D231 PolarHBondContact NH1-OD1 3.39Å; H97-D231 IonicContact CD2-OD1 3.46Å; H97-D231 PolarHBondContact CD2-OD1 2.92Å; H97-D231 IonicContact CD2-OD2 3.59Å; H97-D231 IonicContact NE2-OD1 2.92Å; K191-D231 VanDerWaalsContact CE-CB 3.48Å; K191-D231 WeakPolarHBondContact CE-OD2 3.43Å; K191-D231 IonicContact NZ-OD2 3.74Å; K191-D231 PolarHBondContact NZ-OD2 3.39Å |
| 232 | R | 87.6 | Confident | 85.1 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -115.7 | -0.1 | -178.9 | -67 | -65.6 | -171.6 | 167.9 | -3.9 | 113.2 | S187 L190 K191 E230 S294 | S187-R232 PolarHBondContact OG-N 3.3Å; S187-R232 VanDerWaalsContact OG-N 3.16Å; L190-R232 HydrophobicContact CB-CB 4.02Å; L190-R232 HydrophobicContact CB-CG 4.46Å; L190-R232 HydrophobicContact CD1-CB 4.21Å; K191-R232 HydrophobicContact CG-CG 3.59Å; E230-R232 PolarHBondContact O-N 2.9Å; R232-S294 WeakPolarHBondContact CD-O 3.37Å; R232-S294 PolarHBondContact NH1-O 3.36Å; R232-S294 PolarHBondContact O-N 3.29Å |
| 233 | I | 91.2 | Very high | 84.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 127.4 | -176.4 | -172.3 | 170.7 | 0 | 0 | 0 | 110.2 | L183 L186 L190 L212 E230 V291 D292 F293 | L183-I233 HydrophobicContact CD2-CD1 3.66Å; L183-I233 HydrophobicContact CD2-CG1 4.26Å; L183-I233 HydrophobicContact CD2-CG2 4.27Å; L186-I233 HydrophobicContact CD2-CD1 3.74Å; L190-I233 HydrophobicContact CD1-CB 4.45Å; L212-I233 HydrophobicContact CD2-CD1 3.88Å; E230-I233 CarbonylContact C-O 3.47Å; E230-I233 WeakPolarHBondContact CA-O 3.14Å; E230-I233 HydrophobicContact CB-CG2 3.75Å; E230-I233 WeakPolarHBondContact CB-O 3.24Å; E230-I233 HydrophobicContact CG-CG2 4.32Å; E230-I233 PolarHBondContact N-O 2.92Å; I233-V291 HydrophobicContact CD1-CG1 3.99Å; I233-V291 HydrophobicContact CG1-CG1 3.89Å; I233-D292 CarbonylContact C-O 3.46Å; I233-D292 VanDerWaalsContact CA-O 3.28Å; I233-D292 WeakPolarHBondContact CA-O 3.46Å; I233-F293 HydrophobicContact CB-CD1 4.43Å; I233-F293 HydrophobicContact CD1-CD1 3.93Å; I233-F293 HydrophobicContact CD1-CE1 3.36Å; I233-F293 HydrophobicContact CD1-CZ 3.89Å; I233-F293 HydrophobicContact CG1-CD1 4.07Å; I233-F293 HydrophobicContact CG1-CE1 3.99Å |
| 234 | N | 91.5 | Very high | 83.7 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.4 | 172.1 | -64.6 | -33.2 | 0 | 0 | 0 | 108.3 | R29 F228 E229 E230 V291 D292 | R29-N234 PolarHBondContact NH2-OD1 3.04Å; R29-N234 VanDerWaalsContact NH2-OD1 3.13Å; F228-N234 WeakPolarHBondContact O-CA 3.42Å; E229-N234 VanDerWaalsContact CA-OD1 3.27Å; E229-N234 WeakPolarHBondContact CA-OD1 3.22Å; E229-N234 WeakPolarHBondContact CB-OD1 3.45Å; E230-N234 PolarHBondContact N-OD1 3.34Å; E230-N234 PolarHBondContact O-OD1 2.93Å; E230-N234 VanDerWaalsContact O-OD1 3.1Å; N234-V291 CarbonylContact O-C 3.55Å; N234-V291 WeakPolarHBondContact O-CA 3.29Å; N234-D292 HydrophobicContact CB-CB 4.2Å; N234-D292 PolarHBondContact N-O 3.41Å; N234-D292 PolarHBondContact O-N 2.95Å |
| 235 | A | 92.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L216 S227 F228 L290 V291 | L216-A235 HydrophobicContact CD1-CB 3.91Å; L216-A235 HydrophobicContact CD2-CB 3.77Å; S227-A235 CarbonylContact C-O 3.57Å; S227-A235 WeakPolarHBondContact CA-O 3.37Å; F228-A235 HydrophobicContact CB-CB 4.5Å; F228-A235 PolarHBondContact N-O 3.33Å; F228-A235 PolarHBondContact O-N 3.48Å; A235-L290 CarbonylContact C-O 3.51Å; A235-L290 WeakPolarHBondContact CA-O 3.27Å; A235-V291 HydrophobicContact CB-CG1 4.47Å; A235-V291 HydrophobicContact CB-CG2 4.32Å |
| 236 | T | 91.3 | Very high | 81.8 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.2 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | M225 V226 W238 L290 | M225-T236 HydrophobicContact CG-CG2 3.57Å; M225-T236 HydrophobicContact SD-CG2 3.33Å; M225-T236 WeakPolarHBondContact SD-CG2 3.38Å; V226-T236 WeakPolarHBondContact O-CA 3.31Å; T236-W238 VanDerWaalsContact CB-CZ3 3.47Å; T236-W238 HydrophobicContact CG2-CD2 4.17Å; T236-W238 HydrophobicContact CG2-CE3 3.94Å; T236-W238 HydrophobicContact CG2-CH2 3.2Å; T236-W238 HydrophobicContact CG2-CZ2 3.46Å; T236-W238 VanDerWaalsContact CG2-CZ2 3.46Å; T236-W238 HydrophobicContact CG2-CZ3 3.47Å; T236-W238 VanDerWaalsContact CG2-CZ3 3.47Å; T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; T236-L290 PolarHBondContact N-O 3.45Å; T236-L290 PolarHBondContact O-N 3.4Å |
| 237 | V | 91 | Very high | 81.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.9 | -177.5 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | L216 F221 M225 V226 R287 L288 L289 | L216-V237 HydrophobicContact CB-CG2 4.12Å; L216-V237 HydrophobicContact CD2-CG2 3.82Å; F221-V237 HydrophobicContact CE1-CB 4.37Å; F221-V237 HydrophobicContact CE1-CG1 4.01Å; F221-V237 HydrophobicContact CZ-CB 4.48Å; F221-V237 HydrophobicContact CZ-CG1 4.18Å; M225-V237 CarbonylContact C-O 3.41Å; M225-V237 VanDerWaalsContact CA-O 3.22Å; M225-V237 WeakPolarHBondContact CA-O 3.34Å; M225-V237 WeakPolarHBondContact CG-O 3.25Å; V226-V237 HydrophobicContact CG1-CB 4.06Å; V226-V237 PolarHBondContact N-O 3.39Å; V226-V237 PolarHBondContact O-N 3.02Å; V237-R287 HydrophobicContact CG1-CB 4.28Å; V237-L288 WeakPolarHBondContact CA-O 3.41Å; V237-L289 HydrophobicContact CG2-CD1 3.91Å |
| 238 | W | 88.3 | Confident | 81.3 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.3 | 174.2 | -65.6 | -107.9 | 0 | 0 | 0 | 110.8 | D224 M225 T236 I251 R287 L288 L290 | D224-W238 CarbonylContact O-C 3.55Å; D224-W238 WeakPolarHBondContact O-CA 3.44Å; M225-W238 HydrophobicContact CB-CG 4.39Å; M225-W238 HydrophobicContact CE-CZ2 4.14Å; M225-W238 HydrophobicContact CG-CD2 3.88Å; M225-W238 HydrophobicContact CG-CG 3.83Å; M225-W238 HydrophobicContact CG-CZ2 4.38Å; M225-W238 HydrophobicContact SD-CD2 4.19Å; M225-W238 HydrophobicContact SD-CZ2 3.63Å; M225-W238 PolarHBondContact SD-NE1 3.03Å; M225-W238 VanDerWaalsContact SD-NE1 3.38Å; T236-W238 VanDerWaalsContact CB-CZ3 3.47Å; T236-W238 HydrophobicContact CG2-CD2 4.17Å; T236-W238 HydrophobicContact CG2-CE3 3.94Å; T236-W238 HydrophobicContact CG2-CH2 3.2Å; T236-W238 HydrophobicContact CG2-CZ2 3.46Å; T236-W238 VanDerWaalsContact CG2-CZ2 3.46Å; T236-W238 HydrophobicContact CG2-CZ3 3.47Å; T236-W238 VanDerWaalsContact CG2-CZ3 3.47Å; T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; W238-I251 HydrophobicContact CH2-CD1 3.67Å; W238-I251 HydrophobicContact CZ2-CD1 3.7Å; W238-I251 HydrophobicContact CZ2-CG1 4.14Å; W238-I251 HydrophobicContact CZ3-CD1 4.39Å; W238-R287 WeakPolarHBondContact O-CA 3.39Å; W238-L288 HydrophobicContact CB-CB 4.29Å; W238-L288 HydrophobicContact CD2-CD2 4.43Å; W238-L288 HydrophobicContact CE3-CD2 4.21Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 3.07Å; W238-L288 PolarHBondContact O-N 3.37Å; W238-L290 HydrophobicContact CH2-CB 3.71Å; W238-L290 HydrophobicContact CH2-CD2 3.97Å; W238-L290 HydrophobicContact CZ3-CB 3.42Å; W238-L290 VanDerWaalsContact CZ3-CB 3.42Å |
| 239 | K | 86.1 | Confident | 81.2 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 19% | 0.191 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.1 | 160.4 | -63.5 | 178.7 | -171.6 | 158.4 | 0 | 108.2 | F221 G223 D224 Q241 | F221-K239 HydrophobicContact CE2-CD 4.27Å; F221-K239 HydrophobicContact CE2-CG 4.05Å; F221-K239 HydrophobicContact CZ-CD 4.37Å; F221-K239 HydrophobicContact CZ-CG 3.78Å; F221-K239 PolarHBondContact O-NZ 3.41Å; G223-K239 WeakPolarHBondContact O-CD 3.24Å; G223-K239 WeakPolarHBondContact O-CE 3.32Å; G223-K239 PolarHBondContact O-NZ 2.86Å; D224-K239 PolarHBondContact O-N 3.33Å; K239-Q241 PolarHBondContact O-N 3.49Å |
| 240 | L | 79.9 | Confident | 81.3 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | trans | -80 | 102.7 | 176.3 | -64.9 | 170.2 | 0 | 0 | 0 | 108.7 | A244 F274 K286 L288 V317 | L240-A244 HydrophobicContact CD2-CB 4.47Å; L240-F274 HydrophobicContact CD1-CD1 4.11Å; L240-F274 HydrophobicContact CD1-CE1 4.28Å; L240-F274 HydrophobicContact CD2-CD1 3.55Å; L240-F274 HydrophobicContact CD2-CE1 3.36Å; L240-F274 HydrophobicContact CD2-CZ 4.27Å; L240-F274 HydrophobicContact CG-CD1 4.42Å; L240-F274 HydrophobicContact CG-CE1 4.47Å; L240-K286 VanDerWaalsContact CB-O 3.29Å; L240-K286 WeakPolarHBondContact CB-O 3.43Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 2.94Å; L240-L288 HydrophobicContact CD1-CB 4.21Å; L240-L288 HydrophobicContact CD2-CB 4.09Å; L240-L288 HydrophobicContact CG-CB 4.2Å; L240-V317 HydrophobicContact CD1-CG1 4.41Å | ||
| 241 | Q | 73.6 | Confident | 81.3 | Confident | 81 Ų | 81 | 56 Ų | 56 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | trans | -66.8 | 153 | 172.5 | -66.8 | -175.5 | -4.6 | 0 | 0 | 110.6 | D224 K239 T243 A244 | D224-Q241 PolarHBondContact OD1-NE2 3.48Å; D224-Q241 PolarHBondContact OD2-NE2 3.49Å; K239-Q241 PolarHBondContact O-N 3.49Å; Q241-T243 PolarHBondContact O-N 3.39Å; Q241-T243 PolarHBondContact OE1-OG1 3.32Å; Q241-A244 WeakPolarHBondContact O-CB 3.28Å; Q241-A244 PolarHBondContact O-N 2.94Å | ||
| 242 | P | 65.1 | Low | 81.5 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.2 | 177.5 | -24.5 | 33.5 | 0 | 0 | 0 | 114.3 | ||
| 243 | T | 64.8 | Low | 81.4 | Confident | 80 Ų | 80 | 55 Ų | 55 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.6 | 177.2 | 46 | 0 | 0 | 0 | 0 | 113.8 | Q241 G245 L246 | Q241-T243 PolarHBondContact O-N 3.39Å; Q241-T243 PolarHBondContact OE1-OG1 3.32Å; T243-G245 PolarHBondContact O-N 3.01Å; T243-L246 HydrophobicContact CG2-CD1 4.45Å; T243-L246 WeakPolarHBondContact O-CB 3.4Å; T243-L246 WeakPolarHBondContact O-CD1 3.36Å; T243-L246 WeakPolarHBondContact O-CG 3.4Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 VanDerWaalsContact O-N 3.08Å |
| 244 | A | 63.4 | Low | 80.8 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -59.3 | -21.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L240 Q241 L246 F274 | L240-A244 HydrophobicContact CD2-CB 4.47Å; Q241-A244 WeakPolarHBondContact O-CB 3.28Å; Q241-A244 PolarHBondContact O-N 2.94Å; A244-L246 PolarHBondContact O-N 3.28Å; A244-F274 HydrophobicContact CB-CB 4.33Å; A244-F274 HydrophobicContact CB-CG 4.26Å; A244-F274 WeakPolarHBondContact O-CD2 3.27Å |
| 245 | G | 62.5 | Low | 80 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -71.9 | 2.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T243 | T243-G245 PolarHBondContact O-N 3.01Š|
| 246 | L | 65.5 | Low | 79.1 | Confident | 126 Ų | 126 | 71 Ų | 71 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -83.7 | -30.6 | -179.4 | -70.8 | 166.4 | 0 | 0 | 0 | 113.4 | T243 A244 | T243-L246 HydrophobicContact CG2-CD1 4.45Å; T243-L246 WeakPolarHBondContact O-CB 3.4Å; T243-L246 WeakPolarHBondContact O-CD1 3.36Å; T243-L246 WeakPolarHBondContact O-CG 3.4Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 VanDerWaalsContact O-N 3.08Å; A244-L246 PolarHBondContact O-N 3.28Å |
| 247 | Q | 80.9 | Confident | 77.9 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 72% | 0.715 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -141.6 | 156.6 | -171.4 | -68.3 | -179.3 | 1.5 | 0 | 0 | 111.6 | ||
| 248 | D | 84 | Confident | 76.2 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -72.6 | 142.2 | 173.7 | -57.7 | -27.6 | 0 | 0 | 0 | 109.6 | L268 L269 P270 R271 | D248-L268 HydrophobicContact CB-CD1 3.77Å; D248-L269 WeakPolarHBondContact CA-O 3.3Å; D248-P270 WeakPolarHBondContact OD1-CA 3.49Å; D248-R271 WeakPolarHBondContact OD1-CB 3.18Å; D248-R271 WeakPolarHBondContact OD1-CG 3.35Å; D248-R271 PolarHBondContact OD1-N 3.02Å | ||
| 249 | L | 86.3 | Confident | 74.8 | Confident | 48 Ų | 48 | 91.3 Ų | 91.3 | 25% | 0.251 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.7 | 178.7 | 179.5 | 64.4 | 0 | 0 | 0 | 109.2 | I251 L269 F274 L288 | L249-I251 HydrophobicContact CD2-CD1 4.2Å; L249-I251 HydrophobicContact CD2-CG1 4.47Å; L249-I251 HydrophobicContact CG-CD1 4.37Å; L249-I251 HydrophobicContact CG-CG1 4.14Å; L249-L269 HydrophobicContact CB-CB 4.23Å; L249-L269 HydrophobicContact CD2-CD1 4.17Å; L249-L269 PolarHBondContact N-O 3.42Å; L249-L269 PolarHBondContact O-N 3.4Å; L249-F274 HydrophobicContact CB-CE2 3.91Å; L249-F274 HydrophobicContact CB-CZ 3.99Å; L249-F274 HydrophobicContact CD2-CZ 4.09Å; L249-L288 HydrophobicContact CD2-CD2 3.61Å |
| 250 | H | 88.5 | Confident | 74 | Confident | 116 Ų | 116 | 90.7 Ų | 90.7 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.9 | 174.9 | -67 | -105.6 | 0 | 0 | 0 | 110 | V267 L268 | H250-V267 WeakPolarHBondContact CA-O 3.41Å; H250-L268 WeakPolarHBondContact CE1-CD1 3.17Å; H250-L268 VanDerWaalsContact NE2-CD1 3.34Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.18Å |
| 251 | I | 88 | Confident | 73.9 | Confident | 20 Ų | 20 | 93.5 Ų | 93.5 | 10% | 0.103 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128 | 176 | -54.8 | 168.8 | 0 | 0 | 0 | 107.8 | W238 L249 S266 V267 L269 L290 | W238-I251 HydrophobicContact CH2-CD1 3.67Å; W238-I251 HydrophobicContact CZ2-CD1 3.7Å; W238-I251 HydrophobicContact CZ2-CG1 4.14Å; W238-I251 HydrophobicContact CZ3-CD1 4.39Å; L249-I251 HydrophobicContact CD2-CD1 4.2Å; L249-I251 HydrophobicContact CD2-CG1 4.47Å; L249-I251 HydrophobicContact CG-CD1 4.37Å; L249-I251 HydrophobicContact CG-CG1 4.14Å; I251-S266 CarbonylContact O-C 3.51Å; I251-S266 VanDerWaalsContact O-CA 3.22Å; I251-S266 WeakPolarHBondContact O-CA 3.42Å; I251-V267 HydrophobicContact CB-CB 4.26Å; I251-V267 PolarHBondContact N-O 3.14Å; I251-V267 PolarHBondContact O-N 2.85Å; I251-L269 HydrophobicContact CD1-CD1 4.3Å; I251-L290 HydrophobicContact CD1-CD2 4.17Å; I251-L290 HydrophobicContact CG2-CD2 3.85Å |
| 252 | H | 88.7 | Confident | 74.4 | Confident | 126 Ų | 126 | 89.8 Ų | 89.8 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.3 | 175.5 | -69.2 | -82.4 | 0 | 0 | 0 | 109.5 | S266 | H252-S266 WeakPolarHBondContact ND1-CB 3.34Å |
| 253 | S | 86.6 | Confident | 75.4 | Confident | 21 Ų | 21 | 86.6 Ų | 86.6 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 161.3 | 170.5 | 83.2 | 0 | 0 | 0 | 0 | 110.5 | E264 Y265 | S253-E264 WeakPolarHBondContact OG-CA 3.43Å; S253-Y265 VanDerWaalsContact CB-CZ 3.48Å; S253-Y265 WeakPolarHBondContact CB-O 3.47Å; S253-Y265 PolarHBondContact N-O 3.45Å; S253-Y265 PolarHBondContact OG-N 2.95Å; S253-Y265 PolarHBondContact OG-O 3.26Å |
| 254 | R | 78.4 | Confident | 76.6 | Confident | 183 Ų | 183 | 85.2 Ų | 85.2 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 150.8 | 162.6 | -74 | -179.8 | 162.8 | 126.3 | -3.7 | 109.4 | E229 E256 | E229-R254 IonicContact OE1-NH1 2.91Å; E229-R254 PolarHBondContact OE1-NH1 3.37Å; E229-R254 IonicContact OE2-NH1 3.8Å; R254-E256 PolarHBondContact O-N 3.49Å |
| 255 | Q | 75.1 | Confident | 78 | Confident | 146 Ų | 146 | 84.5 Ų | 84.5 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 122.7 | 169.8 | -170.7 | 174.7 | 0.1 | 0 | 0 | 109 | M263 | Q255-M263 WeakPolarHBondContact CA-O 3.31Š|
| 256 | E | 72.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 85 Ų | 85 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 171.4 | 177.5 | -63.2 | -165.6 | 177.2 | 0 | 0 | 111.5 | R254 S260 M263 K311 | R254-E256 PolarHBondContact O-N 3.49Å; E256-S260 WeakPolarHBondContact OE2-CB 3.16Å; E256-S260 PolarHBondContact OE2-OG 3.32Å; E256-M263 PolarHBondContact N-O 3.17Å; E256-K311 IonicContact OE1-NZ 3.93Å; E256-K311 PolarHBondContact OE1-NZ 3.09Å |
| 257 | E | 66.1 | Low | 80.9 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 152 | 177.7 | -55.7 | -163.4 | 133.2 | 0 | 0 | 111.5 | R26 Q259 S260 | R26-E257 IonicContact CZ-OE1 3.09Å; R26-E257 IonicContact NH2-OE1 3.51Å; R26-E257 PolarHBondContact NH2-OE1 2.98Å; E257-Q259 PolarHBondContact O-N 3.18Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.25Å |
| 258 | E | 57.1 | Low | 81.5 | Confident | 175 Ų | 175 | 74.2 Ų | 74.2 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -16.7 | -174.6 | -68 | -178.1 | 163.1 | 0 | 0 | 115.2 | Q336 | E258-Q336 PolarHBondContact O-NE2 3.23Š|
| 259 | Q | 57.1 | Low | 81.9 | Confident | 183 Ų | 183 | 71 Ų | 71 | 86% | 0.855 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4.4 | 178.9 | -66.1 | -177.4 | -1.2 | 0 | 0 | 114.1 | E257 | E257-Q259 PolarHBondContact O-N 3.18Š|
| 260 | S | 70 | Confident | 82.1 | Confident | 30 Ų | 30 | 69 Ų | 69 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | trans | -80.3 | 134 | -177 | -43.4 | 0 | 0 | 0 | 0 | 110.2 | E256 E257 I262 Q336 | E256-S260 WeakPolarHBondContact OE2-CB 3.16Å; E256-S260 PolarHBondContact OE2-OG 3.32Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.25Å; S260-I262 VanDerWaalsContact CB-O 3.29Å; S260-I262 WeakPolarHBondContact CB-O 3.32Å; S260-I262 PolarHBondContact O-N 3.44Å; S260-Q336 PolarHBondContact O-NE2 3.39Å | ||
| 261 | E | 78.2 | Confident | 81.9 | Confident | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -62.9 | -35.7 | 179.1 | -68.2 | -172.2 | 161.3 | 0 | 0 | 111.7 | L308 G309 H335 Q336 M389 | E261-L308 HydrophobicContact CB-CD1 4.42Å; E261-G309 WeakPolarHBondContact OE2-CA 3.45Å; E261-G309 PolarHBondContact OE2-N 2.94Å; E261-H335 CarbonylContact O-C 3.53Å; E261-H335 WeakPolarHBondContact O-CA 3.38Å; E261-H335 VanDerWaalsContact O-CB 3.27Å; E261-H335 WeakPolarHBondContact O-CB 3.19Å; E261-Q336 PolarHBondContact O-N 3.14Å; E261-M389 VanDerWaalsContact OE2-CE 3.24Å; E261-M389 WeakPolarHBondContact OE2-CE 3.29Å |
| 262 | I | 84.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.6 | 170.1 | -68.2 | 167.2 | 0 | 0 | 0 | 107.6 | S260 L308 K311 F333 Q334 H335 | S260-I262 VanDerWaalsContact CB-O 3.29Å; S260-I262 WeakPolarHBondContact CB-O 3.32Å; S260-I262 PolarHBondContact O-N 3.44Å; I262-L308 HydrophobicContact CD1-CB 4.39Å; I262-L308 HydrophobicContact CD1-CD2 4.19Å; I262-L308 HydrophobicContact CD1-CG 3.91Å; I262-L308 WeakPolarHBondContact CD1-O 3.17Å; I262-L308 HydrophobicContact CG1-CD2 4.04Å; I262-L308 HydrophobicContact CG1-CG 3.85Å; I262-K311 HydrophobicContact CD1-CB 3.41Å; I262-K311 VanDerWaalsContact CD1-CB 3.41Å; I262-K311 HydrophobicContact CD1-CG 4Å; I262-F333 HydrophobicContact CD1-CD1 4.15Å; I262-F333 HydrophobicContact CG2-CD1 4.47Å; I262-Q334 CarbonylContact C-O 3.59Å; I262-Q334 WeakPolarHBondContact CA-O 3.45Å; I262-H335 HydrophobicContact CG1-CB 4.43Å |
| 263 | M | 85.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 64 Ų | 64 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -40.2 | -179.2 | -65.1 | -62.2 | -59.2 | 0 | 0 | 111.5 | Q255 E256 Q334 Q336 | Q255-M263 WeakPolarHBondContact CA-O 3.31Å; E256-M263 PolarHBondContact N-O 3.17Å; M263-Q334 PolarHBondContact N-O 2.95Å; M263-Q336 HydrophobicContact SD-CG 4.43Å |
| 264 | E | 90.4 | Very high | 80.9 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 162.4 | 177.4 | 59.5 | 169.1 | -127.5 | 0 | 0 | 110.7 | S253 Q334 | S253-E264 WeakPolarHBondContact OG-CA 3.43Å; E264-Q334 VanDerWaalsContact CD-CD 3.48Å; E264-Q334 HydrophobicContact CG-CB 3.59Å; E264-Q334 HydrophobicContact CG-CG 3.59Å; E264-Q334 PolarHBondContact N-O 3.25Å; E264-Q334 PolarHBondContact O-N 3.41Å; E264-Q334 PolarHBondContact OE1-NE2 2.68Å |
| 265 | Y | 92.9 | Very high | 80.6 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 7% | 0.071 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.2 | 169.3 | 66.6 | -92.5 | 0 | 0 | 0 | 111.6 | S253 V267 D292 K311 L313 T332 | S253-Y265 VanDerWaalsContact CB-CZ 3.48Å; S253-Y265 WeakPolarHBondContact CB-O 3.47Å; S253-Y265 PolarHBondContact N-O 3.45Å; S253-Y265 PolarHBondContact OG-N 2.95Å; S253-Y265 PolarHBondContact OG-O 3.26Å; Y265-V267 HydrophobicContact CD2-CG2 4.09Å; Y265-V267 HydrophobicContact CE2-CG2 4.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.36Å; Y265-D292 WeakPolarHBondContact OH-CB 3.35Å; Y265-D292 PolarHBondContact OH-OD2 3.31Å; Y265-K311 VanDerWaalsContact CE1-CE 3.49Å; Y265-L313 HydrophobicContact CD2-CD2 4.01Å; Y265-L313 HydrophobicContact CE2-CD1 3.84Å; Y265-L313 HydrophobicContact CE2-CD2 4.02Å; Y265-T332 CarbonylContact C-O 3.58Å; Y265-T332 WeakPolarHBondContact CA-O 3.32Å |
| 266 | S | 94.3 | Very high | 80 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.6 | 169.2 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | I251 H252 L331 T332 | I251-S266 CarbonylContact O-C 3.51Å; I251-S266 VanDerWaalsContact O-CA 3.22Å; I251-S266 WeakPolarHBondContact O-CA 3.42Å; H252-S266 WeakPolarHBondContact ND1-CB 3.34Å; S266-L331 CarbonylContact O-C 3.55Å; S266-L331 WeakPolarHBondContact O-CA 3.24Å; S266-T332 PolarHBondContact N-O 3.05Å; S266-T332 PolarHBondContact O-N 3.09Å; S266-T332 WeakPolarHBondContact OG-CB 3.48Å |
| 267 | V | 94.2 | Very high | 79.5 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.5 | 177.2 | -170.4 | 0 | 0 | 0 | 0 | 108.1 | H250 I251 Y265 L269 L290 L313 I315 V329 V330 L331 | H250-V267 WeakPolarHBondContact CA-O 3.41Å; I251-V267 HydrophobicContact CB-CB 4.26Å; I251-V267 PolarHBondContact N-O 3.14Å; I251-V267 PolarHBondContact O-N 2.85Å; Y265-V267 HydrophobicContact CD2-CG2 4.09Å; Y265-V267 HydrophobicContact CE2-CG2 4.28Å; V267-L269 HydrophobicContact CG1-CD2 4.26Å; V267-L269 HydrophobicContact CG1-CG 4.04Å; V267-L290 HydrophobicContact CG2-CD1 4.43Å; V267-L313 HydrophobicContact CG2-CD2 3.39Å; V267-I315 HydrophobicContact CG1-CD1 3.55Å; V267-V329 HydrophobicContact CG1-CG1 4.26Å; V267-V330 WeakPolarHBondContact CA-O 3.43Å; V267-L331 HydrophobicContact CG1-CD2 4.45Å; V267-L331 HydrophobicContact CG2-CD2 4.35Å |
| 268 | L | 93.8 | Very high | 79.1 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.6 | 170.3 | 179.2 | 60.3 | 0 | 0 | 0 | 109 | D248 H250 V330 | D248-L268 HydrophobicContact CB-CD1 3.77Å; H250-L268 WeakPolarHBondContact CE1-CD1 3.17Å; H250-L268 VanDerWaalsContact NE2-CD1 3.34Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.18Å; L268-V330 HydrophobicContact CB-CB 3.99Å; L268-V330 HydrophobicContact CB-CG2 4.48Å; L268-V330 HydrophobicContact CD2-CB 4.4Å; L268-V330 HydrophobicContact CD2-CG2 4.14Å; L268-V330 PolarHBondContact N-O 3.46Å; L268-V330 PolarHBondContact O-N 2.87Å; L268-V330 VanDerWaalsContact O-N 3.09Å |
| 269 | L | 91.8 | Very high | 79 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.6 | 173.5 | -65.8 | 167.9 | 0 | 0 | 0 | 109.4 | D248 L249 I251 V267 L273 F274 L288 I315 V329 L382 | D248-L269 WeakPolarHBondContact CA-O 3.3Å; L249-L269 HydrophobicContact CB-CB 4.23Å; L249-L269 HydrophobicContact CD2-CD1 4.17Å; L249-L269 PolarHBondContact N-O 3.42Å; L249-L269 PolarHBondContact O-N 3.4Å; I251-L269 HydrophobicContact CD1-CD1 4.3Å; V267-L269 HydrophobicContact CG1-CD2 4.26Å; V267-L269 HydrophobicContact CG1-CG 4.04Å; L269-L273 HydrophobicContact CB-CD2 4.31Å; L269-L273 HydrophobicContact CD2-CD2 4.09Å; L269-F274 HydrophobicContact CB-CZ 4.19Å; L269-L288 HydrophobicContact CD1-CD1 4.18Å; L269-L288 HydrophobicContact CD1-CD2 3.51Å; L269-L288 HydrophobicContact CD1-CG 4.45Å; L269-I315 HydrophobicContact CD1-CG2 4.43Å; L269-I315 HydrophobicContact CD2-CD1 4.43Å; L269-I315 HydrophobicContact CD2-CG2 4.05Å; L269-V329 HydrophobicContact CD2-CB 4.46Å; L269-V329 HydrophobicContact CD2-CG1 3.69Å; L269-V329 HydrophobicContact CD2-CG2 3.91Å; L269-L382 HydrophobicContact CD2-CD2 3.99Å |
| 270 | P | 90.2 | Very high | 78.8 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | -71.4 | 146 | -176.2 | 29.1 | -34 | 0 | 0 | 0 | 111.5 | D248 T272 L273 E327 | D248-P270 WeakPolarHBondContact OD1-CA 3.49Å; P270-T272 PolarHBondContact O-N 3.4Å; P270-T272 VanDerWaalsContact O-N 3.13Å; P270-L273 WeakPolarHBondContact O-CB 3.2Å; P270-L273 PolarHBondContact O-N 2.83Å; P270-E327 HydrophobicContact CB-CB 3.9Å; P270-E327 WeakPolarHBondContact CB-OE2 3.42Å; P270-E327 HydrophobicContact CG-CB 4.16Å | ||
| 271 | R | 85.1 | Confident | 78.2 | Confident | 116 Ų | 116 | 64 Ų | 64 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -28 | 178.6 | 64.4 | -171.5 | 175.8 | 176.1 | -3.3 | 114.4 | D248 L273 F274 Q275 | D248-R271 WeakPolarHBondContact OD1-CB 3.18Å; D248-R271 WeakPolarHBondContact OD1-CG 3.35Å; D248-R271 PolarHBondContact OD1-N 3.02Å; R271-L273 PolarHBondContact O-N 3.31Å; R271-F274 PolarHBondContact O-N 2.88Å; R271-Q275 PolarHBondContact O-N 3.43Å |
| 272 | T | 82.3 | Confident | 77.1 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -28.5 | 176.8 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | P270 F274 E327 | P270-T272 PolarHBondContact O-N 3.4Å; P270-T272 VanDerWaalsContact O-N 3.13Å; T272-F274 VanDerWaalsContact C-N 3.34Å; T272-F274 PolarHBondContact O-N 2.99Å; T272-E327 HydrophobicContact CG2-CG 4.46Å; T272-E327 WeakPolarHBondContact CG2-OE2 3.25Å; T272-E327 PolarHBondContact OG1-OE2 3.45Å |
| 273 | L | 81.5 | Confident | 75.9 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 171.7 | -178.5 | 65.4 | 0 | 0 | 0 | 111.5 | L269 P270 R271 V322 L325 L382 | L269-L273 HydrophobicContact CB-CD2 4.31Å; L269-L273 HydrophobicContact CD2-CD2 4.09Å; P270-L273 WeakPolarHBondContact O-CB 3.2Å; P270-L273 PolarHBondContact O-N 2.83Å; R271-L273 PolarHBondContact O-N 3.31Å; L273-V322 HydrophobicContact CD1-CB 4.35Å; L273-V322 HydrophobicContact CD1-CG1 3.59Å; L273-V322 HydrophobicContact CD1-CG2 4.05Å; L273-L325 HydrophobicContact CD1-CD2 4.23Å; L273-L382 HydrophobicContact CD1-CD1 3.69Å; L273-L382 HydrophobicContact CD1-CG 4.47Å; L273-L382 HydrophobicContact CD2-CD1 3.88Å; L273-L382 HydrophobicContact CG-CD1 4.42Å |
| 274 | F | 78 | Confident | 74.8 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 5% | 0.053 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -80.3 | -24.9 | -174.1 | -52.9 | -56.2 | 0 | 0 | 0 | 112.8 | L240 A244 L249 L269 R271 T272 R276 T277 L288 | L240-F274 HydrophobicContact CD1-CD1 4.11Å; L240-F274 HydrophobicContact CD1-CE1 4.28Å; L240-F274 HydrophobicContact CD2-CD1 3.55Å; L240-F274 HydrophobicContact CD2-CE1 3.36Å; L240-F274 HydrophobicContact CD2-CZ 4.27Å; L240-F274 HydrophobicContact CG-CD1 4.42Å; L240-F274 HydrophobicContact CG-CE1 4.47Å; A244-F274 HydrophobicContact CB-CB 4.33Å; A244-F274 HydrophobicContact CB-CG 4.26Å; A244-F274 WeakPolarHBondContact O-CD2 3.27Å; L249-F274 HydrophobicContact CB-CE2 3.91Å; L249-F274 HydrophobicContact CB-CZ 3.99Å; L249-F274 HydrophobicContact CD2-CZ 4.09Å; L269-F274 HydrophobicContact CB-CZ 4.19Å; R271-F274 PolarHBondContact O-N 2.88Å; T272-F274 VanDerWaalsContact C-N 3.34Å; T272-F274 PolarHBondContact O-N 2.99Å; F274-R276 PolarHBondContact O-N 2.9Å; F274-T277 VanDerWaalsContact C-OG1 3.29Å; F274-T277 VanDerWaalsContact CA-OG1 3.26Å; F274-T277 WeakPolarHBondContact CA-OG1 3.34Å; F274-T277 PolarHBondContact O-N 3.32Å; F274-T277 PolarHBondContact O-OG1 3.49Å; F274-L288 HydrophobicContact CE1-CD2 4.48Å |
| 275 | Q | 71.9 | Confident | 73.9 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 174.1 | -69.8 | 179.6 | 2 | 0 | 0 | 112.1 | R271 T277 K278 | R271-Q275 PolarHBondContact O-N 3.43Å; Q275-T277 PolarHBondContact O-N 3.27Å; Q275-K278 PolarHBondContact O-N 3.01Å |
| 276 | R | 63.3 | Low | 73.3 | Confident | 202 Ų | 202 | 76.4 Ų | 76.4 | 76% | 0.762 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.9 | -21.9 | 178.8 | -157.3 | 171.8 | -169.3 | 168.2 | 2 | 112.8 | F274 K278 | F274-R276 PolarHBondContact O-N 2.9Å; R276-K278 VanDerWaalsContact C-N 3.34Å |
| 277 | T | 61.6 | Low | 73 | Confident | 20 Ų | 20 | 77 Ų | 77 | 12% | 0.123 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.4 | 179 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | F274 Q275 G279 K286 V317 | F274-T277 VanDerWaalsContact C-OG1 3.29Å; F274-T277 VanDerWaalsContact CA-OG1 3.26Å; F274-T277 WeakPolarHBondContact CA-OG1 3.34Å; F274-T277 PolarHBondContact O-N 3.32Å; F274-T277 PolarHBondContact O-OG1 3.49Å; Q275-T277 PolarHBondContact O-N 3.27Å; T277-G279 VanDerWaalsContact C-N 3.33Å; T277-G279 PolarHBondContact O-N 3Å; T277-K286 HydrophobicContact CG2-CD 4.07Å; T277-V317 HydrophobicContact CG2-CG1 4.28Å |
| 278 | K | 58 | Low | 72.9 | Confident | 166 Ų | 166 | 77 Ų | 77 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | trans | -63.8 | 93.5 | 178.4 | -160.5 | 171.8 | -173 | 174.3 | 0 | 109.5 | Q275 R276 | Q275-K278 PolarHBondContact O-N 3.01Å; R276-K278 VanDerWaalsContact C-N 3.34Å | ||
| 279 | G | 54.6 | Low | 72.8 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | trans | -58.6 | 157.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T277 E283 | T277-G279 VanDerWaalsContact C-N 3.33Å; T277-G279 PolarHBondContact O-N 3Å; G279-E283 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 280 | R | 53.9 | Low | 72.9 | Confident | 231 Ų | 231 | 75 Ų | 75 | 87% | 0.872 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -58.7 | 145.8 | 168.7 | -128.6 | 170.9 | -174.6 | 159.7 | 0.1 | 108 | G282 E283 | R280-G282 PolarHBondContact O-N 3.33Å; R280-E283 PolarHBondContact O-N 3.41Å; R280-E283 VanDerWaalsContact O-N 3.12Å |
| 281 | S | 56.6 | Low | 73.1 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 97% | 0.965 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 115.8 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 282 | G | 55 | Low | 73.5 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 88% | 0.876 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.9 | -5.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | R280 | R280-G282 PolarHBondContact O-N 3.33Š|
| 283 | E | 58.8 | Low | 74 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 140.2 | 175.7 | -140 | 168.5 | -177.8 | 0 | 0 | 111.7 | G279 R280 | G279-E283 WeakPolarHBondContact CA-OE2 3.4Å; R280-E283 PolarHBondContact O-N 3.41Å; R280-E283 VanDerWaalsContact O-N 3.12Å |
| 284 | A | 62.4 | Low | 74.4 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 72% | 0.719 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 148.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K286 | A284-K286 PolarHBondContact O-N 3.43Å; A284-K286 VanDerWaalsContact O-N 3.15Å |
| 285 | E | 70.6 | Confident | 74.8 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 118.5 | 173.8 | -66.6 | 178 | 165.9 | 0 | 0 | 110.6 | ||
| 286 | K | 82.1 | Confident | 75.4 | Confident | 40 Ų | 40 | 65 Ų | 65 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 152.9 | 177 | -68.2 | -166.8 | -173.6 | 170.2 | 0 | 110.6 | L240 T277 A284 T320 | L240-K286 VanDerWaalsContact CB-O 3.29Å; L240-K286 WeakPolarHBondContact CB-O 3.43Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 2.94Å; T277-K286 HydrophobicContact CG2-CD 4.07Å; A284-K286 PolarHBondContact O-N 3.43Å; A284-K286 VanDerWaalsContact O-N 3.15Å; K286-T320 HydrophobicContact CD-CG2 4.34Å |
| 287 | R | 88.2 | Confident | 76.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 15% | 0.151 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.4 | -179.9 | -63.5 | 172.3 | 176.9 | -158.7 | -9.6 | 111 | T217 V219 V237 W238 Q318 | T217-R287 VanDerWaalsContact O-CD 3.31Å; T217-R287 WeakPolarHBondContact O-CD 3.5Å; T217-R287 PolarHBondContact O-NH1 3.49Å; V219-R287 VanDerWaalsContact O-CZ 3.28Å; V219-R287 PolarHBondContact O-NH1 3.07Å; V219-R287 PolarHBondContact O-NH2 3.18Å; V237-R287 HydrophobicContact CG1-CB 4.28Å; W238-R287 WeakPolarHBondContact O-CA 3.39Å; R287-Q318 HydrophobicContact CB-CB 4.22Å; R287-Q318 PolarHBondContact O-N 3.2Å |
| 288 | L | 90.5 | Very high | 77.4 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.7 | 169.5 | 173.2 | 71.1 | 0 | 0 | 0 | 108.1 | V237 W238 L240 L249 L269 F274 I315 V317 | V237-L288 WeakPolarHBondContact CA-O 3.41Å; W238-L288 HydrophobicContact CB-CB 4.29Å; W238-L288 HydrophobicContact CD2-CD2 4.43Å; W238-L288 HydrophobicContact CE3-CD2 4.21Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 3.07Å; W238-L288 PolarHBondContact O-N 3.37Å; L240-L288 HydrophobicContact CD1-CB 4.21Å; L240-L288 HydrophobicContact CD2-CB 4.09Å; L240-L288 HydrophobicContact CG-CB 4.2Å; L249-L288 HydrophobicContact CD2-CD2 3.61Å; L269-L288 HydrophobicContact CD1-CD1 4.18Å; L269-L288 HydrophobicContact CD1-CD2 3.51Å; L269-L288 HydrophobicContact CD1-CG 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.48Å; L288-I315 HydrophobicContact CD1-CG2 3.93Å; L288-V317 HydrophobicContact CD1-CG2 3.87Å |
| 289 | L | 92.5 | Very high | 78.7 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | 177.1 | 173.4 | 63.5 | 0 | 0 | 0 | 109.6 | E213 L216 V237 V291 I315 V316 | E213-L289 HydrophobicContact CB-CD2 4.45Å; E213-L289 HydrophobicContact CG-CD2 4.07Å; L216-L289 HydrophobicContact CB-CD1 4.05Å; L216-L289 HydrophobicContact CB-CD2 4.28Å; L216-L289 HydrophobicContact CD1-CD1 3.67Å; L216-L289 HydrophobicContact CD1-CD2 3.94Å; L216-L289 HydrophobicContact CD1-CG 4.46Å; L216-L289 HydrophobicContact CD2-CD1 4.35Å; L216-L289 HydrophobicContact CG-CD1 4.25Å; V237-L289 HydrophobicContact CG2-CD1 3.91Å; L289-V291 HydrophobicContact CD1-CG2 3.7Å; L289-V291 HydrophobicContact CD2-CG2 3.75Å; L289-V291 HydrophobicContact CG-CG2 3.67Å; L289-I315 WeakPolarHBondContact O-CA 3.5Å; L289-V316 PolarHBondContact N-O 3.14Å; L289-V316 PolarHBondContact O-N 3.28Å |
| 290 | L | 94.1 | Very high | 79.9 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.9 | 165.8 | -174.9 | 72.1 | 0 | 0 | 0 | 108 | A235 T236 W238 I251 V267 L313 G314 I315 | A235-L290 CarbonylContact C-O 3.51Å; A235-L290 WeakPolarHBondContact CA-O 3.27Å; T236-L290 PolarHBondContact N-O 3.45Å; T236-L290 PolarHBondContact O-N 3.4Å; W238-L290 HydrophobicContact CH2-CB 3.71Å; W238-L290 HydrophobicContact CH2-CD2 3.97Å; W238-L290 HydrophobicContact CZ3-CB 3.42Å; W238-L290 VanDerWaalsContact CZ3-CB 3.42Å; I251-L290 HydrophobicContact CD1-CD2 4.17Å; I251-L290 HydrophobicContact CG2-CD2 3.85Å; V267-L290 HydrophobicContact CG2-CD1 4.43Å; L290-L313 HydrophobicContact CD1-CD1 3.64Å; L290-L313 HydrophobicContact CD1-CD2 3.95Å; L290-L313 HydrophobicContact CD1-CG 3.7Å; L290-L313 HydrophobicContact CD2-CD1 4.48Å; L290-L313 HydrophobicContact CG-CD1 4.01Å; L290-G314 CarbonylContact C-O 3.37Å; L290-G314 VanDerWaalsContact CA-O 3.28Å; L290-G314 WeakPolarHBondContact CA-O 3Å; L290-I315 HydrophobicContact CD1-CD1 4.33Å; L290-I315 HydrophobicContact CD1-CG1 3.54Å |
| 291 | V | 94.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121 | 172.9 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | L212 L216 I233 N234 A235 L289 F293 L313 G314 | L212-V291 HydrophobicContact CD2-CG1 4.38Å; L216-V291 HydrophobicContact CD1-CG2 4.18Å; I233-V291 HydrophobicContact CD1-CG1 3.99Å; I233-V291 HydrophobicContact CG1-CG1 3.89Å; N234-V291 CarbonylContact O-C 3.55Å; N234-V291 WeakPolarHBondContact O-CA 3.29Å; A235-V291 HydrophobicContact CB-CG1 4.47Å; A235-V291 HydrophobicContact CB-CG2 4.32Å; L289-V291 HydrophobicContact CD1-CG2 3.7Å; L289-V291 HydrophobicContact CD2-CG2 3.75Å; L289-V291 HydrophobicContact CG-CG2 3.67Å; V291-F293 HydrophobicContact CB-CE2 3.96Å; V291-F293 HydrophobicContact CG1-CD2 3.85Å; V291-F293 HydrophobicContact CG1-CE1 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.31Å; V291-F293 HydrophobicContact CG1-CZ 3.57Å; V291-L313 CarbonylContact O-C 3.44Å; V291-L313 WeakPolarHBondContact O-CA 3.26Å; V291-G314 PolarHBondContact N-O 3.46Å; V291-G314 PolarHBondContact O-N 2.9Å |
| 292 | D | 93.4 | Very high | 81.4 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.8 | 175.8 | 169.8 | 4.7 | 0 | 0 | 0 | 108.7 | I233 N234 Y265 K311 L313 | I233-D292 CarbonylContact C-O 3.46Å; I233-D292 VanDerWaalsContact CA-O 3.28Å; I233-D292 WeakPolarHBondContact CA-O 3.46Å; N234-D292 HydrophobicContact CB-CB 4.2Å; N234-D292 PolarHBondContact N-O 3.41Å; N234-D292 PolarHBondContact O-N 2.95Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.36Å; Y265-D292 WeakPolarHBondContact OH-CB 3.35Å; Y265-D292 PolarHBondContact OH-OD2 3.31Å; D292-K311 VanDerWaalsContact CG-CE 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.43Å; D292-K311 WeakPolarHBondContact OD1-CE 3.12Å; D292-K311 IonicContact OD1-NZ 3.97Å; D292-K311 PolarHBondContact OD1-NZ 3.47Å; D292-K311 WeakPolarHBondContact OD2-CE 3.28Å; D292-K311 IonicContact OD2-NZ 3.5Å; D292-K311 PolarHBondContact OD2-NZ 3.16Å; D292-L313 HydrophobicContact CB-CD1 3.83Å |
| 293 | F | 92.8 | Very high | 82 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.4 | 172.5 | -64.4 | -89.7 | 0 | 0 | 0 | 110.2 | L186 L190 L209 L212 I233 V291 S295 L298 F299 K311 V312 Y384 | L186-F293 HydrophobicContact CD2-CE1 4.46Å; L190-F293 HydrophobicContact CD1-CD1 3.8Å; L190-F293 HydrophobicContact CD1-CE1 4.25Å; L209-F293 HydrophobicContact CD2-CE2 4.18Å; L209-F293 HydrophobicContact CD2-CZ 3.78Å; L212-F293 HydrophobicContact CD2-CZ 3.95Å; I233-F293 HydrophobicContact CB-CD1 4.43Å; I233-F293 HydrophobicContact CD1-CD1 3.93Å; I233-F293 HydrophobicContact CD1-CE1 3.36Å; I233-F293 HydrophobicContact CD1-CZ 3.89Å; I233-F293 HydrophobicContact CG1-CD1 4.07Å; I233-F293 HydrophobicContact CG1-CE1 3.99Å; V291-F293 HydrophobicContact CB-CE2 3.96Å; V291-F293 HydrophobicContact CG1-CD2 3.85Å; V291-F293 HydrophobicContact CG1-CE1 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.31Å; V291-F293 HydrophobicContact CG1-CZ 3.57Å; F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.91Å; F293-L298 HydrophobicContact CD1-CD1 4.38Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CZ-CD1 4.23Å; F293-F299 AromaticContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CZ 4.11Å; F293-F299 HydrophobicContact CE2-CE2 4.18Å; F293-F299 HydrophobicContact CE2-CZ 4.01Å; F293-F299 HydrophobicContact CG-CE2 4.13Å; F293-K311 WeakPolarHBondContact O-CA 3.49Å; F293-V312 HydrophobicContact CB-CB 4.26Å; F293-V312 PolarHBondContact N-O 3.46Å; F293-V312 PolarHBondContact O-N 3.47Å; F293-Y384 HydrophobicContact CE2-CD1 4.22Å; F293-Y384 AromaticContact CE2-CE1 3.86Å; F293-Y384 HydrophobicContact CE2-CE1 3.86Å |
| 294 | S | 89.7 | Confident | 82.6 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 35.9 | 170.1 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | R232 E310 | R232-S294 WeakPolarHBondContact CD-O 3.37Å; R232-S294 PolarHBondContact NH1-O 3.36Å; R232-S294 PolarHBondContact O-N 3.29Å; S294-E310 CarbonylContact C-O 3.45Å |
| 295 | S | 86.3 | Confident | 83.3 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | trans | -161.8 | 136.3 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | F293 A297 E310 | F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.91Å; S295-A297 VanDerWaalsContact C-N 3.32Å; S295-A297 PolarHBondContact O-N 3.33Å; S295-A297 PolarHBondContact OG-N 2.91Å; S295-E310 CarbonylContact C-O 3.53Å; S295-E310 VanDerWaalsContact C-O 3.31Å; S295-E310 WeakPolarHBondContact CA-O 3.39Å; S295-E310 PolarHBondContact N-O 3.37Å | ||
| 296 | Q | 84.1 | Confident | 83.7 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | trans | -87.4 | 8.9 | 176.5 | 66.8 | 179.4 | 12.8 | 0 | 0 | 114.1 | L298 F299 V307 E310 | Q296-L298 PolarHBondContact O-N 3.48Å; Q296-L298 VanDerWaalsContact O-N 3.13Å; Q296-F299 CarbonylContact O-C 3.58Å; Q296-F299 PolarHBondContact O-N 2.86Å; Q296-V307 HydrophobicContact CB-CB 4.49Å; Q296-V307 HydrophobicContact CB-CG2 4.37Å; Q296-V307 VanDerWaalsContact OE1-CB 3.28Å; Q296-E310 HydrophobicContact CB-CB 4.47Å; Q296-E310 HydrophobicContact CG-CB 4.42Å; Q296-E310 HydrophobicContact CG-CG 4.27Å | ||
| 297 | A | 83.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L190 P193 S295 | L190-A297 HydrophobicContact CD2-CB 3.93Å; P193-A297 HydrophobicContact CB-CB 4.15Å; P193-A297 HydrophobicContact CG-CB 4.4Å; S295-A297 VanDerWaalsContact C-N 3.32Å; S295-A297 PolarHBondContact O-N 3.33Å; S295-A297 PolarHBondContact OG-N 2.91Å |
| 298 | L | 84.1 | Confident | 83.8 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -12.4 | 174.3 | -66 | 173.2 | 0 | 0 | 0 | 113.4 | L186 F189 L190 A205 L209 F293 Q296 | L186-L298 HydrophobicContact CD1-CD1 4.37Å; F189-L298 HydrophobicContact CE1-CD2 4.05Å; L190-L298 HydrophobicContact CD2-CD1 4.08Å; L190-L298 HydrophobicContact CD2-CG 3.83Å; A205-L298 HydrophobicContact CB-CB 4.34Å; A205-L298 HydrophobicContact CB-CD2 4.21Å; A205-L298 WeakPolarHBondContact CB-O 3.29Å; L209-L298 HydrophobicContact CD2-CD1 4.14Å; F293-L298 HydrophobicContact CD1-CD1 4.38Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CZ-CD1 4.23Å; Q296-L298 PolarHBondContact O-N 3.48Å; Q296-L298 VanDerWaalsContact O-N 3.13Å |
| 299 | F | 85.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | trans | -124.4 | 54.5 | -168.2 | -51.9 | -82.1 | 0 | 0 | 0 | 110.6 | L209 F293 Q296 V312 W349 W361 Y384 | L209-F299 HydrophobicContact CD1-CD1 4.5Å; L209-F299 HydrophobicContact CD1-CE1 3.63Å; L209-F299 HydrophobicContact CD1-CZ 4.03Å; L209-F299 HydrophobicContact CD2-CE1 4.39Å; L209-F299 HydrophobicContact CD2-CZ 3.94Å; F293-F299 AromaticContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CZ 4.11Å; F293-F299 HydrophobicContact CE2-CE2 4.18Å; F293-F299 HydrophobicContact CE2-CZ 4.01Å; F293-F299 HydrophobicContact CG-CE2 4.13Å; Q296-F299 CarbonylContact O-C 3.58Å; Q296-F299 PolarHBondContact O-N 2.86Å; F299-V312 HydrophobicContact CD1-CG1 4.43Å; F299-V312 HydrophobicContact CD2-CB 4.04Å; F299-V312 HydrophobicContact CD2-CG1 3.94Å; F299-V312 HydrophobicContact CD2-CG2 3.77Å; F299-V312 HydrophobicContact CE1-CG1 4.19Å; F299-V312 HydrophobicContact CE2-CB 3.88Å; F299-V312 HydrophobicContact CE2-CG1 3.68Å; F299-V312 HydrophobicContact CE2-CG2 4.15Å; F299-V312 HydrophobicContact CG-CG1 4.31Å; F299-V312 HydrophobicContact CG-CG2 4.35Å; F299-V312 HydrophobicContact CZ-CB 4.49Å; F299-V312 HydrophobicContact CZ-CG1 3.81Å; F299-W349 HydrophobicContact CB-CD2 4.28Å; F299-W349 HydrophobicContact CB-CE3 4.05Å; F299-W349 HydrophobicContact CB-CZ3 4.19Å; F299-W349 HydrophobicContact CD1-CB 4.04Å; F299-W349 AromaticContact CD1-CD1 3.78Å; F299-W349 AromaticContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CE3 4.3Å; F299-W349 AromaticContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CE1-CB 4.38Å; F299-W349 HydrophobicContact CE1-CG 4.12Å; F299-W361 HydrophobicContact CB-CH2 3.56Å; F299-W361 HydrophobicContact CB-CZ2 3.33Å; F299-W361 HydrophobicContact CD1-CH2 4.23Å; F299-W361 AromaticContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CZ2 4.25Å; F299-W361 WeakPolarHBondContact O-CZ2 3.22Å; F299-Y384 HydrophobicContact CE1-CD1 4.06Å; F299-Y384 HydrophobicContact CE1-CD2 4.42Å; F299-Y384 AromaticContact CE1-CG 3.88Å; F299-Y384 HydrophobicContact CE1-CG 3.88Å; F299-Y384 AromaticContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CE1 4.33Å; F299-Y384 HydrophobicContact CZ-CG 4.1Å | ||
| 300 | Q | 79.2 | Confident | 83.3 | Confident | 109 Ų | 109 | 40.6 Ų | 40.6 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | trans | -96.9 | 114.5 | 178.8 | -65.2 | -172.7 | -4.6 | 0 | 0 | 109.9 | P358 | Q300-P358 WeakPolarHBondContact O-CB 3.42Š| ||
| 301 | D | 73.4 | Confident | 83.2 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | trans | -85.3 | 169.3 | 171.7 | 70.7 | -43.1 | 0 | 0 | 0 | 111.2 | N303 S304 S305 W349 G359 | D301-N303 PolarHBondContact O-N 2.79Å; D301-N303 VanDerWaalsContact O-N 3.11Å; D301-N303 WeakPolarHBondContact OD2-CB 3.36Å; D301-N303 PolarHBondContact OD2-N 2.87Å; D301-S304 PolarHBondContact O-N 3.24Å; D301-S304 PolarHBondContact OD1-N 3.31Å; D301-S305 WeakPolarHBondContact OD1-CB 3Å; D301-S305 PolarHBondContact OD1-N 3.33Å; D301-S305 PolarHBondContact OD1-OG 3.47Å; D301-S305 PolarHBondContact OD2-OG 3.28Å; D301-W349 HydrophobicContact CB-CZ3 4.34Å; D301-G359 WeakPolarHBondContact CA-O 3.33Å | ||
| 302 | K | 69 | Low | 83.1 | Confident | 147 Ų | 147 | 40.3 Ų | 40.3 | 64% | 0.639 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.2 | 178.9 | -66.6 | -179 | -175.9 | 168.6 | 0 | 113.7 | S357 P358 | K302-S357 VanDerWaalsContact CE-OG 3.27Å; K302-S357 WeakPolarHBondContact CE-OG 3.32Å; K302-S357 PolarHBondContact NZ-OG 2.94Å; K302-S357 VanDerWaalsContact NZ-OG 3.12Å; K302-P358 HydrophobicContact CG-CG 3.96Å |
| 303 | N | 67.5 | Low | 83.2 | Confident | 130 Ų | 130 | 40.1 Ų | 40.1 | 70% | 0.695 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.2 | -179.2 | -60.9 | -11.8 | 0 | 0 | 0 | 113.2 | D301 S305 | D301-N303 PolarHBondContact O-N 2.79Å; D301-N303 VanDerWaalsContact O-N 3.11Å; D301-N303 WeakPolarHBondContact OD2-CB 3.36Å; D301-N303 PolarHBondContact OD2-N 2.87Å; N303-S305 PolarHBondContact O-N 3.12Å |
| 304 | S | 72 | Confident | 83.3 | Confident | 98 Ų | 98 | 40.2 Ų | 40.2 | 69% | 0.685 | 22% | 0.218 | S | C | * | . | trans | 51.8 | 45.5 | -174.1 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | D301 | D301-S304 PolarHBondContact O-N 3.24Å; D301-S304 PolarHBondContact OD1-N 3.31Å | ||
| 305 | S | 75.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 138.6 | -176.1 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | D301 N303 L388 | D301-S305 WeakPolarHBondContact OD1-CB 3Å; D301-S305 PolarHBondContact OD1-N 3.33Å; D301-S305 PolarHBondContact OD1-OG 3.47Å; D301-S305 PolarHBondContact OD2-OG 3.28Å; N303-S305 PolarHBondContact O-N 3.12Å; S305-L388 VanDerWaalsContact CB-CD1 3.44Å |
| 306 | Q | 79.5 | Confident | 83.8 | Confident | 108 Ų | 108 | 40 Ų | 40 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -85.1 | 119.4 | -176.6 | -175.1 | 176.3 | 4 | 0 | 0 | 111.5 | L388 M389 | Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.43Å; Q306-M389 HydrophobicContact CB-CB 4.37Å; Q306-M389 HydrophobicContact CG-CB 4.44Å; Q306-M389 HydrophobicContact CG-SD 4.08Å; Q306-M389 PolarHBondContact O-N 2.94Å |
| 307 | V | 86.3 | Confident | 84 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.8 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | Q296 G309 E310 K311 V312 W361 A386 L388 | Q296-V307 HydrophobicContact CB-CB 4.49Å; Q296-V307 HydrophobicContact CB-CG2 4.37Å; Q296-V307 VanDerWaalsContact OE1-CB 3.28Å; V307-G309 PolarHBondContact O-N 3.15Å; V307-E310 PolarHBondContact O-N 3.39Å; V307-E310 VanDerWaalsContact O-N 3.08Å; V307-K311 WeakPolarHBondContact CG1-O 3.44Å; V307-V312 HydrophobicContact CG1-CG2 4.45Å; V307-W361 HydrophobicContact CG2-CH2 4.49Å; V307-W361 HydrophobicContact CG2-CZ2 3.82Å; V307-A386 HydrophobicContact CG1-CB 3.77Å; V307-A386 HydrophobicContact CG2-CB 4.14Å; V307-L388 HydrophobicContact CG2-CD1 4.18Å |
| 308 | L | 86.7 | Confident | 84 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 121.1 | 174.9 | 178.5 | 66.7 | 0 | 0 | 0 | 110.5 | E261 I262 E310 K311 H335 L344 V387 M389 | E261-L308 HydrophobicContact CB-CD1 4.42Å; I262-L308 HydrophobicContact CD1-CB 4.39Å; I262-L308 HydrophobicContact CD1-CD2 4.19Å; I262-L308 HydrophobicContact CD1-CG 3.91Å; I262-L308 WeakPolarHBondContact CD1-O 3.17Å; I262-L308 HydrophobicContact CG1-CD2 4.04Å; I262-L308 HydrophobicContact CG1-CG 3.85Å; L308-E310 PolarHBondContact O-N 2.93Å; L308-K311 PolarHBondContact O-N 3.16Å; L308-K311 VanDerWaalsContact O-N 3.17Å; L308-H335 HydrophobicContact CD2-CB 4.05Å; L308-L344 HydrophobicContact CD1-CD2 4.38Å; L308-L344 HydrophobicContact CD2-CD1 4.32Å; L308-L344 HydrophobicContact CD2-CD2 4.2Å; L308-V387 HydrophobicContact CB-CB 4.07Å; L308-V387 HydrophobicContact CB-CG1 4.24Å; L308-V387 VanDerWaalsContact CB-O 3.27Å; L308-V387 WeakPolarHBondContact CB-O 3.22Å; L308-V387 HydrophobicContact CD2-CB 4.07Å; L308-V387 HydrophobicContact CD2-CG1 3.9Å; L308-V387 PolarHBondContact N-O 3.25Å; L308-M389 HydrophobicContact CB-CE 4.4Å; L308-M389 HydrophobicContact CB-CG 4.35Å; L308-M389 HydrophobicContact CD1-CE 3.33Å; L308-M389 HydrophobicContact CG-CE 4.44Å |
| 309 | G | 85.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | 15.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E261 V307 K311 | E261-G309 WeakPolarHBondContact OE2-CA 3.45Å; E261-G309 PolarHBondContact OE2-N 2.94Å; V307-G309 PolarHBondContact O-N 3.15Å; G309-K311 PolarHBondContact O-N 3.19Å |
| 310 | E | 87 | Confident | 83.7 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52 | 22.3 | -169.7 | -54.1 | -174.3 | 173.4 | 0 | 0 | 114.1 | S294 S295 Q296 V307 L308 | S294-E310 CarbonylContact C-O 3.45Å; S295-E310 CarbonylContact C-O 3.53Å; S295-E310 VanDerWaalsContact C-O 3.31Å; S295-E310 WeakPolarHBondContact CA-O 3.39Å; S295-E310 PolarHBondContact N-O 3.37Å; Q296-E310 HydrophobicContact CB-CB 4.47Å; Q296-E310 HydrophobicContact CG-CB 4.42Å; Q296-E310 HydrophobicContact CG-CG 4.27Å; V307-E310 PolarHBondContact O-N 3.39Å; V307-E310 VanDerWaalsContact O-N 3.08Å; L308-E310 PolarHBondContact O-N 2.93Å |
| 311 | K | 91.5 | Very high | 83.9 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.9 | -171.5 | -164.1 | 79.1 | 166.5 | 177.2 | 0 | 110.6 | E256 I262 Y265 D292 F293 V307 L308 G309 | E256-K311 IonicContact OE1-NZ 3.93Å; E256-K311 PolarHBondContact OE1-NZ 3.09Å; I262-K311 HydrophobicContact CD1-CB 3.41Å; I262-K311 VanDerWaalsContact CD1-CB 3.41Å; I262-K311 HydrophobicContact CD1-CG 4Å; Y265-K311 VanDerWaalsContact CE1-CE 3.49Å; D292-K311 VanDerWaalsContact CG-CE 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.43Å; D292-K311 WeakPolarHBondContact OD1-CE 3.12Å; D292-K311 IonicContact OD1-NZ 3.97Å; D292-K311 PolarHBondContact OD1-NZ 3.47Å; D292-K311 WeakPolarHBondContact OD2-CE 3.28Å; D292-K311 IonicContact OD2-NZ 3.5Å; D292-K311 PolarHBondContact OD2-NZ 3.16Å; F293-K311 WeakPolarHBondContact O-CA 3.49Å; V307-K311 WeakPolarHBondContact CG1-O 3.44Å; L308-K311 PolarHBondContact O-N 3.16Å; L308-K311 VanDerWaalsContact O-N 3.17Å; G309-K311 PolarHBondContact O-N 3.19Å |
| 312 | V | 93.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.7 | 176.6 | -174 | 0 | 0 | 0 | 0 | 109.5 | F293 F299 V307 W361 F385 A386 | F293-V312 HydrophobicContact CB-CB 4.26Å; F293-V312 PolarHBondContact N-O 3.46Å; F293-V312 PolarHBondContact O-N 3.47Å; F299-V312 HydrophobicContact CD1-CG1 4.43Å; F299-V312 HydrophobicContact CD2-CB 4.04Å; F299-V312 HydrophobicContact CD2-CG1 3.94Å; F299-V312 HydrophobicContact CD2-CG2 3.77Å; F299-V312 HydrophobicContact CE1-CG1 4.19Å; F299-V312 HydrophobicContact CE2-CB 3.88Å; F299-V312 HydrophobicContact CE2-CG1 3.68Å; F299-V312 HydrophobicContact CE2-CG2 4.15Å; F299-V312 HydrophobicContact CG-CG1 4.31Å; F299-V312 HydrophobicContact CG-CG2 4.35Å; F299-V312 HydrophobicContact CZ-CB 4.49Å; F299-V312 HydrophobicContact CZ-CG1 3.81Å; V307-V312 HydrophobicContact CG1-CG2 4.45Å; V312-W361 HydrophobicContact CG1-CH2 4.28Å; V312-W361 HydrophobicContact CG2-CH2 4.16Å; V312-F385 CarbonylContact C-O 3.6Å; V312-F385 WeakPolarHBondContact CA-O 3.37Å; V312-A386 HydrophobicContact CG2-CB 4.26Å |
| 313 | L | 95.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.1 | -177.3 | -163.3 | 68.6 | 0 | 0 | 0 | 111.2 | Y265 V267 L290 V291 D292 I315 L331 Y384 F385 | Y265-L313 HydrophobicContact CD2-CD2 4.01Å; Y265-L313 HydrophobicContact CE2-CD1 3.84Å; Y265-L313 HydrophobicContact CE2-CD2 4.02Å; V267-L313 HydrophobicContact CG2-CD2 3.39Å; L290-L313 HydrophobicContact CD1-CD1 3.64Å; L290-L313 HydrophobicContact CD1-CD2 3.95Å; L290-L313 HydrophobicContact CD1-CG 3.7Å; L290-L313 HydrophobicContact CD2-CD1 4.48Å; L290-L313 HydrophobicContact CG-CD1 4.01Å; V291-L313 CarbonylContact O-C 3.44Å; V291-L313 WeakPolarHBondContact O-CA 3.26Å; D292-L313 HydrophobicContact CB-CD1 3.83Å; L313-I315 HydrophobicContact CD2-CD1 4.48Å; L313-L331 HydrophobicContact CD2-CD2 3.58Å; L313-Y384 CarbonylContact O-C 3.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.4Å; L313-F385 PolarHBondContact N-O 2.99Å; L313-F385 PolarHBondContact O-N 3.2Å |
| 314 | G | 94.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L290 V291 T383 | L290-G314 CarbonylContact C-O 3.37Å; L290-G314 VanDerWaalsContact CA-O 3.28Å; L290-G314 WeakPolarHBondContact CA-O 3Å; V291-G314 PolarHBondContact N-O 3.46Å; V291-G314 PolarHBondContact O-N 2.9Å; G314-T383 WeakPolarHBondContact CA-O 3.08Å |
| 315 | I | 94.4 | Very high | 87 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.6 | 169.9 | -53.7 | 166.7 | 0 | 0 | 0 | 107.5 | V267 L269 L288 L289 L290 L313 V329 L331 L382 T383 F385 | V267-I315 HydrophobicContact CG1-CD1 3.55Å; L269-I315 HydrophobicContact CD1-CG2 4.43Å; L269-I315 HydrophobicContact CD2-CD1 4.43Å; L269-I315 HydrophobicContact CD2-CG2 4.05Å; L288-I315 HydrophobicContact CD1-CG2 3.93Å; L289-I315 WeakPolarHBondContact O-CA 3.5Å; L290-I315 HydrophobicContact CD1-CD1 4.33Å; L290-I315 HydrophobicContact CD1-CG1 3.54Å; L313-I315 HydrophobicContact CD2-CD1 4.48Å; I315-V329 HydrophobicContact CD1-CG1 4.29Å; I315-L331 HydrophobicContact CD1-CD2 3.73Å; I315-L382 HydrophobicContact CB-CD2 4.11Å; I315-L382 HydrophobicContact CG2-CD1 4.3Å; I315-L382 HydrophobicContact CG2-CD2 3.7Å; I315-L382 HydrophobicContact CG2-CG 4.48Å; I315-L382 CarbonylContact O-C 3.56Å; I315-L382 WeakPolarHBondContact O-CB 3.27Å; I315-T383 PolarHBondContact N-O 3.1Å; I315-T383 PolarHBondContact O-N 2.85Å; I315-F385 HydrophobicContact CD1-CD2 4.33Å; I315-F385 HydrophobicContact CD1-CE2 4.36Å |
| 316 | V | 91.8 | Very high | 87.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.8 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | L289 | L289-V316 PolarHBondContact N-O 3.14Å; L289-V316 PolarHBondContact O-N 3.28Å |
| 317 | V | 88.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 170.8 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | L240 T277 L288 N319 T320 L382 | L240-V317 HydrophobicContact CD1-CG1 4.41Å; T277-V317 HydrophobicContact CG2-CG1 4.28Å; L288-V317 HydrophobicContact CD1-CG2 3.87Å; V317-N319 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact CB-OG1 3.25Å; V317-T320 WeakPolarHBondContact CB-OG1 3.33Å; V317-T320 WeakPolarHBondContact CG1-OG1 3.48Å; V317-T320 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact O-N 3.15Å; V317-T320 PolarHBondContact O-OG1 3.31Å; V317-L382 HydrophobicContact CG2-CD1 3.71Å |
| 318 | Q | 84.2 | Confident | 88.4 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 125 | -175.3 | -178.1 | 179.3 | 19.8 | 0 | 0 | 112.4 | T217 R287 T320 | T217-Q318 HydrophobicContact CG2-CB 3.88Å; T217-Q318 HydrophobicContact CG2-CG 3.9Å; T217-Q318 PolarHBondContact O-NE2 3.21Å; R287-Q318 HydrophobicContact CB-CB 4.22Å; R287-Q318 PolarHBondContact O-N 3.2Å; Q318-T320 PolarHBondContact O-N 2.92Å |
| 319 | N | 79.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 52.7 Ų | 52.7 | 85% | 0.85 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 21.4 | 176.4 | -64.7 | -13.4 | 0 | 0 | 0 | 115.1 | V317 | V317-N319 PolarHBondContact O-N 2.99Š|
| 320 | T | 82.8 | Confident | 89.3 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -135.9 | 118.6 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | K286 V317 Q318 V322 | K286-T320 HydrophobicContact CD-CG2 4.34Å; V317-T320 VanDerWaalsContact CB-OG1 3.25Å; V317-T320 WeakPolarHBondContact CB-OG1 3.33Å; V317-T320 WeakPolarHBondContact CG1-OG1 3.48Å; V317-T320 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact O-N 3.15Å; V317-T320 PolarHBondContact O-OG1 3.31Å; Q318-T320 PolarHBondContact O-N 2.92Å; T320-V322 PolarHBondContact O-N 3.34Å |
| 321 | K | 84 | Confident | 89.7 | Confident | 218 Ų | 218 | 48.6 Ų | 48.6 | 95% | 0.948 | 27% | 0.266 | S | S | * | . | trans | -79.4 | 117.9 | 167.2 | -68.8 | -169.2 | 176.9 | -171.7 | 0 | 109 | ||||
| 322 | V | 85 | Confident | 89.9 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | trans | -104 | 118.1 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L273 T320 L325 H381 L382 | L273-V322 HydrophobicContact CD1-CB 4.35Å; L273-V322 HydrophobicContact CD1-CG1 3.59Å; L273-V322 HydrophobicContact CD1-CG2 4.05Å; T320-V322 PolarHBondContact O-N 3.34Å; V322-L325 HydrophobicContact CG1-CD1 3.98Å; V322-L325 HydrophobicContact CG1-CD2 3.61Å; V322-L325 HydrophobicContact CG1-CG 3.85Å; V322-H381 VanDerWaalsContact O-CA 3.29Å; V322-H381 WeakPolarHBondContact O-CA 3.44Å; V322-H381 VanDerWaalsContact O-CB 3.29Å; V322-H381 WeakPolarHBondContact O-CB 3.18Å; V322-L382 HydrophobicContact CB-CB 4.14Å; V322-L382 HydrophobicContact CB-CD1 3.98Å; V322-L382 HydrophobicContact CB-CG 4.01Å; V322-L382 HydrophobicContact CG1-CD1 4.24Å; V322-L382 HydrophobicContact CG1-CG 4.16Å; V322-L382 HydrophobicContact CG2-CD1 4.04Å; V322-L382 PolarHBondContact O-N 3.33Å; V322-L382 VanDerWaalsContact O-N 3.08Å | ||
| 323 | A | 87.2 | Confident | 90 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | trans | -144.6 | 163.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L325 N380 H381 | A323-L325 PolarHBondContact O-N 3.38Å; A323-N380 CarbonylContact C-O 3.51Å; A323-H381 HydrophobicContact CB-CB 4.21Å | ||
| 324 | N | 86.7 | Confident | 89.9 | Confident | 130 Ų | 130 | 53 Ų | 53 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | trans | 53.5 | 48.4 | -178.4 | -62.8 | -23.9 | 0 | 0 | 0 | 113 | N380 | N324-N380 PolarHBondContact N-O 2.87Š| ||
| 325 | L | 87.2 | Confident | 89.6 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | trans | -66.2 | 134.8 | 170.3 | -66 | 169.8 | 0 | 0 | 0 | 110.2 | L273 V322 A323 E327 V329 N380 | L273-L325 HydrophobicContact CD1-CD2 4.23Å; V322-L325 HydrophobicContact CG1-CD1 3.98Å; V322-L325 HydrophobicContact CG1-CD2 3.61Å; V322-L325 HydrophobicContact CG1-CG 3.85Å; A323-L325 PolarHBondContact O-N 3.38Å; L325-E327 WeakPolarHBondContact CB-O 3.48Å; L325-V329 HydrophobicContact CD1-CG2 3.82Å; L325-N380 WeakPolarHBondContact CB-O 3.42Å; L325-N380 WeakPolarHBondContact CG-O 3.28Å; L325-N380 PolarHBondContact N-O 2.86Å | ||
| 326 | T | 87.3 | Confident | 89.1 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 85% | 0.853 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -71.3 | -38.1 | 175.1 | 5.4 | 0 | 0 | 0 | 0 | 112 | ||
| 327 | E | 90.8 | Very high | 88.5 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -102.7 | 125.4 | 170.4 | -69.5 | 171.6 | 170.3 | 0 | 0 | 108.4 | P270 T272 L325 | P270-E327 HydrophobicContact CB-CB 3.9Å; P270-E327 WeakPolarHBondContact CB-OE2 3.42Å; P270-E327 HydrophobicContact CG-CB 4.16Å; T272-E327 HydrophobicContact CG2-CG 4.46Å; T272-E327 WeakPolarHBondContact CG2-OE2 3.25Å; T272-E327 PolarHBondContact OG1-OE2 3.45Å; L325-E327 WeakPolarHBondContact CB-O 3.48Å |
| 328 | P | 93.3 | Very high | 87.8 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 149.4 | -177 | 30.2 | -34.8 | 0 | 0 | 0 | 111.8 | F378 C379 | P328-F378 HydrophobicContact CB-CB 4.07Å; P328-F378 HydrophobicContact CG-CB 4.3Å; P328-F378 HydrophobicContact CG-CD1 4.01Å; P328-C379 CarbonylContact C-O 3.5Å; P328-C379 WeakPolarHBondContact CA-O 3.44Å |
| 329 | V | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.3 | 163.9 | 178 | 0 | 0 | 0 | 0 | 108.1 | V267 L269 I315 L325 L331 F378 C379 L382 | V267-V329 HydrophobicContact CG1-CG1 4.26Å; L269-V329 HydrophobicContact CD2-CB 4.46Å; L269-V329 HydrophobicContact CD2-CG1 3.69Å; L269-V329 HydrophobicContact CD2-CG2 3.91Å; I315-V329 HydrophobicContact CD1-CG1 4.29Å; L325-V329 HydrophobicContact CD1-CG2 3.82Å; V329-L331 HydrophobicContact CG1-CG 4.46Å; V329-F378 WeakPolarHBondContact O-CA 3.28Å; V329-C379 PolarHBondContact N-O 3.03Å; V329-C379 PolarHBondContact O-N 3.4Å; V329-L382 HydrophobicContact CG2-CD2 3.7Å |
| 330 | V | 96 | Very high | 86.3 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114 | -179.6 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | V267 L268 C377 F378 | V267-V330 WeakPolarHBondContact CA-O 3.43Å; L268-V330 HydrophobicContact CB-CB 3.99Å; L268-V330 HydrophobicContact CB-CG2 4.48Å; L268-V330 HydrophobicContact CD2-CB 4.4Å; L268-V330 HydrophobicContact CD2-CG2 4.14Å; L268-V330 PolarHBondContact N-O 3.46Å; L268-V330 PolarHBondContact O-N 2.87Å; L268-V330 VanDerWaalsContact O-N 3.09Å; V330-C377 WeakPolarHBondContact CA-O 3.22Å; V330-F378 HydrophobicContact CB-CD1 4.46Å; V330-F378 HydrophobicContact CB-CE1 4.34Å; V330-F378 HydrophobicContact CG1-CD1 4.19Å; V330-F378 HydrophobicContact CG1-CE1 3.78Å; V330-F378 HydrophobicContact CG1-CZ 3.97Å; V330-F378 HydrophobicContact CG2-CD1 3.66Å; V330-F378 HydrophobicContact CG2-CE1 3.61Å |
| 331 | L | 96.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.4 | 170.9 | -50.8 | 119.4 | 0 | 0 | 0 | 107.8 | S266 V267 L313 I315 V329 F333 S376 C377 F385 | S266-L331 CarbonylContact O-C 3.55Å; S266-L331 WeakPolarHBondContact O-CA 3.24Å; V267-L331 HydrophobicContact CG1-CD2 4.45Å; V267-L331 HydrophobicContact CG2-CD2 4.35Å; L313-L331 HydrophobicContact CD2-CD2 3.58Å; I315-L331 HydrophobicContact CD1-CD2 3.73Å; V329-L331 HydrophobicContact CG1-CG 4.46Å; L331-F333 HydrophobicContact CB-CE2 3.74Å; L331-F333 HydrophobicContact CB-CZ 4.27Å; L331-S376 CarbonylContact O-C 3.55Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.45Å; L331-C377 HydrophobicContact CB-CB 4.12Å; L331-C377 HydrophobicContact CD1-CB 3.93Å; L331-C377 PolarHBondContact N-O 2.9Å; L331-C377 PolarHBondContact O-N 3.37Å; L331-F385 HydrophobicContact CD1-CB 4.16Å; L331-F385 HydrophobicContact CD1-CD1 4.26Å; L331-F385 HydrophobicContact CD1-CD2 3.92Å; L331-F385 HydrophobicContact CD1-CE2 4.43Å; L331-F385 HydrophobicContact CD1-CG 3.83Å; L331-F385 HydrophobicContact CD2-CB 4.38Å; L331-F385 HydrophobicContact CD2-CD2 4.08Å; L331-F385 HydrophobicContact CD2-CG 4.44Å |
| 332 | T | 95.8 | Very high | 84.7 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.8 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | Y265 S266 Q374 T375 S376 | Y265-T332 CarbonylContact C-O 3.58Å; Y265-T332 WeakPolarHBondContact CA-O 3.32Å; S266-T332 PolarHBondContact N-O 3.05Å; S266-T332 PolarHBondContact O-N 3.09Å; S266-T332 WeakPolarHBondContact OG-CB 3.48Å; T332-Q374 HydrophobicContact CG2-CG 3.5Å; T332-Q374 VanDerWaalsContact CG2-NE2 3.26Å; T332-T375 WeakPolarHBondContact CA-O 3.35Å; T332-S376 WeakPolarHBondContact CG2-OG 3.49Å; T332-S376 PolarHBondContact OG1-OG 3.47Å; T332-S376 VanDerWaalsContact OG1-OG 3.05Å |
| 333 | F | 94.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.8 | 178.8 | -61 | -90.7 | 0 | 0 | 0 | 108.6 | I262 L331 Q374 T375 V387 | I262-F333 HydrophobicContact CD1-CD1 4.15Å; I262-F333 HydrophobicContact CG2-CD1 4.47Å; L331-F333 HydrophobicContact CB-CE2 3.74Å; L331-F333 HydrophobicContact CB-CZ 4.27Å; F333-Q374 CarbonylContact O-C 3.48Å; F333-Q374 WeakPolarHBondContact O-CA 3.43Å; F333-T375 PolarHBondContact N-O 3.46Å; F333-T375 PolarHBondContact O-N 3.49Å; F333-V387 HydrophobicContact CD2-CG2 3.43Å; F333-V387 VanDerWaalsContact CD2-CG2 3.43Å; F333-V387 HydrophobicContact CE2-CG2 3.67Å; F333-V387 HydrophobicContact CG-CG2 3.97Å; F333-V387 HydrophobicContact CZ-CG2 4.36Å |
| 334 | Q | 93 | Very high | 84.6 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.9 | 167.6 | -60.6 | -159.6 | 18 | 0 | 0 | 108.8 | I262 M263 E264 | I262-Q334 CarbonylContact C-O 3.59Å; I262-Q334 WeakPolarHBondContact CA-O 3.45Å; M263-Q334 PolarHBondContact N-O 2.95Å; E264-Q334 VanDerWaalsContact CD-CD 3.48Å; E264-Q334 HydrophobicContact CG-CB 3.59Å; E264-Q334 HydrophobicContact CG-CG 3.59Å; E264-Q334 PolarHBondContact N-O 3.25Å; E264-Q334 PolarHBondContact O-N 3.41Å; E264-Q334 PolarHBondContact OE1-NE2 2.68Å |
| 335 | H | 88.1 | Confident | 84.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.6 | -174.9 | 58 | 72 | 0 | 0 | 0 | 110.9 | E261 I262 L308 L344 E372 T373 Q374 T375 | E261-H335 CarbonylContact O-C 3.53Å; E261-H335 WeakPolarHBondContact O-CA 3.38Å; E261-H335 VanDerWaalsContact O-CB 3.27Å; E261-H335 WeakPolarHBondContact O-CB 3.19Å; I262-H335 HydrophobicContact CG1-CB 4.43Å; L308-H335 HydrophobicContact CD2-CB 4.05Å; H335-L344 VanDerWaalsContact NE2-CD1 3.26Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.32Å; H335-E372 PolarHBondContact CE1-O 3.41Å; H335-T373 PolarHBondContact N-O 3.4Å; H335-T373 CarbonylContact O-C 3.58Å; H335-T373 WeakPolarHBondContact O-CA 3.26Å; H335-T373 VanDerWaalsContact O-O 3.11Å; H335-Q374 PolarHBondContact NE2-N 2.88Å; H335-T375 PolarHBondContact NE2-OG1 2.88Å |
| 336 | Q | 84.2 | Confident | 85.1 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 157.1 | 170.3 | -58.9 | -170.3 | 13.7 | 0 | 0 | 110.4 | E258 S260 E261 M263 Q338 | E258-Q336 PolarHBondContact O-NE2 3.23Å; S260-Q336 PolarHBondContact O-NE2 3.39Å; E261-Q336 PolarHBondContact O-N 3.14Å; M263-Q336 HydrophobicContact SD-CG 4.43Å; Q336-Q338 PolarHBondContact O-N 2.65Å; Q336-Q338 PolarHBondContact O-NE2 3.23Å |
| 337 | L | 79 | Confident | 85.5 | Confident | 122 Ų | 122 | 47.2 Ų | 47.2 | 64% | 0.639 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -55.6 | 117.1 | 179.1 | -177.7 | 67.5 | 0 | 0 | 0 | 109.6 | E372 | L337-E372 HydrophobicContact CD1-CB 3.94Š|
| 338 | Q | 74.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 148.8 | -178.5 | -65.2 | -57.9 | -43.9 | 0 | 0 | 111.3 | Q336 L344 | Q336-Q338 PolarHBondContact O-N 2.65Å; Q336-Q338 PolarHBondContact O-NE2 3.23Å; Q338-L344 HydrophobicContact CG-CD1 4.02Å; Q338-L344 HydrophobicContact CG-CD2 4.3Å; Q338-L344 HydrophobicContact CG-CG 4.48Å |
| 339 | P | 68 | Low | 85.5 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 140.8 | 172.9 | -25.7 | 36.3 | 0 | 0 | 0 | 112.2 | N341 V342 | P339-N341 WeakPolarHBondContact CB-OD1 3.1Å; P339-N341 PolarHBondContact O-N 3.31Å; P339-V342 HydrophobicContact CB-CG2 4.32Å; P339-V342 PolarHBondContact O-N 2.93Å |
| 340 | K | 65.2 | Low | 85.3 | Confident | 208 Ų | 208 | 45 Ų | 45 | 90% | 0.904 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.4 | -179.1 | -67.6 | -172.4 | 178.5 | -175.8 | 0 | 114.1 | V342 S392 | K340-V342 VanDerWaalsContact C-N 3.3Å; K340-S392 PolarHBondContact O-OG 3.33Å |
| 341 | N | 59.4 | Low | 84.6 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7.5 | 177.9 | 61.5 | -39.6 | 0 | 0 | 0 | 114.2 | P339 S391 S392 V393 | P339-N341 WeakPolarHBondContact CB-OD1 3.1Å; P339-N341 PolarHBondContact O-N 3.31Å; N341-S391 CarbonylContact O-C 3.54Å; N341-S391 WeakPolarHBondContact O-CA 3.38Å; N341-S392 VanDerWaalsContact CA-OG 3.23Å; N341-S392 WeakPolarHBondContact CA-OG 3.42Å; N341-S392 PolarHBondContact O-N 2.82Å; N341-S392 PolarHBondContact O-OG 3.4Å; N341-S392 VanDerWaalsContact O-OG 3.11Å; N341-V393 HydrophobicContact CB-CB 3.78Å; N341-V393 HydrophobicContact CB-CG2 3.71Å; N341-V393 PolarHBondContact O-N 3.4Å |
| 342 | V | 72.2 | Confident | 83.4 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.5 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 109 | P339 K340 L344 M389 V390 S392 | P339-V342 HydrophobicContact CB-CG2 4.32Å; P339-V342 PolarHBondContact O-N 2.93Å; K340-V342 VanDerWaalsContact C-N 3.3Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å; V342-M389 HydrophobicContact CG1-CB 3.66Å; V342-M389 HydrophobicContact CG1-CG 3.92Å; V342-M389 HydrophobicContact CG1-SD 4.46Å; V342-V390 CarbonylContact C-O 3.23Å; V342-S392 PolarHBondContact N-OG 3.37Å |
| 343 | T | 81.8 | Confident | 81.9 | Confident | 53 Ų | 53 | 54 Ų | 54 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.4 | 163.7 | 41.9 | 0 | 0 | 0 | 0 | 109.7 | V390 | T343-V390 PolarHBondContact N-O 3.41Å; T343-V390 WeakPolarHBondContact O-CA 3.37Å; T343-V390 WeakPolarHBondContact O-CB 3.43Å; T343-V390 PolarHBondContact O-N 3.18Å; T343-V390 VanDerWaalsContact O-O 3.1Å; T343-V390 PolarHBondContact OG1-O 3.38Å |
| 344 | L | 88.5 | Confident | 80.4 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.9 | 172.8 | -60.7 | 178.4 | 0 | 0 | 0 | 110.2 | L308 H335 Q338 V342 R370 T375 V387 L388 M389 | L308-L344 HydrophobicContact CD1-CD2 4.38Å; L308-L344 HydrophobicContact CD2-CD1 4.32Å; L308-L344 HydrophobicContact CD2-CD2 4.2Å; H335-L344 VanDerWaalsContact NE2-CD1 3.26Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.32Å; Q338-L344 HydrophobicContact CG-CD1 4.02Å; Q338-L344 HydrophobicContact CG-CD2 4.3Å; Q338-L344 HydrophobicContact CG-CG 4.48Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å; L344-R370 PolarHBondContact O-NE 2.9Å; L344-R370 PolarHBondContact O-NH2 2.76Å; L344-T375 HydrophobicContact CB-CG2 4.35Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.13Å; L344-V387 HydrophobicContact CB-CG1 3.78Å; L344-V387 HydrophobicContact CD2-CG1 4.09Å; L344-V387 HydrophobicContact CG-CG1 4.35Å; L344-L388 CarbonylContact C-O 3.59Å; L344-L388 WeakPolarHBondContact CA-O 3.47Å; L344-M389 HydrophobicContact CD2-CG 4.14Å |
| 345 | Q | 90.5 | Very high | 78.8 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.7 | 177.7 | -172.3 | 170.2 | 7.6 | 0 | 0 | 110.7 | V347 S363 V387 L388 V390 | Q345-V347 HydrophobicContact CG-CG1 4.38Å; Q345-V347 PolarHBondContact O-N 3.11Å; Q345-S363 PolarHBondContact NE2-OG 3.47Å; Q345-V387 CarbonylContact O-C 3.58Å; Q345-L388 PolarHBondContact N-O 3.35Å; Q345-L388 PolarHBondContact O-N 3.29Å; Q345-V390 HydrophobicContact CB-CG2 4.15Å |
| 346 | C | 94.9 | Very high | 77.5 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.5 | 174 | -59.2 | 0 | 0 | 0 | 0 | 110 | C366 T368 C377 | C346-C366 HydrophobicContact CB-CB 4.46Å; C346-T368 VanDerWaalsContact CB-OG1 3.31Å; C346-T368 WeakPolarHBondContact CB-OG1 3.33Å; C346-T368 PolarHBondContact N-OG1 3.41Å; C346-T368 PolarHBondContact SG-OG1 2.81Å; C346-C377 HydrophobicContact CB-CB 3.51Å; C346-C377 WeakPolarHBondContact CB-SG 3.3Å; C346-C377 WeakPolarHBondContact SG-CA 3.24Å; C346-C377 WeakPolarHBondContact SG-CB 3.46Å; C346-C377 CovalentContact SG-SG 2.01Å; C346-C377 PolarHBondContact SG-SG 3.48Å |
| 347 | V | 94.5 | Very high | 76.5 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 159.8 | -179.3 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | Q345 W361 S362 F385 A386 L388 | Q345-V347 HydrophobicContact CG-CG1 4.38Å; Q345-V347 PolarHBondContact O-N 3.11Å; V347-W361 HydrophobicContact CB-CB 4.18Å; V347-W361 HydrophobicContact CB-CE3 4.31Å; V347-W361 HydrophobicContact CG1-CB 4.49Å; V347-W361 HydrophobicContact CG2-CB 4.16Å; V347-W361 HydrophobicContact CG2-CD2 4Å; V347-W361 HydrophobicContact CG2-CE3 3.66Å; V347-W361 HydrophobicContact CG2-CG 4.24Å; V347-W361 HydrophobicContact CG2-CZ3 4.36Å; V347-S362 CarbonylContact C-O 3.25Å; V347-S362 VanDerWaalsContact CA-O 3.26Å; V347-S362 WeakPolarHBondContact CA-O 3.28Å; V347-S362 WeakPolarHBondContact CB-O 3.47Å; V347-F385 WeakPolarHBondContact O-CA 3.39Å; V347-A386 HydrophobicContact CG2-CB 4.15Å; V347-A386 WeakPolarHBondContact CG2-O 3.42Å; V347-A386 PolarHBondContact N-O 3.15Å; V347-A386 PolarHBondContact O-N 2.98Å; V347-A386 VanDerWaalsContact O-O 3.12Å; V347-L388 HydrophobicContact CG1-CB 4.23Å; V347-L388 HydrophobicContact CG2-CB 3.99Å |
| 348 | F | 93.8 | Very high | 75.9 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.6 | 170.4 | 77.5 | -82.2 | 0 | 0 | 0 | 110.7 | V350 S362 A364 H381 T383 Y384 F385 | F348-V350 HydrophobicContact CD2-CG2 4.06Å; F348-V350 HydrophobicContact CE1-CG2 4.48Å; F348-V350 HydrophobicContact CE2-CG2 3.34Å; F348-V350 HydrophobicContact CZ-CG2 3.59Å; F348-S362 WeakPolarHBondContact CD1-O 3.28Å; F348-S362 PolarHBondContact N-O 2.03Å; F348-S362 PolarHBondContact O-N 2.96Å; F348-A364 HydrophobicContact CE1-CB 4.06Å; F348-A364 WeakPolarHBondContact CE1-O 3.46Å; F348-H381 AromaticContact CD1-CE1 3.71Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.12Å; F348-H381 AromaticContact CD2-NE2 3.63Å; F348-H381 AromaticContact CE1-CE1 3.95Å; F348-H381 AromaticContact CE1-NE2 3.87Å; F348-H381 AromaticContact CG-NE2 3.27Å; F348-H381 VanDerWaalsContact CG-NE2 3.27Å; F348-H381 WeakPolarHBondContact CG-NE2 3.19Å; F348-T383 WeakPolarHBondContact CB-OG1 3.01Å; F348-T383 HydrophobicContact CD2-CG2 4.31Å; F348-Y384 CarbonylContact C-O 2.94Å; F348-Y384 WeakPolarHBondContact CA-O 3.42Å; F348-F385 HydrophobicContact CB-CD1 3.74Å; F348-F385 HydrophobicContact CB-CE1 3.81Å |
| 349 | W | 92 | Very high | 76.1 | Confident | 16 Ų | 16 | 59 Ų | 59 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.8 | 179.9 | -174.2 | -114 | 0 | 0 | 0 | 111.3 | F299 D301 G359 W361 Y384 | F299-W349 HydrophobicContact CB-CD2 4.28Å; F299-W349 HydrophobicContact CB-CE3 4.05Å; F299-W349 HydrophobicContact CB-CZ3 4.19Å; F299-W349 HydrophobicContact CD1-CB 4.04Å; F299-W349 AromaticContact CD1-CD1 3.78Å; F299-W349 AromaticContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CE3 4.3Å; F299-W349 AromaticContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CE1-CB 4.38Å; F299-W349 HydrophobicContact CE1-CG 4.12Å; D301-W349 HydrophobicContact CB-CZ3 4.34Å; W349-G359 WeakPolarHBondContact CH2-O 3.17Å; W349-G359 VanDerWaalsContact CZ2-CA 3.47Å; W349-W361 HydrophobicContact CB-CE3 4.18Å; W349-W361 HydrophobicContact CB-CH2 4.32Å; W349-W361 HydrophobicContact CB-CZ3 3.72Å; W349-W361 AromaticContact CE3-CD2 3.71Å; W349-W361 HydrophobicContact CE3-CD2 3.71Å; W349-W361 AromaticContact CE3-CE2 3.69Å; W349-W361 AromaticContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CG 4.35Å; W349-W361 AromaticContact CE3-CH2 3.98Å; W349-W361 HydrophobicContact CE3-CH2 3.98Å; W349-W361 AromaticContact CE3-CZ2 3.86Å; W349-W361 HydrophobicContact CE3-CZ2 3.86Å; W349-W361 AromaticContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CZ3-CD2 4.17Å; W349-W361 AromaticContact CZ3-CE2 3.87Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CZ2 4.23Å; W349-W361 AromaticContact CZ3-NE1 3.95Å; W349-Y384 PolarHBondContact N-O 3.14Å |
| 350 | V | 88.2 | Confident | 77 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.218 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117 | 172 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | F348 G359 H360 | F348-V350 HydrophobicContact CD2-CG2 4.06Å; F348-V350 HydrophobicContact CE1-CG2 4.48Å; F348-V350 HydrophobicContact CE2-CG2 3.34Å; F348-V350 HydrophobicContact CZ-CG2 3.59Å; V350-G359 CarbonylContact O-C 3.59Å; V350-G359 VanDerWaalsContact O-CA 3.28Å; V350-G359 WeakPolarHBondContact O-CA 3.37Å; V350-H360 WeakPolarHBondContact CB-O 3.23Å; V350-H360 VanDerWaalsContact CG1-CE1 3.45Å; V350-H360 WeakPolarHBondContact CG1-CE1 3.28Å; V350-H360 PolarHBondContact N-O 2.65Å; V350-H360 PolarHBondContact O-N 3.42Å |
| 351 | E | 81.9 | Confident | 78.1 | Confident | 63 Ų | 63 | 51 Ų | 51 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 127.5 | 172 | -63.4 | -175.5 | 174.6 | 0 | 0 | 110.5 | S206 Q210 | S206-E351 WeakPolarHBondContact CB-OE2 3.28Å; Q210-E351 PolarHBondContact NE2-OE2 3.47Å |
| 352 | D | 71 | Confident | 79.6 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 129.8 | 170.4 | -74.6 | -26.3 | 0 | 0 | 0 | 109.4 | T354 S357 H360 | D352-T354 PolarHBondContact O-N 3.28Å; D352-S357 WeakPolarHBondContact OD2-CB 3.5Å; D352-S357 PolarHBondContact OD2-OG 3.46Å; D352-H360 IonicContact OD1-CE1 3.18Å; D352-H360 IonicContact OD1-ND1 2.65Å |
| 353 | P | 64.2 | Low | 80.5 | Confident | 123 Ų | 123 | 50.7 Ų | 50.7 | 80% | 0.799 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -69.4 | -21.2 | 179.5 | 26.4 | -33 | 0 | 0 | 0 | 112.6 | ||
| 354 | T | 62.6 | Low | 80.8 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.3 | 116.4 | 173.5 | 56 | 0 | 0 | 0 | 0 | 109.2 | D352 S356 S357 | D352-T354 PolarHBondContact O-N 3.28Å; T354-S356 PolarHBondContact O-N 3.15Å; T354-S357 PolarHBondContact O-N 3.38Å |
| 355 | L | 59.8 | Low | 80.9 | Confident | 138 Ų | 138 | 52.2 Ų | 52.2 | 72% | 0.723 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -9.9 | 177.9 | -100.7 | 77.4 | 0 | 0 | 0 | 115.1 | P204 | P204-L355 HydrophobicContact CG-CD2 4.45Š|
| 356 | S | 60.6 | Low | 81.1 | Confident | 110 Ų | 110 | 50 Ų | 50 | 77% | 0.769 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.5 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | T354 | T354-S356 PolarHBondContact O-N 3.15Š|
| 357 | S | 63.5 | Low | 81 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -117.4 | 124.4 | -176.7 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | K302 D352 T354 G359 | K302-S357 VanDerWaalsContact CE-OG 3.27Å; K302-S357 WeakPolarHBondContact CE-OG 3.32Å; K302-S357 PolarHBondContact NZ-OG 2.94Å; K302-S357 VanDerWaalsContact NZ-OG 3.12Å; D352-S357 WeakPolarHBondContact OD2-CB 3.5Å; D352-S357 PolarHBondContact OD2-OG 3.46Å; T354-S357 PolarHBondContact O-N 3.38Å; S357-G359 PolarHBondContact O-N 3.12Å |
| 358 | P | 67.5 | Low | 81 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | trans | -64.2 | 129.7 | 165.3 | 30.3 | -31.7 | 0 | 0 | 0 | 106.1 | Q300 K302 | Q300-P358 WeakPolarHBondContact O-CB 3.42Å; K302-P358 HydrophobicContact CG-CG 3.96Å | ||
| 359 | G | 79.2 | Confident | 81 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | trans | -54 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D301 W349 V350 S357 | D301-G359 WeakPolarHBondContact CA-O 3.33Å; W349-G359 WeakPolarHBondContact CH2-O 3.17Å; W349-G359 VanDerWaalsContact CZ2-CA 3.47Å; V350-G359 CarbonylContact O-C 3.59Å; V350-G359 VanDerWaalsContact O-CA 3.28Å; V350-G359 WeakPolarHBondContact O-CA 3.37Å; S357-G359 PolarHBondContact O-N 3.12Å | ||
| 360 | H | 85.3 | Confident | 80.9 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155 | -175.2 | 65.7 | -83.8 | 0 | 0 | 0 | 112.8 | V350 D352 | V350-H360 WeakPolarHBondContact CB-O 3.23Å; V350-H360 VanDerWaalsContact CG1-CE1 3.45Å; V350-H360 WeakPolarHBondContact CG1-CE1 3.28Å; V350-H360 PolarHBondContact N-O 2.65Å; V350-H360 PolarHBondContact O-N 3.42Å; D352-H360 IonicContact OD1-CE1 3.18Å; D352-H360 IonicContact OD1-ND1 2.65Å |
| 361 | W | 89.9 | Confident | 80.9 | Confident | 26 Ų | 26 | 70 Ų | 70 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 133.7 | 171.7 | -63.1 | 112.9 | 0 | 0 | 0 | 110.6 | F299 V307 V312 V347 W349 A386 | F299-W361 HydrophobicContact CB-CH2 3.56Å; F299-W361 HydrophobicContact CB-CZ2 3.33Å; F299-W361 HydrophobicContact CD1-CH2 4.23Å; F299-W361 AromaticContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CZ2 4.25Å; F299-W361 WeakPolarHBondContact O-CZ2 3.22Å; V307-W361 HydrophobicContact CG2-CH2 4.49Å; V307-W361 HydrophobicContact CG2-CZ2 3.82Å; V312-W361 HydrophobicContact CG1-CH2 4.28Å; V312-W361 HydrophobicContact CG2-CH2 4.16Å; V347-W361 HydrophobicContact CB-CB 4.18Å; V347-W361 HydrophobicContact CB-CE3 4.31Å; V347-W361 HydrophobicContact CG1-CB 4.49Å; V347-W361 HydrophobicContact CG2-CB 4.16Å; V347-W361 HydrophobicContact CG2-CD2 4Å; V347-W361 HydrophobicContact CG2-CE3 3.66Å; V347-W361 HydrophobicContact CG2-CG 4.24Å; V347-W361 HydrophobicContact CG2-CZ3 4.36Å; W349-W361 HydrophobicContact CB-CE3 4.18Å; W349-W361 HydrophobicContact CB-CH2 4.32Å; W349-W361 HydrophobicContact CB-CZ3 3.72Å; W349-W361 AromaticContact CE3-CD2 3.71Å; W349-W361 HydrophobicContact CE3-CD2 3.71Å; W349-W361 AromaticContact CE3-CE2 3.69Å; W349-W361 AromaticContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CG 4.35Å; W349-W361 AromaticContact CE3-CH2 3.98Å; W349-W361 HydrophobicContact CE3-CH2 3.98Å; W349-W361 AromaticContact CE3-CZ2 3.86Å; W349-W361 HydrophobicContact CE3-CZ2 3.86Å; W349-W361 AromaticContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CZ3-CD2 4.17Å; W349-W361 AromaticContact CZ3-CE2 3.87Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CZ2 4.23Å; W349-W361 AromaticContact CZ3-NE1 3.95Å; W361-A386 HydrophobicContact CE3-CB 4.48Å; W361-A386 HydrophobicContact CH2-CB 3.79Å; W361-A386 HydrophobicContact CZ2-CB 4.47Å; W361-A386 HydrophobicContact CZ3-CB 3.79Å |
| 362 | S | 89.3 | Confident | 81 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.3 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | V347 F348 A364 | V347-S362 CarbonylContact C-O 3.25Å; V347-S362 VanDerWaalsContact CA-O 3.26Å; V347-S362 WeakPolarHBondContact CA-O 3.28Å; V347-S362 WeakPolarHBondContact CB-O 3.47Å; F348-S362 WeakPolarHBondContact CD1-O 3.28Å; F348-S362 PolarHBondContact N-O 2.03Å; F348-S362 PolarHBondContact O-N 2.96Å; S362-A364 WeakPolarHBondContact OG-CB 3.32Å; S362-A364 PolarHBondContact OG-N 2.69Å |
| 363 | S | 90.7 | Very high | 81.9 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -98.6 | 8.2 | 173.2 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | Q345 G365 C366 | Q345-S363 PolarHBondContact NE2-OG 3.47Å; S363-G365 PolarHBondContact O-N 2.61Å; S363-C366 PolarHBondContact O-N 3.47Å | ||
| 364 | A | 89.6 | Confident | 83.3 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 129.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F348 S362 C366 H381 | F348-A364 HydrophobicContact CE1-CB 4.06Å; F348-A364 WeakPolarHBondContact CE1-O 3.46Å; S362-A364 WeakPolarHBondContact OG-CB 3.32Å; S362-A364 PolarHBondContact OG-N 2.69Å; A364-C366 PolarHBondContact O-N 2.86Å; A364-H381 PolarHBondContact O-CE1 3.27Å; A364-H381 VanDerWaalsContact O-CE1 3.23Å |
| 365 | G | 90 | Very high | 84.8 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 8.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S363 C379 N380 | S363-G365 PolarHBondContact O-N 2.61Å; G365-C379 WeakPolarHBondContact O-CA 3.3Å; G365-N380 WeakPolarHBondContact CA-OD1 3.22Å; G365-N380 PolarHBondContact O-N 2.88Å; G365-N380 PolarHBondContact O-OD1 2.9Å |
| 366 | C | 93.8 | Very high | 86.5 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | 174.4 | -71 | 0 | 0 | 0 | 0 | 111.3 | C346 S363 A364 F378 C379 | C346-C366 HydrophobicContact CB-CB 4.46Å; S363-C366 PolarHBondContact O-N 3.47Å; A364-C366 PolarHBondContact O-N 2.86Å; C366-F378 CarbonylContact C-O 3.51Å; C366-F378 VanDerWaalsContact CA-O 3.31Å; C366-F378 WeakPolarHBondContact CA-O 3.39Å; C366-C379 HydrophobicContact CB-CB 4.23Å; C366-C379 WeakPolarHBondContact CB-SG 3.01Å; C366-C379 WeakPolarHBondContact SG-CB 3.49Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.19Å |
| 367 | E | 94.7 | Very high | 88.2 | Confident | 136 Ų | 136 | 57.1 Ų | 57.1 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.6 | 172.7 | -170.8 | 176.4 | -177.4 | 0 | 0 | 110.4 | C377 F378 | E367-C377 WeakPolarHBondContact O-CA 3.27Å; E367-F378 HydrophobicContact CB-CB 4.3Å; E367-F378 PolarHBondContact N-O 3.4Å; E367-F378 PolarHBondContact O-N 3.45Å |
| 368 | T | 94.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.6 | -177.4 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | C346 R370 T375 | C346-T368 VanDerWaalsContact CB-OG1 3.31Å; C346-T368 WeakPolarHBondContact CB-OG1 3.33Å; C346-T368 PolarHBondContact N-OG1 3.41Å; C346-T368 PolarHBondContact SG-OG1 2.81Å; T368-R370 HydrophobicContact CG2-CG 3.85Å; T368-T375 HydrophobicContact CG2-CG2 3.93Å |
| 369 | V | 93.4 | Very high | 91.1 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.7 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | S376 F378 | V369-S376 PolarHBondContact N-O 3.04Å; V369-S376 PolarHBondContact O-N 3.5Å; V369-F378 HydrophobicContact CB-CE2 3.98Å; V369-F378 HydrophobicContact CG2-CD2 3.88Å; V369-F378 HydrophobicContact CG2-CE2 3.5Å |
| 370 | R | 89.6 | Confident | 91.9 | Very high | 126 Ų | 126 | 57.7 Ų | 57.7 | 48% | 0.475 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.4 | -173.2 | -56.1 | 171.6 | -176.1 | 82.4 | 7.2 | 110.6 | L344 T368 | L344-R370 PolarHBondContact O-NE 2.9Å; L344-R370 PolarHBondContact O-NH2 2.76Å; T368-R370 HydrophobicContact CG2-CG 3.85Å |
| 371 | R | 88.4 | Confident | 92.3 | Very high | 165 Ų | 165 | 54.5 Ų | 54.5 | 62% | 0.623 | 29% | 0.285 | S | S | * | . | trans | -131.9 | 170.5 | 166.1 | -59.6 | 176.8 | 171.7 | 177.3 | -7 | 108.2 | T373 Q374 | R371-T373 PolarHBondContact O-N 2.99Å; R371-Q374 CarbonylContact C-O 3.5Å; R371-Q374 VanDerWaalsContact CA-O 3.3Å; R371-Q374 WeakPolarHBondContact CA-O 3.49Å; R371-Q374 HydrophobicContact CB-CB 4.2Å; R371-Q374 VanDerWaalsContact CB-O 3.26Å; R371-Q374 WeakPolarHBondContact CB-O 3.45Å; R371-Q374 PolarHBondContact N-O 2.67Å; R371-Q374 VanDerWaalsContact O-O 3.13Å | ||
| 372 | E | 84.7 | Confident | 92.4 | Very high | 157 Ų | 157 | 54 Ų | 54 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.4 | -39.2 | -173.1 | -63.5 | -170.8 | 158.7 | 0 | 0 | 113.6 | H335 L337 | H335-E372 PolarHBondContact CE1-O 3.41Å; L337-E372 HydrophobicContact CD1-CB 3.94Å |
| 373 | T | 89.2 | Confident | 92.6 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -121.6 | 11.6 | -177.8 | 56 | 0 | 0 | 0 | 0 | 112.8 | H335 R371 | H335-T373 PolarHBondContact N-O 3.4Å; H335-T373 CarbonylContact O-C 3.58Å; H335-T373 WeakPolarHBondContact O-CA 3.26Å; H335-T373 VanDerWaalsContact O-O 3.11Å; R371-T373 PolarHBondContact O-N 2.99Å |
| 374 | Q | 92.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 135.5 | -174.8 | 178.2 | 179.1 | 71.3 | 0 | 0 | 110.8 | T332 F333 H335 R371 | T332-Q374 HydrophobicContact CG2-CG 3.5Å; T332-Q374 VanDerWaalsContact CG2-NE2 3.26Å; F333-Q374 CarbonylContact O-C 3.48Å; F333-Q374 WeakPolarHBondContact O-CA 3.43Å; H335-Q374 PolarHBondContact NE2-N 2.88Å; R371-Q374 CarbonylContact C-O 3.5Å; R371-Q374 VanDerWaalsContact CA-O 3.3Å; R371-Q374 WeakPolarHBondContact CA-O 3.49Å; R371-Q374 HydrophobicContact CB-CB 4.2Å; R371-Q374 VanDerWaalsContact CB-O 3.26Å; R371-Q374 WeakPolarHBondContact CB-O 3.45Å; R371-Q374 PolarHBondContact N-O 2.67Å; R371-Q374 VanDerWaalsContact O-O 3.13Å |
| 375 | T | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.8 | 172.2 | -67.2 | 0 | 0 | 0 | 0 | 110 | T332 F333 H335 L344 T368 V387 | T332-T375 WeakPolarHBondContact CA-O 3.35Å; F333-T375 PolarHBondContact N-O 3.46Å; F333-T375 PolarHBondContact O-N 3.49Å; H335-T375 PolarHBondContact NE2-OG1 2.88Å; L344-T375 HydrophobicContact CB-CG2 4.35Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.13Å; T368-T375 HydrophobicContact CG2-CG2 3.93Å; T375-V387 HydrophobicContact CG2-CG1 4.18Å; T375-V387 HydrophobicContact CG2-CG2 4.35Å |
| 376 | S | 96.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.8 | 178.6 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | L331 T332 V369 | L331-S376 CarbonylContact O-C 3.55Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.45Å; T332-S376 WeakPolarHBondContact CG2-OG 3.49Å; T332-S376 PolarHBondContact OG1-OG 3.47Å; T332-S376 VanDerWaalsContact OG1-OG 3.05Å; V369-S376 PolarHBondContact N-O 3.04Å; V369-S376 PolarHBondContact O-N 3.5Å |
| 377 | C | 96.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.3 | 178.6 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | V330 L331 C346 E367 | V330-C377 WeakPolarHBondContact CA-O 3.22Å; L331-C377 HydrophobicContact CB-CB 4.12Å; L331-C377 HydrophobicContact CD1-CB 3.93Å; L331-C377 PolarHBondContact N-O 2.9Å; L331-C377 PolarHBondContact O-N 3.37Å; C346-C377 HydrophobicContact CB-CB 3.51Å; C346-C377 WeakPolarHBondContact CB-SG 3.3Å; C346-C377 WeakPolarHBondContact SG-CA 3.24Å; C346-C377 WeakPolarHBondContact SG-CB 3.46Å; C346-C377 CovalentContact SG-SG 2.01Å; C346-C377 PolarHBondContact SG-SG 3.48Å; E367-C377 WeakPolarHBondContact O-CA 3.27Å |
| 378 | F | 96.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 29% | 0.285 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 99.9 | 176 | -64.2 | -95.9 | 0 | 0 | 0 | 108.5 | P328 V329 V330 C366 E367 V369 | P328-F378 HydrophobicContact CB-CB 4.07Å; P328-F378 HydrophobicContact CG-CB 4.3Å; P328-F378 HydrophobicContact CG-CD1 4.01Å; V329-F378 WeakPolarHBondContact O-CA 3.28Å; V330-F378 HydrophobicContact CB-CD1 4.46Å; V330-F378 HydrophobicContact CB-CE1 4.34Å; V330-F378 HydrophobicContact CG1-CD1 4.19Å; V330-F378 HydrophobicContact CG1-CE1 3.78Å; V330-F378 HydrophobicContact CG1-CZ 3.97Å; V330-F378 HydrophobicContact CG2-CD1 3.66Å; V330-F378 HydrophobicContact CG2-CE1 3.61Å; C366-F378 CarbonylContact C-O 3.51Å; C366-F378 VanDerWaalsContact CA-O 3.31Å; C366-F378 WeakPolarHBondContact CA-O 3.39Å; E367-F378 HydrophobicContact CB-CB 4.3Å; E367-F378 PolarHBondContact N-O 3.4Å; E367-F378 PolarHBondContact O-N 3.45Å; V369-F378 HydrophobicContact CB-CE2 3.98Å; V369-F378 HydrophobicContact CG2-CD2 3.88Å; V369-F378 HydrophobicContact CG2-CE2 3.5Å |
| 379 | C | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.7 | -174 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | P328 V329 G365 C366 F385 | P328-C379 CarbonylContact C-O 3.5Å; P328-C379 WeakPolarHBondContact CA-O 3.44Å; V329-C379 PolarHBondContact N-O 3.03Å; V329-C379 PolarHBondContact O-N 3.4Å; G365-C379 WeakPolarHBondContact O-CA 3.3Å; C366-C379 HydrophobicContact CB-CB 4.23Å; C366-C379 WeakPolarHBondContact CB-SG 3.01Å; C366-C379 WeakPolarHBondContact SG-CB 3.49Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.19Å; C379-F385 HydrophobicContact CB-CD1 4.43Å; C379-F385 HydrophobicContact CB-CE1 3.74Å; C379-F385 HydrophobicContact CB-CZ 4.07Å; C379-F385 VanDerWaalsContact SG-CE1 3.58Å |
| 380 | N | 94.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -94.5 | 13.5 | -177.5 | 72.9 | -8.3 | 0 | 0 | 0 | 114.4 | A323 N324 L325 G365 | A323-N380 CarbonylContact C-O 3.51Å; N324-N380 PolarHBondContact N-O 2.87Å; L325-N380 WeakPolarHBondContact CB-O 3.42Å; L325-N380 WeakPolarHBondContact CG-O 3.28Å; L325-N380 PolarHBondContact N-O 2.86Å; G365-N380 WeakPolarHBondContact CA-OD1 3.22Å; G365-N380 PolarHBondContact O-N 2.88Å; G365-N380 PolarHBondContact O-OD1 2.9Å |
| 381 | H | 93.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -147.6 | 174.4 | -176.8 | 57.9 | -85.8 | 0 | 0 | 0 | 110.3 | V322 A323 F348 A364 T383 F385 | V322-H381 VanDerWaalsContact O-CA 3.29Å; V322-H381 WeakPolarHBondContact O-CA 3.44Å; V322-H381 VanDerWaalsContact O-CB 3.29Å; V322-H381 WeakPolarHBondContact O-CB 3.18Å; A323-H381 HydrophobicContact CB-CB 4.21Å; F348-H381 AromaticContact CD1-CE1 3.71Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.12Å; F348-H381 AromaticContact CD2-NE2 3.63Å; F348-H381 AromaticContact CE1-CE1 3.95Å; F348-H381 AromaticContact CE1-NE2 3.87Å; F348-H381 AromaticContact CG-NE2 3.27Å; F348-H381 VanDerWaalsContact CG-NE2 3.27Å; F348-H381 WeakPolarHBondContact CG-NE2 3.19Å; A364-H381 PolarHBondContact O-CE1 3.27Å; A364-H381 VanDerWaalsContact O-CE1 3.23Å; H381-T383 PolarHBondContact CD2-OG1 2.89Å; H381-T383 VanDerWaalsContact CD2-OG1 3.28Å; H381-T383 PolarHBondContact NE2-OG1 2.98Å; H381-F385 AromaticContact CD2-CE1 3.93Å; H381-F385 AromaticContact CD2-CZ 3.94Å; H381-F385 AromaticContact NE2-CE1 3.57Å; H381-F385 VanDerWaalsContact O-CZ 3.27Å; H381-F385 WeakPolarHBondContact O-CZ 3.46Å |
| 382 | L | 92.8 | Very high | 88.6 | Confident | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | trans | -121.8 | 120.6 | 177.4 | -66.2 | -174.2 | 0 | 0 | 0 | 110.6 | L269 L273 I315 V317 V322 V329 | L269-L382 HydrophobicContact CD2-CD2 3.99Å; L273-L382 HydrophobicContact CD1-CD1 3.69Å; L273-L382 HydrophobicContact CD1-CG 4.47Å; L273-L382 HydrophobicContact CD2-CD1 3.88Å; L273-L382 HydrophobicContact CG-CD1 4.42Å; I315-L382 HydrophobicContact CB-CD2 4.11Å; I315-L382 HydrophobicContact CG2-CD1 4.3Å; I315-L382 HydrophobicContact CG2-CD2 3.7Å; I315-L382 HydrophobicContact CG2-CG 4.48Å; I315-L382 CarbonylContact O-C 3.56Å; I315-L382 WeakPolarHBondContact O-CB 3.27Å; V317-L382 HydrophobicContact CG2-CD1 3.71Å; V322-L382 HydrophobicContact CB-CB 4.14Å; V322-L382 HydrophobicContact CB-CD1 3.98Å; V322-L382 HydrophobicContact CB-CG 4.01Å; V322-L382 HydrophobicContact CG1-CD1 4.24Å; V322-L382 HydrophobicContact CG1-CG 4.16Å; V322-L382 HydrophobicContact CG2-CD1 4.04Å; V322-L382 PolarHBondContact O-N 3.33Å; V322-L382 VanDerWaalsContact O-N 3.08Å; V329-L382 HydrophobicContact CG2-CD2 3.7Å | ||
| 383 | T | 92.8 | Very high | 86.9 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -160 | -156.7 | -177.8 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | G314 I315 F348 H381 F385 | G314-T383 WeakPolarHBondContact CA-O 3.08Å; I315-T383 PolarHBondContact N-O 3.1Å; I315-T383 PolarHBondContact O-N 2.85Å; F348-T383 WeakPolarHBondContact CB-OG1 3.01Å; F348-T383 HydrophobicContact CD2-CG2 4.31Å; H381-T383 PolarHBondContact CD2-OG1 2.89Å; H381-T383 VanDerWaalsContact CD2-OG1 3.28Å; H381-T383 PolarHBondContact NE2-OG1 2.98Å; T383-F385 WeakPolarHBondContact O-CD2 3.19Å; T383-F385 WeakPolarHBondContact O-CE2 3.33Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.11Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.15Å |
| 384 | Y | 94.4 | Very high | 85 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.9 | 167.7 | -61.8 | -85.8 | 0 | 0 | 0 | 110.8 | L209 E213 F293 F299 L313 F348 W349 | L209-Y384 HydrophobicContact CD1-CD2 4.49Å; L209-Y384 HydrophobicContact CD1-CE2 4.15Å; L209-Y384 HydrophobicContact CD2-CE1 4.05Å; L209-Y384 HydrophobicContact CD2-CE2 4.5Å; E213-Y384 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y384 PolarHBondContact OE1-OH 3.18Å; F293-Y384 HydrophobicContact CE2-CD1 4.22Å; F293-Y384 AromaticContact CE2-CE1 3.86Å; F293-Y384 HydrophobicContact CE2-CE1 3.86Å; F299-Y384 HydrophobicContact CE1-CD1 4.06Å; F299-Y384 HydrophobicContact CE1-CD2 4.42Å; F299-Y384 AromaticContact CE1-CG 3.88Å; F299-Y384 HydrophobicContact CE1-CG 3.88Å; F299-Y384 AromaticContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CE1 4.33Å; F299-Y384 HydrophobicContact CZ-CG 4.1Å; L313-Y384 CarbonylContact O-C 3.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.4Å; F348-Y384 CarbonylContact C-O 2.94Å; F348-Y384 WeakPolarHBondContact CA-O 3.42Å; W349-Y384 PolarHBondContact N-O 3.14Å |
| 385 | F | 96.2 | Very high | 83.2 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148.6 | -177.9 | -59.3 | -72.5 | 0 | 0 | 0 | 111.7 | V312 L313 I315 L331 V347 F348 C379 H381 T383 | V312-F385 CarbonylContact C-O 3.6Å; V312-F385 WeakPolarHBondContact CA-O 3.37Å; L313-F385 PolarHBondContact N-O 2.99Å; L313-F385 PolarHBondContact O-N 3.2Å; I315-F385 HydrophobicContact CD1-CD2 4.33Å; I315-F385 HydrophobicContact CD1-CE2 4.36Å; L331-F385 HydrophobicContact CD1-CB 4.16Å; L331-F385 HydrophobicContact CD1-CD1 4.26Å; L331-F385 HydrophobicContact CD1-CD2 3.92Å; L331-F385 HydrophobicContact CD1-CE2 4.43Å; L331-F385 HydrophobicContact CD1-CG 3.83Å; L331-F385 HydrophobicContact CD2-CB 4.38Å; L331-F385 HydrophobicContact CD2-CD2 4.08Å; L331-F385 HydrophobicContact CD2-CG 4.44Å; V347-F385 WeakPolarHBondContact O-CA 3.39Å; F348-F385 HydrophobicContact CB-CD1 3.74Å; F348-F385 HydrophobicContact CB-CE1 3.81Å; C379-F385 HydrophobicContact CB-CD1 4.43Å; C379-F385 HydrophobicContact CB-CE1 3.74Å; C379-F385 HydrophobicContact CB-CZ 4.07Å; C379-F385 VanDerWaalsContact SG-CE1 3.58Å; H381-F385 AromaticContact CD2-CE1 3.93Å; H381-F385 AromaticContact CD2-CZ 3.94Å; H381-F385 AromaticContact NE2-CE1 3.57Å; H381-F385 VanDerWaalsContact O-CZ 3.27Å; H381-F385 WeakPolarHBondContact O-CZ 3.46Å; T383-F385 WeakPolarHBondContact O-CD2 3.19Å; T383-F385 WeakPolarHBondContact O-CE2 3.33Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.11Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.15Å |
| 386 | A | 94.8 | Very high | 81.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | V307 V312 V347 W361 | V307-A386 HydrophobicContact CG1-CB 3.77Å; V307-A386 HydrophobicContact CG2-CB 4.14Å; V312-A386 HydrophobicContact CG2-CB 4.26Å; V347-A386 HydrophobicContact CG2-CB 4.15Å; V347-A386 WeakPolarHBondContact CG2-O 3.42Å; V347-A386 PolarHBondContact N-O 3.15Å; V347-A386 PolarHBondContact O-N 2.98Å; V347-A386 VanDerWaalsContact O-O 3.12Å; W361-A386 HydrophobicContact CE3-CB 4.48Å; W361-A386 HydrophobicContact CH2-CB 3.79Å; W361-A386 HydrophobicContact CZ2-CB 4.47Å; W361-A386 HydrophobicContact CZ3-CB 3.79Å |
| 387 | V | 93.9 | Very high | 79.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114 | 167.7 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | L308 F333 L344 Q345 T375 | L308-V387 HydrophobicContact CB-CB 4.07Å; L308-V387 HydrophobicContact CB-CG1 4.24Å; L308-V387 VanDerWaalsContact CB-O 3.27Å; L308-V387 WeakPolarHBondContact CB-O 3.22Å; L308-V387 HydrophobicContact CD2-CB 4.07Å; L308-V387 HydrophobicContact CD2-CG1 3.9Å; L308-V387 PolarHBondContact N-O 3.25Å; F333-V387 HydrophobicContact CD2-CG2 3.43Å; F333-V387 VanDerWaalsContact CD2-CG2 3.43Å; F333-V387 HydrophobicContact CE2-CG2 3.67Å; F333-V387 HydrophobicContact CG-CG2 3.97Å; F333-V387 HydrophobicContact CZ-CG2 4.36Å; L344-V387 HydrophobicContact CB-CG1 3.78Å; L344-V387 HydrophobicContact CD2-CG1 4.09Å; L344-V387 HydrophobicContact CG-CG1 4.35Å; Q345-V387 CarbonylContact O-C 3.58Å; T375-V387 HydrophobicContact CG2-CG1 4.18Å; T375-V387 HydrophobicContact CG2-CG2 4.35Å |
| 388 | L | 89.9 | Confident | 78.4 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 135.8 | 178.3 | -159.1 | 73.7 | 0 | 0 | 0 | 110.8 | S305 Q306 V307 L344 Q345 V347 V390 | S305-L388 VanDerWaalsContact CB-CD1 3.44Å; Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.43Å; V307-L388 HydrophobicContact CG2-CD1 4.18Å; L344-L388 CarbonylContact C-O 3.59Å; L344-L388 WeakPolarHBondContact CA-O 3.47Å; Q345-L388 PolarHBondContact N-O 3.35Å; Q345-L388 PolarHBondContact O-N 3.29Å; V347-L388 HydrophobicContact CG1-CB 4.23Å; V347-L388 HydrophobicContact CG2-CB 3.99Å; L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 4.4Å; L388-V390 PolarHBondContact O-N 3.03Å |
| 389 | M | 81.9 | Confident | 77.5 | Confident | 23 Ų | 23 | 37 Ų | 37 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 105.8 | 165.8 | -67.1 | -171.5 | 179.9 | 0 | 0 | 108.8 | E261 Q306 L308 V342 L344 | E261-M389 VanDerWaalsContact OE2-CE 3.24Å; E261-M389 WeakPolarHBondContact OE2-CE 3.29Å; Q306-M389 HydrophobicContact CB-CB 4.37Å; Q306-M389 HydrophobicContact CG-CB 4.44Å; Q306-M389 HydrophobicContact CG-SD 4.08Å; Q306-M389 PolarHBondContact O-N 2.94Å; L308-M389 HydrophobicContact CB-CE 4.4Å; L308-M389 HydrophobicContact CB-CG 4.35Å; L308-M389 HydrophobicContact CD1-CE 3.33Å; L308-M389 HydrophobicContact CG-CE 4.44Å; V342-M389 HydrophobicContact CG1-CB 3.66Å; V342-M389 HydrophobicContact CG1-CG 3.92Å; V342-M389 HydrophobicContact CG1-SD 4.46Å; L344-M389 HydrophobicContact CD2-CG 4.14Å |
| 390 | V | 76.1 | Confident | 76.2 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 30% | 0.297 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122 | 172.1 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | V342 T343 Q345 L388 S392 | V342-V390 CarbonylContact C-O 3.23Å; T343-V390 PolarHBondContact N-O 3.41Å; T343-V390 WeakPolarHBondContact O-CA 3.37Å; T343-V390 WeakPolarHBondContact O-CB 3.43Å; T343-V390 PolarHBondContact O-N 3.18Å; T343-V390 VanDerWaalsContact O-O 3.1Å; T343-V390 PolarHBondContact OG1-O 3.38Å; Q345-V390 HydrophobicContact CB-CG2 4.15Å; L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 4.4Å; L388-V390 PolarHBondContact O-N 3.03Å; V390-S392 PolarHBondContact O-N 3.02Å; V390-S392 VanDerWaalsContact O-N 3.11Å |
| 391 | S | 61.1 | Low | 75.4 | Confident | 69 Ų | 69 | 42 Ų | 42 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 115.2 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | N341 V393 | N341-S391 CarbonylContact O-C 3.54Å; N341-S391 WeakPolarHBondContact O-CA 3.38Å; S391-V393 VanDerWaalsContact C-N 3.32Å |
| 392 | S | 53.4 | Low | 74.9 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -21.1 | 176 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | K340 N341 V342 V390 | K340-S392 PolarHBondContact O-OG 3.33Å; N341-S392 VanDerWaalsContact CA-OG 3.23Å; N341-S392 WeakPolarHBondContact CA-OG 3.42Å; N341-S392 PolarHBondContact O-N 2.82Å; N341-S392 PolarHBondContact O-OG 3.4Å; N341-S392 VanDerWaalsContact O-OG 3.11Å; V342-S392 PolarHBondContact N-OG 3.37Å; V390-S392 PolarHBondContact O-N 3.02Å; V390-S392 VanDerWaalsContact O-N 3.11Å |
| 393 | V | 48.3 | Very low | 74.6 | Confident | 63 Ų | 63 | 48 Ų | 48 | 38% | 0.382 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 45.1 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | N341 S391 V395 | N341-V393 HydrophobicContact CB-CB 3.78Å; N341-V393 HydrophobicContact CB-CG2 3.71Å; N341-V393 PolarHBondContact O-N 3.4Å; S391-V393 VanDerWaalsContact C-N 3.32Å; V393-V395 VanDerWaalsContact C-N 3.34Å; V393-V395 PolarHBondContact O-N 2.86Å |
| 394 | E | 49.1 | Very low | 74.1 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66.1 | 111.2 | 139.2 | -94.8 | -162.9 | 121 | 0 | 0 | 104.8 | D396 K400 | E394-D396 PolarHBondContact O-N 3.36Å; E394-D396 VanDerWaalsContact O-N 3.08Å; E394-K400 IonicContact OE1-NZ 3.37Å; E394-K400 PolarHBondContact OE1-NZ 3.48Å; E394-K400 IonicContact OE2-NZ 2.65Å; E394-K400 PolarHBondContact OE2-NZ 3.31Å |
| 395 | V | 54.5 | Low | 73.8 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | trans | -7.3 | 108 | 167.7 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V393 A397 H399 K400 L403 L637 L640 | V393-V395 VanDerWaalsContact C-N 3.34Å; V393-V395 PolarHBondContact O-N 2.86Å; V395-A397 PolarHBondContact O-N 3.48Å; V395-H399 HydrophobicContact CG1-CB 3.35Å; V395-K400 HydrophobicContact CB-CG 3.97Å; V395-K400 HydrophobicContact CG1-CG 3.97Å; V395-K400 WeakPolarHBondContact O-CG 3.37Å; V395-L403 HydrophobicContact CG1-CD1 3.97Å; V395-L637 HydrophobicContact CG1-CD1 3.96Å; V395-L640 HydrophobicContact CG2-CD1 3.54Å | ||
| 396 | D | 57.7 | Low | 73.4 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | trans | -35.2 | 130.5 | -174.4 | -128.5 | -15.2 | 0 | 0 | 0 | 109.1 | E394 V398 H399 K400 | E394-D396 PolarHBondContact O-N 3.36Å; E394-D396 VanDerWaalsContact O-N 3.08Å; D396-V398 CarbonylContact O-C 3.56Å; D396-V398 PolarHBondContact O-N 3.35Å; D396-H399 VanDerWaalsContact CB-ND1 3.33Å; D396-H399 WeakPolarHBondContact CB-ND1 3.3Å; D396-H399 WeakPolarHBondContact O-CA 3.45Å; D396-H399 WeakPolarHBondContact O-CB 3.44Å; D396-H399 PolarHBondContact O-N 2.88Å; D396-K400 PolarHBondContact O-N 2.89Å; D396-K400 VanDerWaalsContact O-N 3.14Å | ||
| 397 | A | 59.7 | Low | 73.2 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.2 | -27.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V395 K400 H401 V549 H550 | V395-A397 PolarHBondContact O-N 3.48Å; A397-K400 PolarHBondContact O-N 2.92Å; A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 3.35Å; A397-V549 HydrophobicContact CB-CG1 3.93Å; A397-H550 HydrophobicContact CB-CB 4.46Å; A397-H550 WeakPolarHBondContact CB-CE1 3.35Å; A397-H550 WeakPolarHBondContact CB-ND1 3.29Å |
| 398 | V | 68.8 | Low | 73 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.7 | -52.3 | 168.1 | 179 | 0 | 0 | 0 | 0 | 112.4 | D396 H401 Y402 | D396-V398 CarbonylContact O-C 3.56Å; D396-V398 PolarHBondContact O-N 3.35Å; V398-H401 WeakPolarHBondContact O-CB 3.5Å; V398-H401 PolarHBondContact O-N 2.97Å; V398-Y402 HydrophobicContact CG1-CD2 3.72Å; V398-Y402 HydrophobicContact CG1-CE2 3.36Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 2.86Å |
| 399 | H | 77 | Confident | 73.1 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 25% | 0.25 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 177 | -63.5 | 86 | 0 | 0 | 0 | 112 | V395 D396 H401 Y402 L403 L637 Y641 | V395-H399 HydrophobicContact CG1-CB 3.35Å; D396-H399 VanDerWaalsContact CB-ND1 3.33Å; D396-H399 WeakPolarHBondContact CB-ND1 3.3Å; D396-H399 WeakPolarHBondContact O-CA 3.45Å; D396-H399 WeakPolarHBondContact O-CB 3.44Å; D396-H399 PolarHBondContact O-N 2.88Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.35Å; H399-Y402 PolarHBondContact O-N 3.2Å; H399-L403 VanDerWaalsContact O-CB 3.3Å; H399-L403 WeakPolarHBondContact O-CB 3.42Å; H399-L403 WeakPolarHBondContact O-CD1 3.13Å; H399-L403 VanDerWaalsContact O-CG 3.22Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.48Å; H399-L637 HydrophobicContact CB-CD1 3.94Å; H399-Y641 AromaticContact CD2-CE2 3.79Å; H399-Y641 PolarHBondContact CD2-OH 3.09Å |
| 400 | K | 70.2 | Confident | 73.6 | Confident | 38 Ų | 38 | 62 Ų | 62 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 170.9 | -77.2 | 178.9 | -174.5 | -178.2 | 0 | 111 | E394 V395 D396 A397 L403 S404 A548 V549 | E394-K400 IonicContact OE1-NZ 3.37Å; E394-K400 PolarHBondContact OE1-NZ 3.48Å; E394-K400 IonicContact OE2-NZ 2.65Å; E394-K400 PolarHBondContact OE2-NZ 3.31Å; V395-K400 HydrophobicContact CB-CG 3.97Å; V395-K400 HydrophobicContact CG1-CG 3.97Å; V395-K400 WeakPolarHBondContact O-CG 3.37Å; D396-K400 PolarHBondContact O-N 2.89Å; D396-K400 VanDerWaalsContact O-N 3.14Å; A397-K400 PolarHBondContact O-N 2.92Å; K400-L403 PolarHBondContact O-N 3.05Å; K400-S404 WeakPolarHBondContact O-CB 3.36Å; K400-S404 PolarHBondContact O-N 2.98Å; K400-A548 PolarHBondContact NZ-O 3.23Å; K400-V549 HydrophobicContact CB-CG1 4.43Å; K400-V549 HydrophobicContact CB-CG2 4.02Å; K400-V549 HydrophobicContact CD-CG2 3.81Å |
| 401 | H | 76.8 | Confident | 74.4 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.6 | -177.1 | 64.9 | 0 | 0 | 0 | 111.8 | A397 V398 H399 L403 S404 L405 | A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 3.35Å; V398-H401 WeakPolarHBondContact O-CB 3.5Å; V398-H401 PolarHBondContact O-N 2.97Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.35Å; H401-L403 PolarHBondContact O-N 3.42Å; H401-S404 PolarHBondContact O-N 2.87Å; H401-L405 WeakPolarHBondContact O-CB 3.43Å; H401-L405 PolarHBondContact O-N 2.61Å |
| 402 | Y | 84.2 | Confident | 76 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 52% | 0.518 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.9 | -75.8 | -58.8 | 0 | 0 | 0 | 113.2 | V398 H399 L405 L406 | V398-Y402 HydrophobicContact CG1-CD2 3.72Å; V398-Y402 HydrophobicContact CG1-CE2 3.36Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 2.86Å; H399-Y402 PolarHBondContact O-N 3.2Å; Y402-L405 PolarHBondContact O-N 3.44Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.27Å |
| 403 | L | 85.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.5 | -75.6 | 164 | 0 | 0 | 0 | 111.4 | V395 H399 K400 H401 L406 S407 L640 Y641 | V395-L403 HydrophobicContact CG1-CD1 3.97Å; H399-L403 VanDerWaalsContact O-CB 3.3Å; H399-L403 WeakPolarHBondContact O-CB 3.42Å; H399-L403 WeakPolarHBondContact O-CD1 3.13Å; H399-L403 VanDerWaalsContact O-CG 3.22Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.48Å; K400-L403 PolarHBondContact O-N 3.05Å; H401-L403 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-S407 WeakPolarHBondContact O-CB 3.48Å; L403-S407 PolarHBondContact O-N 3.07Å; L403-S407 PolarHBondContact O-OG 2.97Å; L403-S407 VanDerWaalsContact O-OG 3.05Å; L403-L640 HydrophobicContact CD1-CB 4.42Å; L403-Y641 HydrophobicContact CD2-CD1 3.76Å; L403-Y641 HydrophobicContact CD2-CD2 4.27Å; L403-Y641 HydrophobicContact CD2-CE1 3.93Å; L403-Y641 HydrophobicContact CD2-CE2 4.4Å; L403-Y641 HydrophobicContact CD2-CG 3.94Å; L403-Y641 HydrophobicContact CG-CD1 4.5Å; L403-Y641 HydrophobicContact CG-CE1 4.19Å; L403-Y641 HydrophobicContact CG-CE2 4.41Å |
| 404 | S | 83.5 | Confident | 80.1 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | K400 H401 L406 S407 Y408 | K400-S404 WeakPolarHBondContact O-CB 3.36Å; K400-S404 PolarHBondContact O-N 2.98Å; H401-S404 PolarHBondContact O-N 2.87Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.23Å; S404-S407 PolarHBondContact O-N 3.07Å; S404-Y408 WeakPolarHBondContact O-CB 3.22Å; S404-Y408 PolarHBondContact O-N 2.97Å |
| 405 | L | 86.3 | Confident | 82.2 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 175.7 | -177.5 | 66.2 | 0 | 0 | 0 | 111.6 | H401 Y402 Y408 V409 | H401-L405 WeakPolarHBondContact O-CB 3.43Å; H401-L405 PolarHBondContact O-N 2.61Å; Y402-L405 PolarHBondContact O-N 3.44Å; L405-Y408 PolarHBondContact O-N 3.17Å; L405-V409 HydrophobicContact CD1-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.28Å; L405-V409 PolarHBondContact O-N 3.46Å |
| 406 | L | 89.5 | Confident | 84.1 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.9 | -178.3 | 61.8 | 0 | 0 | 0 | 112 | Y402 L403 S404 G410 Y641 I645 F649 | Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.27Å; L403-L406 PolarHBondContact O-N 3.41Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.23Å; L406-G410 PolarHBondContact O-N 3.19Å; L406-Y641 HydrophobicContact CD2-CD1 4.17Å; L406-I645 HydrophobicContact CD1-CG1 4.48Å; L406-I645 HydrophobicContact CD2-CD1 4.37Å; L406-I645 HydrophobicContact CD2-CG1 3.6Å; L406-I645 HydrophobicContact CG-CG1 4.38Å; L406-F649 HydrophobicContact CD1-CE2 4.32Å |
| 407 | S | 89.6 | Confident | 85.7 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | L403 S404 G410 C411 S644 | L403-S407 WeakPolarHBondContact O-CB 3.48Å; L403-S407 PolarHBondContact O-N 3.07Å; L403-S407 PolarHBondContact O-OG 2.97Å; L403-S407 VanDerWaalsContact O-OG 3.05Å; S404-S407 PolarHBondContact O-N 3.07Å; S407-G410 PolarHBondContact O-N 3.39Å; S407-C411 VanDerWaalsContact O-CB 3.28Å; S407-C411 WeakPolarHBondContact O-CB 3.47Å; S407-C411 PolarHBondContact O-N 3.26Å; S407-C411 PolarHBondContact O-SG 3.17Å; S407-S644 PolarHBondContact OG-OG 3.34Å |
| 408 | Y | 90 | Very high | 87.2 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -52.7 | 177.2 | -174.2 | -90.4 | 0 | 0 | 0 | 111.7 | S404 L405 G410 C411 V412 L461 | S404-Y408 WeakPolarHBondContact O-CB 3.22Å; S404-Y408 PolarHBondContact O-N 2.97Å; L405-Y408 PolarHBondContact O-N 3.17Å; Y408-G410 PolarHBondContact O-N 3.28Å; Y408-C411 PolarHBondContact O-N 3.02Å; Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CE1-CG2 4.2Å; Y408-V412 WeakPolarHBondContact O-CG2 3.23Å; Y408-V412 PolarHBondContact O-N 3.29Å; Y408-L461 HydrophobicContact CD2-CD2 3.56Å; Y408-L461 HydrophobicContact CE2-CD2 3.57Å; Y408-L461 HydrophobicContact CG-CD2 4.12Å |
| 409 | V | 92 | Very high | 88.3 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -44 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L405 V412 V413 | L405-V409 HydrophobicContact CD1-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.28Å; L405-V409 PolarHBondContact O-N 3.46Å; V409-V412 PolarHBondContact O-N 2.86Å; V409-V413 WeakPolarHBondContact O-CG2 3.39Å; V409-V413 PolarHBondContact O-N 3.26Å; V409-V413 VanDerWaalsContact O-N 3.07Å |
| 410 | G | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L406 S407 Y408 V412 V413 S414 S648 | L406-G410 PolarHBondContact O-N 3.19Å; S407-G410 PolarHBondContact O-N 3.39Å; Y408-G410 PolarHBondContact O-N 3.28Å; G410-V412 VanDerWaalsContact C-N 3.34Å; G410-V412 PolarHBondContact O-N 2.93Å; G410-V413 PolarHBondContact O-N 3.5Å; G410-S414 WeakPolarHBondContact O-CB 3.38Å; G410-S414 PolarHBondContact O-N 3.41Å; G410-S648 CarbonylContact C-O 3.59Å |
| 411 | C | 93.2 | Very high | 89.6 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 178 | -75.9 | 0 | 0 | 0 | 0 | 112.5 | S407 Y408 S414 A415 D457 F460 L461 S648 | S407-C411 VanDerWaalsContact O-CB 3.28Å; S407-C411 WeakPolarHBondContact O-CB 3.47Å; S407-C411 PolarHBondContact O-N 3.26Å; S407-C411 PolarHBondContact O-SG 3.17Å; Y408-C411 PolarHBondContact O-N 3.02Å; C411-S414 PolarHBondContact O-N 3.27Å; C411-A415 VanDerWaalsContact O-CB 3.24Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.83Å; C411-D457 HydrophobicContact CB-CB 4.26Å; C411-D457 PolarHBondContact SG-OD1 2.86Å; C411-D457 VanDerWaalsContact SG-OD1 3.33Å; C411-F460 HydrophobicContact CB-CD1 4.36Å; C411-L461 HydrophobicContact CB-CD1 4.4Å; C411-L461 HydrophobicContact CB-CD2 4.11Å; C411-L461 HydrophobicContact CB-CG 4.14Å; C411-S648 PolarHBondContact N-O 3.41Å |
| 412 | V | 94.4 | Very high | 90.1 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | Y408 V409 G410 A415 L416 L461 | Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CE1-CG2 4.2Å; Y408-V412 WeakPolarHBondContact O-CG2 3.23Å; Y408-V412 PolarHBondContact O-N 3.29Å; V409-V412 PolarHBondContact O-N 2.86Å; G410-V412 VanDerWaalsContact C-N 3.34Å; G410-V412 PolarHBondContact O-N 2.93Å; V412-A415 PolarHBondContact O-N 2.93Å; V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.35Å; V412-L461 HydrophobicContact CG2-CD1 3.86Å; V412-L461 HydrophobicContact CG2-CD2 3.75Å; V412-L461 HydrophobicContact CG2-CG 4.49Å |
| 413 | V | 94.4 | Very high | 90.2 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V409 G410 L416 A417 F649 F652 | V409-V413 WeakPolarHBondContact O-CG2 3.39Å; V409-V413 PolarHBondContact O-N 3.26Å; V409-V413 VanDerWaalsContact O-N 3.07Å; G410-V413 PolarHBondContact O-N 3.5Å; V413-L416 PolarHBondContact O-N 3.14Å; V413-A417 WeakPolarHBondContact O-CB 3.27Å; V413-A417 PolarHBondContact O-N 3.29Å; V413-F649 HydrophobicContact CB-CE1 4.11Å; V413-F649 HydrophobicContact CG1-CD1 4.24Å; V413-F649 HydrophobicContact CG1-CE1 4.04Å; V413-F649 HydrophobicContact CG2-CE1 4.41Å; V413-F652 HydrophobicContact CG1-CB 4.36Å; V413-F652 HydrophobicContact CG1-CD2 4.08Å; V413-F652 HydrophobicContact CG1-CG 4.22Å |
| 414 | S | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | G410 C411 L416 A417 C418 D457 S648 G651 | G410-S414 WeakPolarHBondContact O-CB 3.38Å; G410-S414 PolarHBondContact O-N 3.41Å; C411-S414 PolarHBondContact O-N 3.27Å; S414-L416 PolarHBondContact O-N 3.32Å; S414-A417 PolarHBondContact O-N 3.11Å; S414-C418 WeakPolarHBondContact O-CB 3.38Å; S414-C418 PolarHBondContact O-N 3.17Å; S414-C418 PolarHBondContact O-SG 3.37Å; S414-D457 WeakPolarHBondContact CB-OD2 3.43Å; S414-D457 PolarHBondContact OG-OD2 3.05Å; S414-S648 VanDerWaalsContact CB-O 3.24Å; S414-S648 WeakPolarHBondContact CB-O 3.17Å; S414-G651 VanDerWaalsContact OG-CA 3.23Å; S414-G651 WeakPolarHBondContact OG-CA 3.45Å; S414-G651 PolarHBondContact OG-N 3.49Å; S414-G651 VanDerWaalsContact OG-N 3.09Å |
| 415 | A | 93.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | C411 V412 C418 L419 F454 D457 | C411-A415 VanDerWaalsContact O-CB 3.24Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.83Å; V412-A415 PolarHBondContact O-N 2.93Å; A415-C418 PolarHBondContact O-N 3.31Å; A415-L419 WeakPolarHBondContact O-CG 3.27Å; A415-L419 PolarHBondContact O-N 3.29Å; A415-F454 HydrophobicContact CB-CD2 4.23Å; A415-F454 HydrophobicContact CB-CE2 4.41Å; A415-D457 HydrophobicContact CB-CB 4.03Å; A415-D457 PolarHBondContact N-OD2 3.38Å |
| 416 | L | 94.4 | Very high | 89.9 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 176 | -69.5 | 173.9 | 0 | 0 | 0 | 111.8 | V412 V413 S414 C418 L419 V420 | V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.35Å; V413-L416 PolarHBondContact O-N 3.14Å; S414-L416 PolarHBondContact O-N 3.32Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-C418 PolarHBondContact O-N 3.5Å; L416-L419 PolarHBondContact O-N 3.09Å; L416-V420 WeakPolarHBondContact O-CG2 3.38Å; L416-V420 PolarHBondContact O-N 3.1Å |
| 417 | A | 91.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V413 S414 V420 T421 F652 F655 | V413-A417 WeakPolarHBondContact O-CB 3.27Å; V413-A417 PolarHBondContact O-N 3.29Å; S414-A417 PolarHBondContact O-N 3.11Å; A417-V420 PolarHBondContact O-N 3.22Å; A417-T421 PolarHBondContact O-N 3.37Å; A417-T421 PolarHBondContact O-OG1 3.4Å; A417-F652 HydrophobicContact CB-CB 4.29Å; A417-F652 HydrophobicContact CB-CD2 4.11Å; A417-F655 HydrophobicContact CB-CB 4.06Å; A417-F655 HydrophobicContact CB-CD1 4.09Å; A417-F655 HydrophobicContact CB-CG 4.27Å |
| 418 | C | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 174 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | S414 A415 L416 T421 I422 L450 F454 | S414-C418 WeakPolarHBondContact O-CB 3.38Å; S414-C418 PolarHBondContact O-N 3.17Å; S414-C418 PolarHBondContact O-SG 3.37Å; A415-C418 PolarHBondContact O-N 3.31Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-C418 PolarHBondContact O-N 3.5Å; C418-T421 VanDerWaalsContact CA-OG1 3.3Å; C418-T421 WeakPolarHBondContact CA-OG1 3.48Å; C418-T421 PolarHBondContact O-N 3.42Å; C418-T421 PolarHBondContact O-OG1 3.42Å; C418-I422 WeakPolarHBondContact O-CB 3.36Å; C418-I422 VanDerWaalsContact O-CG1 3.24Å; C418-I422 WeakPolarHBondContact O-CG1 3.43Å; C418-I422 PolarHBondContact O-N 3.35Å; C418-L450 HydrophobicContact CB-CD1 3.88Å; C418-L450 HydrophobicContact CB-CG 4.01Å; C418-L450 WeakPolarHBondContact SG-CD1 3.29Å; C418-F454 HydrophobicContact CB-CB 3.97Å; C418-F454 HydrophobicContact CB-CD2 4.42Å |
| 419 | L | 91.5 | Very high | 87.2 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 177.2 | -75.8 | 172.7 | 0 | 0 | 0 | 112.1 | A415 L416 T421 I422 A423 F454 | A415-L419 WeakPolarHBondContact O-CG 3.27Å; A415-L419 PolarHBondContact O-N 3.29Å; L416-L419 PolarHBondContact O-N 3.09Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.36Å; L419-I422 PolarHBondContact O-N 3.47Å; L419-A423 WeakPolarHBondContact O-CB 3.42Å; L419-A423 PolarHBondContact O-N 3.24Å; L419-F454 HydrophobicContact CD1-CE2 3.72Å; L419-F454 HydrophobicContact CD1-CZ 4.36Å; L419-F454 HydrophobicContact CD2-CD2 4.1Å; L419-F454 HydrophobicContact CD2-CE1 4.47Å; L419-F454 HydrophobicContact CD2-CE2 3.59Å; L419-F454 HydrophobicContact CD2-CZ 3.8Å; L419-F454 HydrophobicContact CG-CD2 3.9Å; L419-F454 HydrophobicContact CG-CE2 3.49Å; L419-F454 VanDerWaalsContact CG-CE2 3.49Å; L419-F454 HydrophobicContact CG-CZ 4.2Å |
| 420 | V | 89.5 | Confident | 85.3 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L416 A417 A424 | L416-V420 WeakPolarHBondContact O-CG2 3.38Å; L416-V420 PolarHBondContact O-N 3.1Å; A417-V420 PolarHBondContact O-N 3.22Å; V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 3.12Å |
| 421 | T | 85.9 | Confident | 83 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.4 | -44.3 | 178.7 | 33.3 | 0 | 0 | 0 | 0 | 113.2 | A417 C418 L419 A423 A424 Y425 L450 F655 Y658 | A417-T421 PolarHBondContact O-N 3.37Å; A417-T421 PolarHBondContact O-OG1 3.4Å; C418-T421 VanDerWaalsContact CA-OG1 3.3Å; C418-T421 WeakPolarHBondContact CA-OG1 3.48Å; C418-T421 PolarHBondContact O-N 3.42Å; C418-T421 PolarHBondContact O-OG1 3.42Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.36Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A424 PolarHBondContact O-N 2.7Å; T421-Y425 WeakPolarHBondContact O-CB 3.23Å; T421-Y425 PolarHBondContact O-N 3.36Å; T421-L450 WeakPolarHBondContact OG1-CD2 3.31Å; T421-F655 HydrophobicContact CG2-CB 3.9Å; T421-F655 HydrophobicContact CG2-CD2 3Å; T421-F655 HydrophobicContact CG2-CE2 3.67Å; T421-F655 HydrophobicContact CG2-CG 3.79Å; T421-Y658 HydrophobicContact CG2-CD1 4.42Å |
| 422 | I | 86.7 | Confident | 80.4 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.3 | -68.1 | 167.3 | 0 | 0 | 0 | 109.4 | C418 L419 A424 Y425 L426 L450 | C418-I422 WeakPolarHBondContact O-CB 3.36Å; C418-I422 VanDerWaalsContact O-CG1 3.24Å; C418-I422 WeakPolarHBondContact O-CG1 3.43Å; C418-I422 PolarHBondContact O-N 3.35Å; L419-I422 PolarHBondContact O-N 3.47Å; I422-A424 PolarHBondContact O-N 3.28Å; I422-Y425 WeakPolarHBondContact O-CB 3.38Å; I422-Y425 PolarHBondContact O-N 2.82Å; I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 HydrophobicContact CG2-CG 4.29Å; I422-L426 VanDerWaalsContact O-CG 3.32Å; I422-L426 WeakPolarHBondContact O-CG 3.24Å; I422-L426 PolarHBondContact O-N 3.45Å; I422-L450 HydrophobicContact CD1-CD2 4.28Å; I422-L450 HydrophobicContact CD1-CG 4.31Å; I422-L450 HydrophobicContact CG1-CD2 3.63Å; I422-L450 HydrophobicContact CG1-CG 4.2Å |
| 423 | A | 87.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L419 T421 Y425 L426 C427 | L419-A423 WeakPolarHBondContact O-CB 3.42Å; L419-A423 PolarHBondContact O-N 3.24Å; T421-A423 VanDerWaalsContact C-N 3.35Å; A423-Y425 PolarHBondContact O-N 3.4Å; A423-L426 PolarHBondContact O-N 3.11Å; A423-C427 VanDerWaalsContact O-CB 3.28Å; A423-C427 WeakPolarHBondContact O-CB 2.9Å; A423-C427 PolarHBondContact O-N 3.44Å; A423-C427 PolarHBondContact O-SG 2.79Å |
| 424 | A | 84 | Confident | 75 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V420 T421 I422 S428 R662 | V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 3.12Å; T421-A424 PolarHBondContact O-N 2.7Å; I422-A424 PolarHBondContact O-N 3.28Å; A424-S428 VanDerWaalsContact O-CB 3.23Å; A424-S428 WeakPolarHBondContact O-CB 3.34Å; A424-S428 PolarHBondContact O-N 3.25Å; A424-S428 PolarHBondContact O-OG 2.91Å; A424-S428 VanDerWaalsContact O-OG 3.05Å; A424-R662 PolarHBondContact O-NH2 2.83Å |
| 425 | Y | 81.4 | Confident | 72.3 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 11% | 0.114 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.6 | -50.2 | 172.9 | 175.7 | -108.1 | 0 | 0 | 0 | 111.5 | T421 I422 A423 S428 R429 I443 M447 | T421-Y425 WeakPolarHBondContact O-CB 3.23Å; T421-Y425 PolarHBondContact O-N 3.36Å; I422-Y425 WeakPolarHBondContact O-CB 3.38Å; I422-Y425 PolarHBondContact O-N 2.82Å; A423-Y425 PolarHBondContact O-N 3.4Å; Y425-S428 PolarHBondContact O-N 2.66Å; Y425-S428 PolarHBondContact O-OG 3.21Å; Y425-R429 VanDerWaalsContact CE1-NH2 3.35Å; Y425-R429 PolarHBondContact O-N 3.34Å; Y425-R429 PolarHBondContact OH-NE 3.24Å; Y425-R429 PolarHBondContact OH-NH2 3.05Å; Y425-I443 HydrophobicContact CD2-CG2 3.99Å; Y425-I443 HydrophobicContact CE2-CG2 3.45Å; Y425-I443 VanDerWaalsContact CE2-CG2 3.45Å; Y425-M447 HydrophobicContact CD1-CG 3.73Å; Y425-M447 HydrophobicContact CD1-SD 3.71Å; Y425-M447 HydrophobicContact CD2-CG 4.35Å; Y425-M447 HydrophobicContact CD2-SD 4.18Å; Y425-M447 HydrophobicContact CE1-CG 3.8Å; Y425-M447 HydrophobicContact CE1-SD 4.39Å; Y425-M447 HydrophobicContact CE2-CG 4.42Å; Y425-M447 HydrophobicContact CG-CG 3.99Å; Y425-M447 HydrophobicContact CG-SD 3.56Å; Y425-M447 VanDerWaalsContact CG-SD 3.56Å |
| 426 | L | 82.6 | Confident | 69.7 | Low | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 178.8 | -68.2 | 176.1 | 0 | 0 | 0 | 111.9 | I422 A423 S428 R429 | I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 HydrophobicContact CG2-CG 4.29Å; I422-L426 VanDerWaalsContact O-CG 3.32Å; I422-L426 WeakPolarHBondContact O-CG 3.24Å; I422-L426 PolarHBondContact O-N 3.45Å; A423-L426 PolarHBondContact O-N 3.11Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.08Å; L426-R429 WeakPolarHBondContact O-CB 3.39Å; L426-R429 PolarHBondContact O-N 2.8Å |
| 427 | C | 79.2 | Confident | 67 | Low | 88 Ų | 88 | 91.7 Ų | 91.7 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62 | -35.6 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | A423 R429 V430 | A423-C427 VanDerWaalsContact O-CB 3.28Å; A423-C427 WeakPolarHBondContact O-CB 2.9Å; A423-C427 PolarHBondContact O-N 3.44Å; A423-C427 PolarHBondContact O-SG 2.79Å; C427-R429 PolarHBondContact O-N 2.82Å; C427-V430 VanDerWaalsContact O-CB 3.31Å; C427-V430 WeakPolarHBondContact O-CB 3.47Å; C427-V430 WeakPolarHBondContact O-CG2 3.3Å; C427-V430 PolarHBondContact O-N 2.72Å; C427-V430 VanDerWaalsContact O-N 3.13Å |
| 428 | S | 70.9 | Confident | 65 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 35% | 0.35 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.4 | -11 | 175.9 | 70 | 0 | 0 | 0 | 0 | 114.5 | A424 Y425 L426 V430 R662 | A424-S428 VanDerWaalsContact O-CB 3.23Å; A424-S428 WeakPolarHBondContact O-CB 3.34Å; A424-S428 PolarHBondContact O-N 3.25Å; A424-S428 PolarHBondContact O-OG 2.91Å; A424-S428 VanDerWaalsContact O-OG 3.05Å; Y425-S428 PolarHBondContact O-N 2.66Å; Y425-S428 PolarHBondContact O-OG 3.21Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.08Å; S428-V430 VanDerWaalsContact C-N 3.35Å; S428-R662 PolarHBondContact OG-NH1 3.09Å |
| 429 | R | 63.4 | Low | 63.1 | Low | 148 Ų | 148 | 101.9 Ų | 101.9 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.3 | 169.3 | -68.3 | -158.8 | -173.4 | 176.6 | 7.5 | 113.1 | Y425 L426 C427 | Y425-R429 VanDerWaalsContact CE1-NH2 3.35Å; Y425-R429 PolarHBondContact O-N 3.34Å; Y425-R429 PolarHBondContact OH-NE 3.24Å; Y425-R429 PolarHBondContact OH-NH2 3.05Å; L426-R429 WeakPolarHBondContact O-CB 3.39Å; L426-R429 PolarHBondContact O-N 2.8Å; C427-R429 PolarHBondContact O-N 2.82Å |
| 430 | V | 51.4 | Low | 61.8 | Low | 104 Ų | 104 | 102 Ų | 102 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 124.3 | 164.3 | -177.5 | 0 | 0 | 0 | 0 | 106.4 | C427 S428 L432 | C427-V430 VanDerWaalsContact O-CB 3.31Å; C427-V430 WeakPolarHBondContact O-CB 3.47Å; C427-V430 WeakPolarHBondContact O-CG2 3.3Å; C427-V430 PolarHBondContact O-N 2.72Å; C427-V430 VanDerWaalsContact O-N 3.13Å; S428-V430 VanDerWaalsContact C-N 3.35Å; V430-L432 PolarHBondContact O-N 3.35Å |
| 431 | P | 43.9 | Very low | 61.1 | Low | 117 Ų | 117 | 102 Ų | 102 | 76% | 0.76 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 103.2 | -139 | 24.7 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 432 | L | 39.3 | Very low | 60.5 | Low | 148 Ų | 148 | 103.4 Ų | 103.4 | 78% | 0.775 | 53% | 0.531 | S | S | * | . | trans | -103.9 | 113 | 155.6 | -89.5 | 156.5 | 0 | 0 | 0 | 108.3 | V430 C434 | V430-L432 PolarHBondContact O-N 3.35Å; L432-C434 VanDerWaalsContact C-N 3.26Å; L432-C434 PolarHBondContact O-N 3.25Å | ||
| 433 | P | 37.4 | Very low | 60.1 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 81% | 0.805 | 53% | 0.532 | S | S | * | . | trans | -78.9 | 74.3 | -172.5 | 33.7 | -34.5 | 0 | 0 | 0 | 110.1 | ||||
| 434 | C | 37.1 | Very low | 60 | Low | 109 Ų | 109 | 104.6 Ų | 104.6 | 74% | 0.736 | 53% | 0.528 | S | S | * | . | trans | -97.9 | 93.7 | 166.1 | -85.3 | 0 | 0 | 0 | 0 | 109 | L432 R436 | L432-C434 VanDerWaalsContact C-N 3.26Å; L432-C434 PolarHBondContact O-N 3.25Å; C434-R436 PolarHBondContact O-N 3.13Å | ||
| 435 | R | 35.9 | Very low | 60.1 | Low | 233 Ų | 233 | 103.1 Ų | 103.1 | 88% | 0.879 | 52% | 0.515 | S | S | * | . | trans | -25.8 | 122.7 | 154.5 | -89.1 | 179.5 | 169.3 | 174.5 | -2.5 | 110.5 | ||||
| 436 | R | 40 | Very low | 60.2 | Low | 192 Ų | 192 | 102 Ų | 102 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | trans | 176.6 | 93.6 | 139.6 | -93.4 | 160.5 | -161.2 | 110.1 | -11.7 | 113 | C434 | C434-R436 PolarHBondContact O-N 3.13Š| ||
| 437 | K | 37.8 | Very low | 60.4 | Low | 195 Ų | 195 | 98.1 Ų | 98.1 | 85% | 0.848 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -31.8 | 149.3 | 133.7 | -144.6 | 170.7 | -174.9 | 179 | 0 | 110.5 | ||
| 438 | P | 48.5 | Very low | 61 | Low | 82 Ų | 82 | 96 Ų | 96 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96.8 | 18.6 | -30.2 | 10.6 | 13.8 | 0 | 0 | 0 | 112.6 | D440 | P438-D440 PolarHBondContact O-N 3.19Š|
| 439 | R | 51.4 | Low | 61.9 | Low | 140 Ų | 140 | 93.7 Ų | 93.7 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.5 | -178.2 | -160.2 | 169.5 | 70.9 | 154.3 | 1.1 | 113.8 | I443 | R439-I443 HydrophobicContact CG-CD1 4.09Å; R439-I443 WeakPolarHBondContact O-CD1 3.37Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.88Å |
| 440 | D | 65 | Low | 63.2 | Low | 82 Ų | 82 | 86.8 Ų | 86.8 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.7 | -31.9 | -175.8 | -67.7 | -24.3 | 0 | 0 | 0 | 114 | P438 K444 | P438-D440 PolarHBondContact O-N 3.19Å; D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 WeakPolarHBondContact O-CD 3.29Å; D440-K444 WeakPolarHBondContact O-CG 3.4Å; D440-K444 PolarHBondContact O-N 3.38Å; D440-K444 VanDerWaalsContact O-N 3.07Å |
| 441 | Y | 73.2 | Confident | 65.2 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 34% | 0.341 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.6 | -49.4 | -177.5 | -69 | -63.1 | 0 | 0 | 0 | 112 | I443 K444 V445 Y515 L516 | Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.48Å; Y441-K444 PolarHBondContact O-N 3.47Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; Y441-V445 WeakPolarHBondContact O-CG2 3.45Å; Y441-V445 PolarHBondContact O-N 3.31Å; Y441-Y515 HydrophobicContact CD1-CD1 4.31Å; Y441-L516 HydrophobicContact CD1-CD1 3.59Å; Y441-L516 HydrophobicContact CD1-CD2 3.89Å; Y441-L516 HydrophobicContact CD1-CG 3.51Å; Y441-L516 HydrophobicContact CE1-CD1 3.7Å; Y441-L516 HydrophobicContact CE1-CG 3.76Å |
| 442 | T | 75.2 | Confident | 67.6 | Low | 32 Ų | 32 | 79.3 Ų | 79.3 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | K444 V445 H446 N499 | T442-K444 VanDerWaalsContact C-N 3.34Å; T442-K444 PolarHBondContact O-N 3.39Å; T442-V445 PolarHBondContact O-N 2.92Å; T442-H446 VanDerWaalsContact O-CB 3.28Å; T442-H446 WeakPolarHBondContact O-CB 3.48Å; T442-H446 PolarHBondContact O-N 3.27Å; T442-N499 WeakPolarHBondContact CA-ND2 3.39Å; T442-N499 PolarHBondContact OG1-ND2 3.29Å; T442-N499 VanDerWaalsContact OG1-ND2 3.13Å |
| 443 | I | 78.4 | Confident | 70.1 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177 | -63.7 | 169.1 | 0 | 0 | 0 | 110.4 | Y425 R439 Y441 H446 M447 | Y425-I443 HydrophobicContact CD2-CG2 3.99Å; Y425-I443 HydrophobicContact CE2-CG2 3.45Å; Y425-I443 VanDerWaalsContact CE2-CG2 3.45Å; R439-I443 HydrophobicContact CG-CD1 4.09Å; R439-I443 WeakPolarHBondContact O-CD1 3.37Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.88Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.48Å; I443-H446 PolarHBondContact O-N 3.47Å; I443-M447 HydrophobicContact CG2-CG 4.38Å; I443-M447 VanDerWaalsContact O-CG 3.25Å; I443-M447 WeakPolarHBondContact O-CG 3.46Å; I443-M447 PolarHBondContact O-N 2.88Å |
| 444 | K | 83.9 | Confident | 72.8 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 178.8 | -74 | 171.3 | -176.2 | 177.3 | 0 | 113.1 | D440 Y441 T442 H446 M447 N448 L516 | D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 WeakPolarHBondContact O-CD 3.29Å; D440-K444 WeakPolarHBondContact O-CG 3.4Å; D440-K444 PolarHBondContact O-N 3.38Å; D440-K444 VanDerWaalsContact O-N 3.07Å; Y441-K444 PolarHBondContact O-N 3.47Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; T442-K444 VanDerWaalsContact C-N 3.34Å; T442-K444 PolarHBondContact O-N 3.39Å; K444-H446 VanDerWaalsContact C-N 3.3Å; K444-H446 PolarHBondContact O-N 2.9Å; K444-M447 PolarHBondContact O-N 2.99Å; K444-N448 PolarHBondContact O-N 3.37Å; K444-N448 VanDerWaalsContact O-N 3.1Å; K444-L516 HydrophobicContact CB-CD1 4.34Å; K444-L516 HydrophobicContact CB-CD2 4.21Å; K444-L516 HydrophobicContact CD-CD1 3.43Å; K444-L516 VanDerWaalsContact CD-CD1 3.43Å |
| 445 | V | 85.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 110 | Y441 T442 M447 N448 L449 W492 E496 N499 L516 L519 | Y441-V445 WeakPolarHBondContact O-CG2 3.45Å; Y441-V445 PolarHBondContact O-N 3.31Å; T442-V445 PolarHBondContact O-N 2.92Å; V445-M447 PolarHBondContact O-N 3.37Å; V445-N448 WeakPolarHBondContact O-CB 3.24Å; V445-N448 PolarHBondContact O-N 2.93Å; V445-N448 VanDerWaalsContact O-N 3.11Å; V445-L449 PolarHBondContact O-N 3.07Å; V445-W492 HydrophobicContact CG1-CE3 4.21Å; V445-W492 HydrophobicContact CG1-CZ3 4.1Å; V445-E496 HydrophobicContact CG1-CB 4.21Å; V445-N499 HydrophobicContact CG1-CB 4.39Å; V445-L516 HydrophobicContact CG2-CD2 4.14Å; V445-L519 HydrophobicContact CG2-CD1 3.76Å |
| 446 | H | 84.5 | Confident | 78.4 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.4 | -161.8 | 71.2 | 0 | 0 | 0 | 112.8 | T442 I443 K444 N448 L449 L450 E496 I654 W657 | T442-H446 VanDerWaalsContact O-CB 3.28Å; T442-H446 WeakPolarHBondContact O-CB 3.48Å; T442-H446 PolarHBondContact O-N 3.27Å; I443-H446 PolarHBondContact O-N 3.47Å; K444-H446 VanDerWaalsContact C-N 3.3Å; K444-H446 PolarHBondContact O-N 2.9Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 2.63Å; H446-L449 PolarHBondContact O-N 3.29Å; H446-L450 VanDerWaalsContact O-CB 3.32Å; H446-L450 WeakPolarHBondContact O-CB 3.47Å; H446-L450 PolarHBondContact O-N 2.92Å; H446-E496 IonicContact CE1-OE1 2.81Å; H446-E496 PolarHBondContact CE1-OE1 3.13Å; H446-E496 IonicContact CG-OE1 3.5Å; H446-E496 IonicContact ND1-OE1 2.86Å; H446-E496 PolarHBondContact ND1-OE1 3.37Å; H446-E496 IonicContact ND1-OE2 2.74Å; H446-E496 PolarHBondContact ND1-OE2 2.88Å; H446-I654 VanDerWaalsContact CE1-CG2 3.41Å; H446-I654 WeakPolarHBondContact CE1-CG2 3.11Å; H446-I654 WeakPolarHBondContact NE2-CG2 3.48Å; H446-W657 AromaticContact CE1-CE3 3.95Å; H446-W657 AromaticContact CE1-CZ3 3.77Å; H446-W657 AromaticContact NE2-CE3 3.76Å; H446-W657 AromaticContact NE2-CZ3 3.65Å |
| 447 | M | 87.4 | Confident | 81 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -34.5 | 173.4 | -68.2 | -61.6 | 108.6 | 0 | 0 | 112.5 | Y425 I443 K444 V445 L450 L451 Y658 | Y425-M447 HydrophobicContact CD1-CG 3.73Å; Y425-M447 HydrophobicContact CD1-SD 3.71Å; Y425-M447 HydrophobicContact CD2-CG 4.35Å; Y425-M447 HydrophobicContact CD2-SD 4.18Å; Y425-M447 HydrophobicContact CE1-CG 3.8Å; Y425-M447 HydrophobicContact CE1-SD 4.39Å; Y425-M447 HydrophobicContact CE2-CG 4.42Å; Y425-M447 HydrophobicContact CG-CG 3.99Å; Y425-M447 HydrophobicContact CG-SD 3.56Å; Y425-M447 VanDerWaalsContact CG-SD 3.56Å; I443-M447 HydrophobicContact CG2-CG 4.38Å; I443-M447 VanDerWaalsContact O-CG 3.25Å; I443-M447 WeakPolarHBondContact O-CG 3.46Å; I443-M447 PolarHBondContact O-N 2.88Å; K444-M447 PolarHBondContact O-N 2.99Å; V445-M447 PolarHBondContact O-N 3.37Å; M447-L450 HydrophobicContact CE-CD2 4.36Å; M447-L450 HydrophobicContact SD-CD2 4.46Å; M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.02Å; M447-Y658 HydrophobicContact CE-CD2 4.43Å; M447-Y658 HydrophobicContact CE-CE2 4.09Å |
| 448 | N | 91.1 | Very high | 83.7 | Confident | 44 Ų | 44 | 39 Ų | 39 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.9 | -39.5 | 175.5 | -72.6 | -32.2 | 0 | 0 | 0 | 112.1 | K444 V445 H446 L450 L451 A452 W492 | K444-N448 PolarHBondContact O-N 3.37Å; K444-N448 VanDerWaalsContact O-N 3.1Å; V445-N448 WeakPolarHBondContact O-CB 3.24Å; V445-N448 PolarHBondContact O-N 2.93Å; V445-N448 VanDerWaalsContact O-N 3.11Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 2.63Å; N448-L450 VanDerWaalsContact C-N 3.3Å; N448-L450 PolarHBondContact O-N 3.45Å; N448-L451 PolarHBondContact O-N 2.95Å; N448-A452 PolarHBondContact O-N 3.07Å; N448-W492 HydrophobicContact CB-CD2 3.81Å; N448-W492 HydrophobicContact CB-CE3 3.82Å; N448-W492 HydrophobicContact CB-CH2 3.65Å; N448-W492 HydrophobicContact CB-CZ2 3.59Å; N448-W492 HydrophobicContact CB-CZ3 3.75Å; N448-W492 WeakPolarHBondContact ND2-CH2 3.12Å |
| 449 | L | 90.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 171.7 | 174.7 | 64.7 | 0 | 0 | 0 | 110.4 | V445 H446 L451 A452 V453 W492 M493 E496 L619 I654 | V445-L449 PolarHBondContact O-N 3.07Å; H446-L449 PolarHBondContact O-N 3.29Å; L449-L451 VanDerWaalsContact C-N 3.29Å; L449-L451 PolarHBondContact O-N 2.62Å; L449-A452 CarbonylContact O-C 3.54Å; L449-A452 WeakPolarHBondContact O-CA 3.4Å; L449-A452 WeakPolarHBondContact O-CB 3.47Å; L449-A452 PolarHBondContact O-N 3.19Å; L449-V453 HydrophobicContact CD1-CG2 4.31Å; L449-V453 HydrophobicContact CG-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 2.92Å; L449-W492 HydrophobicContact CB-CB 4.19Å; L449-W492 HydrophobicContact CD1-CB 3.75Å; L449-M493 HydrophobicContact CD1-CG 3.63Å; L449-E496 WeakPolarHBondContact CD2-OE2 3.06Å; L449-L619 HydrophobicContact CD2-CD2 3.35Å; L449-I654 HydrophobicContact CD2-CD1 4.12Å |
| 450 | L | 90.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 179.6 | -170.6 | 70.4 | 0 | 0 | 0 | 112.4 | C418 T421 I422 H446 M447 N448 V453 F454 I654 | C418-L450 HydrophobicContact CB-CD1 3.88Å; C418-L450 HydrophobicContact CB-CG 4.01Å; C418-L450 WeakPolarHBondContact SG-CD1 3.29Å; T421-L450 WeakPolarHBondContact OG1-CD2 3.31Å; I422-L450 HydrophobicContact CD1-CD2 4.28Å; I422-L450 HydrophobicContact CD1-CG 4.31Å; I422-L450 HydrophobicContact CG1-CD2 3.63Å; I422-L450 HydrophobicContact CG1-CG 4.2Å; H446-L450 VanDerWaalsContact O-CB 3.32Å; H446-L450 WeakPolarHBondContact O-CB 3.47Å; H446-L450 PolarHBondContact O-N 2.92Å; M447-L450 HydrophobicContact CE-CD2 4.36Å; M447-L450 HydrophobicContact SD-CD2 4.46Å; N448-L450 VanDerWaalsContact C-N 3.3Å; N448-L450 PolarHBondContact O-N 3.45Å; L450-V453 PolarHBondContact O-N 3Å; L450-F454 WeakPolarHBondContact O-CB 3.36Å; L450-F454 PolarHBondContact O-N 3.06Å; L450-I654 HydrophobicContact CD1-CG2 4.23Å |
| 451 | L | 93 | Very high | 89.1 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 34% | 0.34 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 171 | -179.6 | 61.5 | 0 | 0 | 0 | 111.4 | M447 N448 L449 F454 L455 W524 | M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.02Å; N448-L451 PolarHBondContact O-N 2.95Å; L449-L451 VanDerWaalsContact C-N 3.29Å; L449-L451 PolarHBondContact O-N 2.62Å; L451-F454 HydrophobicContact CD1-CD1 4.42Å; L451-F454 PolarHBondContact O-N 3.23Å; L451-L455 VanDerWaalsContact O-CG 3.3Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.84Å; L451-W524 HydrophobicContact CD2-CH2 4.07Å; L451-W524 HydrophobicContact CD2-CZ2 3.97Å; L451-W524 HydrophobicContact CG-CH2 4.11Å; L451-W524 HydrophobicContact CG-CZ2 4.34Å |
| 452 | A | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N448 L449 L455 L456 T488 C489 | N448-A452 PolarHBondContact O-N 3.07Å; L449-A452 CarbonylContact O-C 3.54Å; L449-A452 WeakPolarHBondContact O-CA 3.4Å; L449-A452 WeakPolarHBondContact O-CB 3.47Å; L449-A452 PolarHBondContact O-N 3.19Å; A452-L455 PolarHBondContact O-N 2.91Å; A452-L456 WeakPolarHBondContact O-CB 3.45Å; A452-L456 PolarHBondContact O-N 3.02Å; A452-T488 HydrophobicContact CB-CG2 3.91Å; A452-C489 HydrophobicContact CB-CB 4.4Å |
| 453 | V | 92.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L449 L450 L455 L456 D457 | L449-V453 HydrophobicContact CD1-CG2 4.31Å; L449-V453 HydrophobicContact CG-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 2.92Å; L450-V453 PolarHBondContact O-N 3Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.04Å; V453-L456 WeakPolarHBondContact O-CB 3.25Å; V453-L456 PolarHBondContact O-N 3.46Å; V453-L456 VanDerWaalsContact O-N 3.16Å; V453-D457 PolarHBondContact O-N 2.91Å |
| 454 | F | 94.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.5 | 172.2 | -101.4 | 0 | 0 | 0 | 112.7 | A415 C418 L419 L450 L451 L456 T458 | A415-F454 HydrophobicContact CB-CD2 4.23Å; A415-F454 HydrophobicContact CB-CE2 4.41Å; C418-F454 HydrophobicContact CB-CB 3.97Å; C418-F454 HydrophobicContact CB-CD2 4.42Å; L419-F454 HydrophobicContact CD1-CE2 3.72Å; L419-F454 HydrophobicContact CD1-CZ 4.36Å; L419-F454 HydrophobicContact CD2-CD2 4.1Å; L419-F454 HydrophobicContact CD2-CE1 4.47Å; L419-F454 HydrophobicContact CD2-CE2 3.59Å; L419-F454 HydrophobicContact CD2-CZ 3.8Å; L419-F454 HydrophobicContact CG-CD2 3.9Å; L419-F454 HydrophobicContact CG-CE2 3.49Å; L419-F454 VanDerWaalsContact CG-CE2 3.49Å; L419-F454 HydrophobicContact CG-CZ 4.2Å; L450-F454 WeakPolarHBondContact O-CB 3.36Å; L450-F454 PolarHBondContact O-N 3.06Å; L451-F454 HydrophobicContact CD1-CD1 4.42Å; L451-F454 PolarHBondContact O-N 3.23Å; F454-L456 VanDerWaalsContact C-N 3.34Å; F454-T458 WeakPolarHBondContact O-CB 3.32Å; F454-T458 PolarHBondContact O-N 3.14Å; F454-T458 PolarHBondContact O-OG1 2.85Å |
| 455 | L | 95.7 | Very high | 91.1 | Very high | 35 Ų | 35 | 29 Ų | 29 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.1 | -67.5 | 173.8 | 0 | 0 | 0 | 111.4 | L451 A452 V453 S459 F481 W524 | L451-L455 VanDerWaalsContact O-CG 3.3Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.84Å; A452-L455 PolarHBondContact O-N 2.91Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.04Å; L455-S459 VanDerWaalsContact O-CB 3.3Å; L455-S459 WeakPolarHBondContact O-CB 3.4Å; L455-S459 PolarHBondContact O-N 2.81Å; L455-S459 PolarHBondContact O-OG 3.31Å; L455-F481 HydrophobicContact CD2-CZ 4.03Å; L455-W524 HydrophobicContact CD1-CH2 3.72Å; L455-W524 HydrophobicContact CD1-CZ3 3.68Å |
| 456 | L | 94.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 176.6 | 178.5 | 58.5 | 0 | 0 | 0 | 111.6 | A452 V453 F454 T458 S459 F460 L482 L486 C489 | A452-L456 WeakPolarHBondContact O-CB 3.45Å; A452-L456 PolarHBondContact O-N 3.02Å; V453-L456 WeakPolarHBondContact O-CB 3.25Å; V453-L456 PolarHBondContact O-N 3.46Å; V453-L456 VanDerWaalsContact O-N 3.16Å; F454-L456 VanDerWaalsContact C-N 3.34Å; L456-T458 VanDerWaalsContact C-N 3.34Å; L456-T458 PolarHBondContact O-N 2.98Å; L456-S459 PolarHBondContact O-N 3.02Å; L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 2.99Å; L456-L482 HydrophobicContact CD1-CD2 4.49Å; L456-L486 HydrophobicContact CD1-CB 3.97Å; L456-L486 HydrophobicContact CD1-CD1 4.26Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L456-C489 HydrophobicContact CD2-CB 4.01Å |
| 457 | D | 94.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.6 | -71.6 | -27.9 | 0 | 0 | 0 | 110.8 | C411 S414 A415 V453 S459 F460 L461 | C411-D457 HydrophobicContact CB-CB 4.26Å; C411-D457 PolarHBondContact SG-OD1 2.86Å; C411-D457 VanDerWaalsContact SG-OD1 3.33Å; S414-D457 WeakPolarHBondContact CB-OD2 3.43Å; S414-D457 PolarHBondContact OG-OD2 3.05Å; A415-D457 HydrophobicContact CB-CB 4.03Å; A415-D457 PolarHBondContact N-OD2 3.38Å; V453-D457 PolarHBondContact O-N 2.91Å; D457-S459 PolarHBondContact O-N 3.17Å; D457-F460 PolarHBondContact O-N 2.85Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 VanDerWaalsContact O-CG 3.22Å; D457-L461 WeakPolarHBondContact O-CG 3.49Å; D457-L461 PolarHBondContact O-N 3.46Å |
| 458 | T | 94 | Very high | 90.5 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | F454 L456 F460 L461 L462 | F454-T458 WeakPolarHBondContact O-CB 3.32Å; F454-T458 PolarHBondContact O-N 3.14Å; F454-T458 PolarHBondContact O-OG1 2.85Å; L456-T458 VanDerWaalsContact C-N 3.34Å; L456-T458 PolarHBondContact O-N 2.98Å; T458-F460 VanDerWaalsContact C-N 3.34Å; T458-F460 PolarHBondContact O-N 3.46Å; T458-L461 PolarHBondContact O-N 2.92Å; T458-L462 HydrophobicContact CG2-CD1 3.96Å; T458-L462 HydrophobicContact CG2-CG 4.45Å; T458-L462 WeakPolarHBondContact O-CB 3.4Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.17Å; T458-L462 PolarHBondContact O-N 3.4Å |
| 459 | S | 94 | Very high | 90 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L455 L456 D457 L462 S463 F481 S485 | L455-S459 VanDerWaalsContact O-CB 3.3Å; L455-S459 WeakPolarHBondContact O-CB 3.4Å; L455-S459 PolarHBondContact O-N 2.81Å; L455-S459 PolarHBondContact O-OG 3.31Å; L456-S459 PolarHBondContact O-N 3.02Å; D457-S459 PolarHBondContact O-N 3.17Å; S459-L462 PolarHBondContact O-N 3.46Å; S459-S463 PolarHBondContact O-N 3.46Å; S459-S463 VanDerWaalsContact O-N 3.12Å; S459-F481 WeakPolarHBondContact OG-CD1 3.28Å; S459-F481 WeakPolarHBondContact OG-CE1 2.85Å; S459-S485 PolarHBondContact OG-OG 3.48Å; S459-S485 VanDerWaalsContact OG-OG 3.07Å |
| 460 | F | 92.5 | Very high | 89.3 | Confident | 72 Ų | 72 | 41 Ų | 41 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 178.1 | -176.2 | -101.4 | 0 | 0 | 0 | 111.2 | C411 L456 D457 T458 L462 S463 L482 | C411-F460 HydrophobicContact CB-CD1 4.36Å; L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 2.99Å; D457-F460 PolarHBondContact O-N 2.85Å; T458-F460 VanDerWaalsContact C-N 3.34Å; T458-F460 PolarHBondContact O-N 3.46Å; F460-L462 VanDerWaalsContact C-N 3.28Å; F460-L462 PolarHBondContact O-N 3.11Å; F460-S463 WeakPolarHBondContact O-CB 3.48Å; F460-S463 PolarHBondContact O-N 2.92Å; F460-S463 VanDerWaalsContact O-N 3.15Å; F460-S463 PolarHBondContact O-OG 2.92Å; F460-L482 HydrophobicContact CB-CD1 4.41Å; F460-L482 HydrophobicContact CD2-CD1 4.37Å |
| 461 | L | 92.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -30.7 | 177.5 | -68.4 | 171.6 | 0 | 0 | 0 | 113.3 | Y408 C411 V412 D457 T458 P465 | Y408-L461 HydrophobicContact CD2-CD2 3.56Å; Y408-L461 HydrophobicContact CE2-CD2 3.57Å; Y408-L461 HydrophobicContact CG-CD2 4.12Å; C411-L461 HydrophobicContact CB-CD1 4.4Å; C411-L461 HydrophobicContact CB-CD2 4.11Å; C411-L461 HydrophobicContact CB-CG 4.14Å; V412-L461 HydrophobicContact CG2-CD1 3.86Å; V412-L461 HydrophobicContact CG2-CD2 3.75Å; V412-L461 HydrophobicContact CG2-CG 4.49Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 VanDerWaalsContact O-CG 3.22Å; D457-L461 WeakPolarHBondContact O-CG 3.49Å; D457-L461 PolarHBondContact O-N 3.46Å; T458-L461 PolarHBondContact O-N 2.92Å; L461-P465 WeakPolarHBondContact O-CD 3.45Å; L461-P465 WeakPolarHBondContact O-CG 3.39Å |
| 462 | L | 91.7 | Very high | 88.4 | Confident | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -78.9 | -23.9 | 176.1 | -72.6 | 171.6 | 0 | 0 | 0 | 113.3 | T458 S459 F460 E464 P465 V466 | T458-L462 HydrophobicContact CG2-CD1 3.96Å; T458-L462 HydrophobicContact CG2-CG 4.45Å; T458-L462 WeakPolarHBondContact O-CB 3.4Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.17Å; T458-L462 PolarHBondContact O-N 3.4Å; S459-L462 PolarHBondContact O-N 3.46Å; F460-L462 VanDerWaalsContact C-N 3.28Å; F460-L462 PolarHBondContact O-N 3.11Å; L462-E464 PolarHBondContact O-N 2.77Å; L462-P465 WeakPolarHBondContact O-CD 3.48Å; L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.41Å; L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 2.91Å |
| 463 | S | 88.3 | Confident | 88 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | -170.6 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | S459 F460 A467 | S459-S463 PolarHBondContact O-N 3.46Å; S459-S463 VanDerWaalsContact O-N 3.12Å; F460-S463 WeakPolarHBondContact O-CB 3.48Å; F460-S463 PolarHBondContact O-N 2.92Å; F460-S463 VanDerWaalsContact O-N 3.15Å; F460-S463 PolarHBondContact O-OG 2.92Å; S463-A467 WeakPolarHBondContact O-CB 3.26Å; S463-A467 PolarHBondContact O-N 2.85Å; S463-A467 VanDerWaalsContact O-N 3.11Å |
| 464 | E | 84.7 | Confident | 87.8 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74 | -52 | 179 | 168.5 | -179.6 | -170.4 | 0 | 0 | 111.7 | L462 V466 A467 L468 | L462-E464 PolarHBondContact O-N 2.77Å; E464-V466 VanDerWaalsContact C-N 3.28Å; E464-V466 PolarHBondContact O-N 2.84Å; E464-A467 WeakPolarHBondContact O-CB 3.39Å; E464-A467 PolarHBondContact O-N 2.73Å; E464-A467 VanDerWaalsContact O-N 3.15Å; E464-L468 HydrophobicContact CG-CD1 4.3Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; E464-L468 PolarHBondContact O-N 3.01Å |
| 465 | P | 86.9 | Confident | 87.5 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.9 | -41.7 | 174.1 | -27.2 | 33.7 | 0 | 0 | 0 | 113.4 | L461 L462 L468 T469 | L461-P465 WeakPolarHBondContact O-CD 3.45Å; L461-P465 WeakPolarHBondContact O-CG 3.39Å; L462-P465 WeakPolarHBondContact O-CD 3.48Å; P465-L468 PolarHBondContact O-N 3.48Å; P465-T469 WeakPolarHBondContact O-CG2 3.46Å; P465-T469 PolarHBondContact O-N 3.17Å |
| 466 | V | 85.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L462 E464 L468 T469 G474 | L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.41Å; L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 2.91Å; E464-V466 VanDerWaalsContact C-N 3.28Å; E464-V466 PolarHBondContact O-N 2.84Å; V466-L468 VanDerWaalsContact C-N 3.28Å; V466-L468 PolarHBondContact O-N 3.47Å; V466-T469 PolarHBondContact O-N 3.43Å; V466-T469 PolarHBondContact O-OG1 3.21Å; V466-G474 WeakPolarHBondContact CG1-O 3.39Å |
| 467 | A | 80.4 | Confident | 87.1 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S463 E464 T469 G470 S560 C562 | S463-A467 WeakPolarHBondContact O-CB 3.26Å; S463-A467 PolarHBondContact O-N 2.85Å; S463-A467 VanDerWaalsContact O-N 3.11Å; E464-A467 WeakPolarHBondContact O-CB 3.39Å; E464-A467 PolarHBondContact O-N 2.73Å; E464-A467 VanDerWaalsContact O-N 3.15Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.11Å; A467-G470 PolarHBondContact O-N 3.01Å; A467-S560 WeakPolarHBondContact CB-O 3.49Å; A467-S560 VanDerWaalsContact CB-OG 3.28Å; A467-S560 WeakPolarHBondContact CB-OG 3.26Å; A467-C562 VanDerWaalsContact CB-SG 3.6Å |
| 468 | L | 78.1 | Confident | 87 | Confident | 109 Ų | 109 | 53 Ų | 53 | 57% | 0.571 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.7 | -23.9 | 177.3 | -69.3 | 170.1 | 0 | 0 | 0 | 113.7 | E464 P465 V466 G470 | E464-L468 HydrophobicContact CG-CD1 4.3Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; E464-L468 PolarHBondContact O-N 3.01Å; P465-L468 PolarHBondContact O-N 3.48Å; V466-L468 VanDerWaalsContact C-N 3.28Å; V466-L468 PolarHBondContact O-N 3.47Å; L468-G470 PolarHBondContact O-N 3.38Å |
| 469 | T | 81.8 | Confident | 86.9 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16 | 176 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | P465 V466 A467 S471 | P465-T469 WeakPolarHBondContact O-CG2 3.46Å; P465-T469 PolarHBondContact O-N 3.17Å; V466-T469 PolarHBondContact O-N 3.43Å; V466-T469 PolarHBondContact O-OG1 3.21Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.11Å; T469-S471 PolarHBondContact O-N 3.07Å |
| 470 | G | 74.6 | Confident | 87 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 67% | 0.67 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 4.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A467 L468 E472 | A467-G470 PolarHBondContact O-N 3.01Å; L468-G470 PolarHBondContact O-N 3.38Å; G470-E472 PolarHBondContact O-N 3.48Å |
| 471 | S | 81.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | trans | -79.1 | 110.9 | 176 | 177.6 | 0 | 0 | 0 | 0 | 111 | T469 A473 G474 C475 | T469-S471 PolarHBondContact O-N 3.07Å; S471-A473 VanDerWaalsContact C-N 3.32Å; S471-A473 PolarHBondContact O-N 3.17Å; S471-G474 PolarHBondContact O-N 3.27Å; S471-G474 PolarHBondContact OG-N 2.6Å; S471-G474 VanDerWaalsContact OG-N 3.14Å; S471-C475 WeakPolarHBondContact O-CB 3.45Å; S471-C475 PolarHBondContact O-N 3.26Å | ||
| 472 | E | 82.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.1 | -43.8 | 176.2 | -68.3 | -173.2 | 174.2 | 0 | 0 | 112.1 | G470 C475 R476 | G470-E472 PolarHBondContact O-N 3.48Å; E472-C475 PolarHBondContact O-N 3.05Å; E472-R476 WeakPolarHBondContact O-CB 3.4Å; E472-R476 WeakPolarHBondContact O-CG 3.27Å; E472-R476 PolarHBondContact O-N 3.04Å |
| 473 | A | 86.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S471 R476 A477 | S471-A473 VanDerWaalsContact C-N 3.32Å; S471-A473 PolarHBondContact O-N 3.17Å; A473-R476 PolarHBondContact O-N 3.08Å; A473-A477 WeakPolarHBondContact O-CB 3.4Å; A473-A477 PolarHBondContact O-N 3.05Å |
| 474 | G | 88 | Confident | 87.7 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V466 S471 A477 S478 | V466-G474 WeakPolarHBondContact CG1-O 3.39Å; S471-G474 PolarHBondContact O-N 3.27Å; S471-G474 PolarHBondContact OG-N 2.6Å; S471-G474 VanDerWaalsContact OG-N 3.14Å; G474-A477 PolarHBondContact O-N 2.8Å; G474-S478 WeakPolarHBondContact O-CB 3.1Å; G474-S478 PolarHBondContact O-N 2.96Å |
| 475 | C | 88.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 179.3 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | S471 E472 A477 S478 A479 C562 | S471-C475 WeakPolarHBondContact O-CB 3.45Å; S471-C475 PolarHBondContact O-N 3.26Å; E472-C475 PolarHBondContact O-N 3.05Å; C475-A477 PolarHBondContact O-N 3.49Å; C475-S478 PolarHBondContact O-N 2.97Å; C475-A479 WeakPolarHBondContact O-CB 3.45Å; C475-A479 PolarHBondContact O-N 2.91Å; C475-C562 WeakPolarHBondContact CA-SG 3.49Å; C475-C562 HydrophobicContact CB-CB 4.12Å; C475-C562 WeakPolarHBondContact CB-SG 3.45Å; C475-C562 WeakPolarHBondContact O-CB 3.33Å; C475-C562 VanDerWaalsContact SG-CA 3.52Å; C475-C562 WeakPolarHBondContact SG-CB 3.18Å; C475-C562 CovalentContact SG-SG 2.03Å; C475-C562 PolarHBondContact SG-SG 3.19Å |
| 476 | R | 90.1 | Very high | 88.5 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 28% | 0.275 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 172.6 | -77.3 | 176.6 | 179.5 | 145.7 | 3.1 | 111.7 | E472 A473 S478 A479 I480 D540 Y542 | E472-R476 WeakPolarHBondContact O-CB 3.4Å; E472-R476 WeakPolarHBondContact O-CG 3.27Å; E472-R476 PolarHBondContact O-N 3.04Å; A473-R476 PolarHBondContact O-N 3.08Å; R476-S478 PolarHBondContact O-N 2.81Å; R476-A479 PolarHBondContact O-N 3.46Å; R476-I480 WeakPolarHBondContact O-CB 3.42Å; R476-I480 VanDerWaalsContact O-CG1 3.25Å; R476-I480 WeakPolarHBondContact O-CG1 3.07Å; R476-I480 PolarHBondContact O-N 2.93Å; R476-D540 IonicContact CZ-OD1 3.96Å; R476-D540 IonicContact NE-OD1 3.49Å; R476-D540 IonicContact NH2-OD1 3.32Å; R476-D540 PolarHBondContact NH2-OD1 3.27Å; R476-Y542 WeakPolarHBondContact CG-O 3.26Å |
| 477 | A | 92.2 | Very high | 88.9 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A473 G474 C475 I480 F481 | A473-A477 WeakPolarHBondContact O-CB 3.4Å; A473-A477 PolarHBondContact O-N 3.05Å; G474-A477 PolarHBondContact O-N 2.8Å; C475-A477 PolarHBondContact O-N 3.49Å; A477-I480 PolarHBondContact O-N 2.98Å; A477-F481 WeakPolarHBondContact O-CB 3.36Å; A477-F481 PolarHBondContact O-N 3.47Å |
| 478 | S | 92.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.2 | -174 | 0 | 0 | 0 | 0 | 112.3 | G474 C475 R476 F481 L482 | G474-S478 WeakPolarHBondContact O-CB 3.1Å; G474-S478 PolarHBondContact O-N 2.96Å; C475-S478 PolarHBondContact O-N 2.97Å; R476-S478 PolarHBondContact O-N 2.81Å; S478-F481 PolarHBondContact O-N 3.16Å; S478-L482 WeakPolarHBondContact O-CB 3.38Å; S478-L482 PolarHBondContact O-N 3.33Å |
| 479 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C475 R476 F481 L482 H483 Y542 C562 | C475-A479 WeakPolarHBondContact O-CB 3.45Å; C475-A479 PolarHBondContact O-N 2.91Å; R476-A479 PolarHBondContact O-N 3.46Å; A479-F481 VanDerWaalsContact C-N 3.32Å; A479-F481 PolarHBondContact O-N 3.34Å; A479-L482 PolarHBondContact O-N 3.05Å; A479-H483 WeakPolarHBondContact O-CB 3.34Å; A479-H483 PolarHBondContact O-N 2.76Å; A479-Y542 HydrophobicContact CB-CD1 3.95Å; A479-Y542 HydrophobicContact CB-CG 4.47Å; A479-C562 HydrophobicContact CB-CB 4.15Å |
| 480 | I | 94.2 | Very high | 90.8 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 174.1 | -70.5 | 167.8 | 0 | 0 | 0 | 110.2 | R476 A477 H483 F484 V531 Y542 | R476-I480 WeakPolarHBondContact O-CB 3.42Å; R476-I480 VanDerWaalsContact O-CG1 3.25Å; R476-I480 WeakPolarHBondContact O-CG1 3.07Å; R476-I480 PolarHBondContact O-N 2.93Å; A477-I480 PolarHBondContact O-N 2.98Å; I480-H483 PolarHBondContact O-N 2.85Å; I480-F484 WeakPolarHBondContact O-CB 3.27Å; I480-F484 PolarHBondContact O-N 2.96Å; I480-V531 HydrophobicContact CG2-CG1 3.72Å; I480-Y542 HydrophobicContact CD1-CD2 4.22Å; I480-Y542 HydrophobicContact CG1-CD1 4.01Å; I480-Y542 HydrophobicContact CG1-CD2 3.73Å; I480-Y542 HydrophobicContact CG1-CE1 4.19Å; I480-Y542 HydrophobicContact CG1-CE2 3.91Å; I480-Y542 HydrophobicContact CG1-CG 3.78Å |
| 481 | F | 95.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 31.2 Ų | 31.2 | 32% | 0.32 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 179.6 | -172.5 | -119.7 | 0 | 0 | 0 | 112.6 | L455 S459 A477 S478 A479 F484 S485 | L455-F481 HydrophobicContact CD2-CZ 4.03Å; S459-F481 WeakPolarHBondContact OG-CD1 3.28Å; S459-F481 WeakPolarHBondContact OG-CE1 2.85Å; A477-F481 WeakPolarHBondContact O-CB 3.36Å; A477-F481 PolarHBondContact O-N 3.47Å; S478-F481 PolarHBondContact O-N 3.16Å; A479-F481 VanDerWaalsContact C-N 3.32Å; A479-F481 PolarHBondContact O-N 3.34Å; F481-F484 HydrophobicContact CD2-CD1 4.37Å; F481-S485 WeakPolarHBondContact O-CB 3.41Å; F481-S485 PolarHBondContact O-N 2.94Å; F481-S485 PolarHBondContact O-OG 2.97Å |
| 482 | L | 94.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.1 | -156 | 155.2 | 0 | 0 | 0 | 111.3 | L456 F460 S478 A479 S485 L486 W563 | L456-L482 HydrophobicContact CD1-CD2 4.49Å; F460-L482 HydrophobicContact CB-CD1 4.41Å; F460-L482 HydrophobicContact CD2-CD1 4.37Å; S478-L482 WeakPolarHBondContact O-CB 3.38Å; S478-L482 PolarHBondContact O-N 3.33Å; A479-L482 PolarHBondContact O-N 3.05Å; L482-S485 PolarHBondContact O-N 3.01Å; L482-L486 WeakPolarHBondContact O-CB 2.95Å; L482-L486 PolarHBondContact O-N 3.05Å; L482-W563 HydrophobicContact CB-CE3 4.33Å; L482-W563 HydrophobicContact CB-CZ3 4.05Å; L482-W563 HydrophobicContact CD2-CE3 3.6Å; L482-W563 HydrophobicContact CD2-CH2 3.86Å; L482-W563 HydrophobicContact CD2-CZ3 3.08Å; L482-W563 HydrophobicContact CG-CE3 4.35Å; L482-W563 HydrophobicContact CG-CZ3 4.06Å |
| 483 | H | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 177 | -176.7 | -151 | 0 | 0 | 0 | 111.4 | A479 I480 S485 L486 L487 Y542 W563 T573 N574 | A479-H483 WeakPolarHBondContact O-CB 3.34Å; A479-H483 PolarHBondContact O-N 2.76Å; I480-H483 PolarHBondContact O-N 2.85Å; H483-S485 PolarHBondContact O-N 2.88Å; H483-L486 PolarHBondContact O-N 2.78Å; H483-L487 WeakPolarHBondContact O-CG 3.43Å; H483-L487 PolarHBondContact O-N 2.9Å; H483-Y542 HydrophobicContact CB-CE1 4.21Å; H483-Y542 PolarHBondContact CE1-OH 2.96Å; H483-Y542 AromaticContact ND1-CE1 3.76Å; H483-Y542 AromaticContact ND1-CZ 3.78Å; H483-Y542 PolarHBondContact ND1-OH 3.48Å; H483-W563 HydrophobicContact CB-CH2 4.5Å; H483-W563 HydrophobicContact CB-CZ3 4.22Å; H483-T573 PolarHBondContact NE2-OG1 2.81Å; H483-N574 PolarHBondContact CD2-OD1 3.4Å; H483-N574 PolarHBondContact NE2-OD1 2.79Å |
| 484 | F | 96 | Very high | 92.6 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 175.2 | 166.3 | -113 | 0 | 0 | 0 | 112.5 | I480 F481 L486 L487 T488 W524 P527 I528 V531 | I480-F484 WeakPolarHBondContact O-CB 3.27Å; I480-F484 PolarHBondContact O-N 2.96Å; F481-F484 HydrophobicContact CD2-CD1 4.37Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 2.65Å; F484-L487 PolarHBondContact O-N 3.47Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.2Å; F484-T488 WeakPolarHBondContact CE2-OG1 2.97Å; F484-T488 VanDerWaalsContact O-CB 3.23Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 PolarHBondContact O-N 2.93Å; F484-T488 PolarHBondContact O-OG1 3.06Å; F484-W524 AromaticContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CZ3 4.17Å; F484-P527 HydrophobicContact CD2-CB 3.95Å; F484-P527 HydrophobicContact CE2-CB 4.03Å; F484-I528 HydrophobicContact CD2-CG1 4.09Å; F484-I528 HydrophobicContact CE2-CD1 4.27Å; F484-I528 HydrophobicContact CE2-CG1 3.48Å; F484-I528 VanDerWaalsContact CE2-CG1 3.48Å; F484-I528 HydrophobicContact CZ-CG1 4.14Å; F484-V531 HydrophobicContact CB-CG2 4.08Å |
| 485 | S | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | -178.8 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | S459 F481 L482 H483 C489 | S459-S485 PolarHBondContact OG-OG 3.48Å; S459-S485 VanDerWaalsContact OG-OG 3.07Å; F481-S485 WeakPolarHBondContact O-CB 3.41Å; F481-S485 PolarHBondContact O-N 2.94Å; F481-S485 PolarHBondContact O-OG 2.97Å; L482-S485 PolarHBondContact O-N 3.01Å; H483-S485 PolarHBondContact O-N 2.88Å; S485-C489 WeakPolarHBondContact O-CB 3.22Å; S485-C489 PolarHBondContact O-N 2.99Å |
| 486 | L | 93.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 19 Ų | 19 | 12% | 0.115 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -53.3 | 175.2 | 179.6 | 66.8 | 0 | 0 | 0 | 111.4 | L456 L482 H483 F484 T488 C489 L490 W563 W623 | L456-L486 HydrophobicContact CD1-CB 3.97Å; L456-L486 HydrophobicContact CD1-CD1 4.26Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L482-L486 WeakPolarHBondContact O-CB 2.95Å; L482-L486 PolarHBondContact O-N 3.05Å; H483-L486 PolarHBondContact O-N 2.78Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 2.65Å; L486-T488 PolarHBondContact O-N 2.77Å; L486-C489 WeakPolarHBondContact O-CB 3.28Å; L486-C489 PolarHBondContact O-N 3.38Å; L486-C489 VanDerWaalsContact O-N 3.17Å; L486-L490 HydrophobicContact CG-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.18Å; L486-W563 HydrophobicContact CD2-CH2 3.77Å; L486-W563 HydrophobicContact CD2-CZ2 4.33Å; L486-W623 HydrophobicContact CD1-CH2 3.83Å; L486-W623 HydrophobicContact CD1-CZ3 4.08Å |
| 487 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -35.5 | -179.8 | -66.8 | -166.4 | 0 | 0 | 0 | 112.1 | H483 F484 L490 S491 P527 L530 V531 L577 | H483-L487 WeakPolarHBondContact O-CG 3.43Å; H483-L487 PolarHBondContact O-N 2.9Å; F484-L487 PolarHBondContact O-N 3.47Å; L487-L490 HydrophobicContact CD2-CD1 4.48Å; L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 2.9Å; L487-S491 PolarHBondContact O-OG 3.2Å; L487-P527 HydrophobicContact CB-CB 3.87Å; L487-P527 HydrophobicContact CB-CG 4.26Å; L487-L530 HydrophobicContact CD1-CB 4.12Å; L487-L530 HydrophobicContact CD1-CD1 4.24Å; L487-V531 HydrophobicContact CD1-CG2 4.09Å; L487-L577 HydrophobicContact CD1-CD1 4.01Å; L487-L577 HydrophobicContact CD2-CD1 3.57Å; L487-L577 HydrophobicContact CG-CD1 4.27Å |
| 488 | T | 95 | Very high | 92 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.1 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | A452 F484 L486 S491 W492 W524 P527 | A452-T488 HydrophobicContact CB-CG2 3.91Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.2Å; F484-T488 WeakPolarHBondContact CE2-OG1 2.97Å; F484-T488 VanDerWaalsContact O-CB 3.23Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 PolarHBondContact O-N 2.93Å; F484-T488 PolarHBondContact O-OG1 3.06Å; L486-T488 PolarHBondContact O-N 2.77Å; T488-S491 PolarHBondContact O-N 2.83Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.94Å; T488-W524 HydrophobicContact CG2-CD2 4Å; T488-W524 HydrophobicContact CG2-CE3 3.42Å; T488-W524 VanDerWaalsContact CG2-CE3 3.42Å; T488-W524 HydrophobicContact CG2-CH2 3.98Å; T488-W524 HydrophobicContact CG2-CZ2 4.49Å; T488-W524 HydrophobicContact CG2-CZ3 3.44Å; T488-W524 VanDerWaalsContact CG2-CZ3 3.44Å; T488-P527 WeakPolarHBondContact OG1-CB 2.95Å |
| 489 | C | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | A452 L456 S485 L486 S491 W492 M493 | A452-C489 HydrophobicContact CB-CB 4.4Å; L456-C489 HydrophobicContact CD2-CB 4.01Å; S485-C489 WeakPolarHBondContact O-CB 3.22Å; S485-C489 PolarHBondContact O-N 2.99Å; L486-C489 WeakPolarHBondContact O-CB 3.28Å; L486-C489 PolarHBondContact O-N 3.38Å; L486-C489 VanDerWaalsContact O-N 3.17Å; C489-S491 VanDerWaalsContact C-N 3.34Å; C489-S491 PolarHBondContact O-N 2.87Å; C489-W492 PolarHBondContact O-N 2.77Å; C489-M493 WeakPolarHBondContact O-CG 3.45Å; C489-M493 PolarHBondContact O-N 3.35Å |
| 490 | L | 91.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.3 | -67.5 | 177.5 | 0 | 0 | 0 | 112.7 | L486 L487 M493 G494 F578 | L486-L490 HydrophobicContact CG-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.18Å; L487-L490 HydrophobicContact CD2-CD1 4.48Å; L490-M493 HydrophobicContact CD2-SD 4.31Å; L490-M493 PolarHBondContact O-N 3.42Å; L490-G494 PolarHBondContact O-N 2.84Å; L490-F578 HydrophobicContact CD1-CB 4.21Å; L490-F578 HydrophobicContact CD2-CD2 3.89Å |
| 491 | S | 92.2 | Very high | 90.3 | Very high | 18 Ų | 18 | 17.8 Ų | 17.8 | 13% | 0.126 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 178 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | L487 T488 C489 M493 G494 L495 P527 | L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 2.9Å; L487-S491 PolarHBondContact O-OG 3.2Å; T488-S491 PolarHBondContact O-N 2.83Å; C489-S491 VanDerWaalsContact C-N 3.34Å; C489-S491 PolarHBondContact O-N 2.87Å; S491-M493 VanDerWaalsContact C-N 3.35Å; S491-M493 PolarHBondContact O-N 2.96Å; S491-G494 PolarHBondContact O-N 2.8Å; S491-L495 WeakPolarHBondContact O-CG 3.29Å; S491-L495 PolarHBondContact O-N 3.24Å; S491-P527 WeakPolarHBondContact OG-CG 3.43Å |
| 492 | W | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 176.3 | -82.5 | 106.1 | 0 | 0 | 0 | 113.3 | V445 N448 L449 T488 C489 L495 E496 L519 W524 | V445-W492 HydrophobicContact CG1-CE3 4.21Å; V445-W492 HydrophobicContact CG1-CZ3 4.1Å; N448-W492 HydrophobicContact CB-CD2 3.81Å; N448-W492 HydrophobicContact CB-CE3 3.82Å; N448-W492 HydrophobicContact CB-CH2 3.65Å; N448-W492 HydrophobicContact CB-CZ2 3.59Å; N448-W492 HydrophobicContact CB-CZ3 3.75Å; N448-W492 WeakPolarHBondContact ND2-CH2 3.12Å; L449-W492 HydrophobicContact CB-CB 4.19Å; L449-W492 HydrophobicContact CD1-CB 3.75Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.94Å; C489-W492 PolarHBondContact O-N 2.77Å; W492-L495 HydrophobicContact CD2-CD1 4.47Å; W492-L495 HydrophobicContact CE3-CB 4.31Å; W492-L495 HydrophobicContact CE3-CD1 4.17Å; W492-L495 HydrophobicContact CZ3-CD1 4.22Å; W492-L495 PolarHBondContact O-N 2.92Å; W492-E496 WeakPolarHBondContact O-CB 3.4Å; W492-E496 PolarHBondContact O-N 3.09Å; W492-L519 HydrophobicContact CH2-CB 4.44Å; W492-W524 AromaticContact CE2-CD1 3.98Å; W492-W524 AromaticContact CE2-NE1 3.56Å; W492-W524 AromaticContact CZ2-CD1 3.6Å; W492-W524 AromaticContact CZ2-NE1 3.3Å; W492-W524 VanDerWaalsContact CZ2-NE1 3.3Å; W492-W524 AromaticContact NE1-CD1 3.72Å; W492-W524 AromaticContact NE1-CD2 3.83Å; W492-W524 AromaticContact NE1-CE2 3.37Å; W492-W524 AromaticContact NE1-CZ2 3.79Å; W492-W524 AromaticContact NE1-NE1 3.32Å |
| 493 | M | 89.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 173.4 | -69.4 | 166.6 | 85.3 | 0 | 0 | 111.1 | L449 C489 L490 S491 E496 G497 L619 W623 Q650 | L449-M493 HydrophobicContact CD1-CG 3.63Å; C489-M493 WeakPolarHBondContact O-CG 3.45Å; C489-M493 PolarHBondContact O-N 3.35Å; L490-M493 HydrophobicContact CD2-SD 4.31Å; L490-M493 PolarHBondContact O-N 3.42Å; S491-M493 VanDerWaalsContact C-N 3.35Å; S491-M493 PolarHBondContact O-N 2.96Å; M493-E496 PolarHBondContact O-N 2.94Å; M493-G497 PolarHBondContact O-N 2.94Å; M493-G497 VanDerWaalsContact O-N 3.08Å; M493-L619 VanDerWaalsContact CE-C 3.49Å; M493-L619 WeakPolarHBondContact CE-O 3.32Å; M493-L619 HydrophobicContact CG-CD2 4.48Å; M493-W623 VanDerWaalsContact CE-CD1 3.48Å; M493-W623 HydrophobicContact CE-CG 4.46Å; M493-Q650 VanDerWaalsContact CE-NE2 3.29Å |
| 494 | G | 89.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L490 S491 E496 G497 Y498 | L490-G494 PolarHBondContact O-N 2.84Å; S491-G494 PolarHBondContact O-N 2.8Å; G494-E496 PolarHBondContact O-N 2.76Å; G494-G497 PolarHBondContact O-N 3.44Å; G494-Y498 PolarHBondContact O-N 2.8Å |
| 495 | L | 90.2 | Very high | 86.6 | Confident | 23 Ų | 23 | 20.4 Ų | 20.4 | 12% | 0.12 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.6 | -33.8 | 177.9 | -67.6 | -178.3 | 0 | 0 | 0 | 113 | S491 W492 Y498 N499 L519 M522 | S491-L495 WeakPolarHBondContact O-CG 3.29Å; S491-L495 PolarHBondContact O-N 3.24Å; W492-L495 HydrophobicContact CD2-CD1 4.47Å; W492-L495 HydrophobicContact CE3-CB 4.31Å; W492-L495 HydrophobicContact CE3-CD1 4.17Å; W492-L495 HydrophobicContact CZ3-CD1 4.22Å; W492-L495 PolarHBondContact O-N 2.92Å; L495-Y498 PolarHBondContact O-N 2.9Å; L495-N499 WeakPolarHBondContact O-CB 3.45Å; L495-N499 PolarHBondContact O-N 2.99Å; L495-L519 HydrophobicContact CB-CD2 4.46Å; L495-L519 HydrophobicContact CD1-CB 4.4Å; L495-L519 HydrophobicContact CD1-CD2 4.23Å; L495-L519 VanDerWaalsContact CD1-O 3.28Å; L495-L519 WeakPolarHBondContact CD1-O 3.33Å; L495-L519 HydrophobicContact CD2-CD2 3.73Å; L495-L519 HydrophobicContact CG-CD2 4.34Å; L495-M522 HydrophobicContact CD1-CB 4.4Å; L495-M522 HydrophobicContact CD2-CG 4.36Å |
| 496 | E | 86 | Confident | 85.4 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 173.2 | -176.6 | 157.6 | 168.4 | 0 | 0 | 111 | V445 H446 L449 W492 M493 G494 Y498 N499 L500 L619 | V445-E496 HydrophobicContact CG1-CB 4.21Å; H446-E496 IonicContact CE1-OE1 2.81Å; H446-E496 PolarHBondContact CE1-OE1 3.13Å; H446-E496 IonicContact CG-OE1 3.5Å; H446-E496 IonicContact ND1-OE1 2.86Å; H446-E496 PolarHBondContact ND1-OE1 3.37Å; H446-E496 IonicContact ND1-OE2 2.74Å; H446-E496 PolarHBondContact ND1-OE2 2.88Å; L449-E496 WeakPolarHBondContact CD2-OE2 3.06Å; W492-E496 WeakPolarHBondContact O-CB 3.4Å; W492-E496 PolarHBondContact O-N 3.09Å; M493-E496 PolarHBondContact O-N 2.94Å; G494-E496 PolarHBondContact O-N 2.76Å; E496-Y498 VanDerWaalsContact C-N 3.3Å; E496-Y498 PolarHBondContact O-N 2.9Å; E496-N499 PolarHBondContact O-N 3.1Å; E496-N499 VanDerWaalsContact O-N 3.16Å; E496-L500 HydrophobicContact CG-CD1 4.18Å; E496-L500 VanDerWaalsContact O-CG 3.3Å; E496-L500 WeakPolarHBondContact O-CG 3.28Å; E496-L500 PolarHBondContact O-N 3.25Å; E496-L619 HydrophobicContact CB-CD1 4.25Å; E496-L619 HydrophobicContact CG-CD1 3.68Å |
| 497 | G | 85 | Confident | 83.8 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.4 | -45.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M493 G494 L500 Y501 M588 | M493-G497 PolarHBondContact O-N 2.94Å; M493-G497 VanDerWaalsContact O-N 3.08Å; G494-G497 PolarHBondContact O-N 3.44Å; G497-L500 PolarHBondContact O-N 3.46Å; G497-Y501 PolarHBondContact O-N 2.88Å; G497-M588 VanDerWaalsContact C-CE 3.46Å; G497-M588 VanDerWaalsContact C-SD 3.52Å |
| 498 | Y | 85.8 | Confident | 81.7 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.4 | 179.5 | -109.6 | 0 | 0 | 0 | 112.9 | G494 L495 E496 L500 Y501 R502 Y515 F584 M588 | G494-Y498 PolarHBondContact O-N 2.8Å; L495-Y498 PolarHBondContact O-N 2.9Å; E496-Y498 VanDerWaalsContact C-N 3.3Å; E496-Y498 PolarHBondContact O-N 2.9Å; Y498-L500 VanDerWaalsContact C-N 3.3Å; Y498-L500 PolarHBondContact O-N 2.78Å; Y498-Y501 WeakPolarHBondContact O-CB 3.33Å; Y498-Y501 PolarHBondContact O-N 2.86Å; Y498-R502 HydrophobicContact CE1-CG 4.15Å; Y498-R502 HydrophobicContact CE2-CG 4.21Å; Y498-R502 PolarHBondContact O-N 3.41Å; Y498-Y515 HydrophobicContact CE1-CE2 4.42Å; Y498-F584 HydrophobicContact CD2-CZ 4.08Å; Y498-F584 HydrophobicContact CG-CZ 4.45Å; Y498-M588 WeakPolarHBondContact CA-SD 3.14Å; Y498-M588 HydrophobicContact CD2-SD 4.35Å; Y498-M588 PolarHBondContact N-SD 3.46Å |
| 499 | N | 82.7 | Confident | 79.7 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 177.4 | -176.2 | 74 | 0 | 0 | 0 | 112 | T442 V445 L495 E496 L503 Y515 | T442-N499 WeakPolarHBondContact CA-ND2 3.39Å; T442-N499 PolarHBondContact OG1-ND2 3.29Å; T442-N499 VanDerWaalsContact OG1-ND2 3.13Å; V445-N499 HydrophobicContact CG1-CB 4.39Å; L495-N499 WeakPolarHBondContact O-CB 3.45Å; L495-N499 PolarHBondContact O-N 2.99Å; E496-N499 PolarHBondContact O-N 3.1Å; E496-N499 VanDerWaalsContact O-N 3.16Å; N499-L503 WeakPolarHBondContact O-CB 3.22Å; N499-L503 PolarHBondContact O-N 3.47Å; N499-Y515 PolarHBondContact OD1-OH 2.83Å |
| 500 | L | 79.5 | Confident | 78.1 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 174.3 | -67.7 | 166.6 | 0 | 0 | 0 | 112.1 | E496 G497 Y498 R502 L503 V504 M592 L612 L615 | E496-L500 HydrophobicContact CG-CD1 4.18Å; E496-L500 VanDerWaalsContact O-CG 3.3Å; E496-L500 WeakPolarHBondContact O-CG 3.28Å; E496-L500 PolarHBondContact O-N 3.25Å; G497-L500 PolarHBondContact O-N 3.46Å; Y498-L500 VanDerWaalsContact C-N 3.3Å; Y498-L500 PolarHBondContact O-N 2.78Å; L500-R502 PolarHBondContact O-N 3.5Å; L500-L503 WeakPolarHBondContact O-CB 3.48Å; L500-L503 PolarHBondContact O-N 3.42Å; L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 3.46Å; L500-V504 VanDerWaalsContact O-N 3.09Å; L500-M592 HydrophobicContact CB-CE 3.86Å; L500-M592 HydrophobicContact CB-SD 4.21Å; L500-L612 HydrophobicContact CD2-CD1 4.28Å; L500-L615 HydrophobicContact CD1-CD2 3.32Å; L500-L615 HydrophobicContact CD2-CD2 4.23Å; L500-L615 HydrophobicContact CG-CD2 4.37Å |
| 501 | Y | 81.4 | Confident | 76.7 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 173.8 | 168.4 | -95.2 | 0 | 0 | 0 | 111.1 | G497 Y498 L503 V504 V505 T591 M592 | G497-Y501 PolarHBondContact O-N 2.88Å; Y498-Y501 WeakPolarHBondContact O-CB 3.33Å; Y498-Y501 PolarHBondContact O-N 2.86Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; Y501-L503 PolarHBondContact O-N 3.5Å; Y501-V504 PolarHBondContact O-N 2.87Å; Y501-V505 HydrophobicContact CD2-CB 4.15Å; Y501-V505 HydrophobicContact CD2-CG2 3.69Å; Y501-V505 HydrophobicContact CE1-CB 4.49Å; Y501-V505 HydrophobicContact CE2-CB 3.79Å; Y501-V505 HydrophobicContact CE2-CG1 3.93Å; Y501-V505 HydrophobicContact CE2-CG2 3.59Å; Y501-V505 HydrophobicContact CG-CG2 4.48Å; Y501-V505 WeakPolarHBondContact O-CB 3.17Å; Y501-V505 PolarHBondContact O-N 3.41Å; Y501-T591 WeakPolarHBondContact CD2-OG1 3.33Å; Y501-T591 VanDerWaalsContact CE2-OG1 3.27Å; Y501-T591 WeakPolarHBondContact CE2-OG1 3.36Å; Y501-M592 HydrophobicContact CD2-CG 4.32Å |
| 502 | R | 79.4 | Confident | 75.5 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 176.6 | -70.3 | -166.2 | 70.3 | -154.4 | -5.8 | 112.1 | Y498 L500 V504 E506 T510 Y515 | Y498-R502 HydrophobicContact CE1-CG 4.15Å; Y498-R502 HydrophobicContact CE2-CG 4.21Å; Y498-R502 PolarHBondContact O-N 3.41Å; L500-R502 PolarHBondContact O-N 3.5Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.1Å; R502-E506 IonicContact CZ-OE2 3.75Å; R502-E506 VanDerWaalsContact CZ-OE2 3.23Å; R502-E506 IonicContact NE-OE1 3.23Å; R502-E506 PolarHBondContact NE-OE1 2.97Å; R502-E506 IonicContact NE-OE2 3.29Å; R502-E506 PolarHBondContact NE-OE2 2.81Å; R502-E506 IonicContact NH2-OE2 2.76Å; R502-E506 PolarHBondContact NH2-OE2 2.76Å; R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.91Å; R502-E506 VanDerWaalsContact O-N 3.15Å; R502-E506 VanDerWaalsContact O-O 3.11Å; R502-T510 PolarHBondContact NH2-O 2.97Å; R502-T510 PolarHBondContact NH2-OG1 2.85Å; R502-Y515 VanDerWaalsContact NH1-CE2 3.31Å |
| 503 | L | 76.1 | Confident | 74.4 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 178.6 | -177.7 | 67.5 | 0 | 0 | 0 | 113.1 | N499 L500 Y501 F508 | N499-L503 WeakPolarHBondContact O-CB 3.22Å; N499-L503 PolarHBondContact O-N 3.47Å; L500-L503 WeakPolarHBondContact O-CB 3.48Å; L500-L503 PolarHBondContact O-N 3.42Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; Y501-L503 PolarHBondContact O-N 3.5Å; L503-F508 HydrophobicContact CD1-CE1 4.44Å |
| 504 | V | 73.6 | Confident | 73.8 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -91.8 | -43.6 | -176.1 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | L500 Y501 R502 M592 I596 L612 | L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 3.46Å; L500-V504 VanDerWaalsContact O-N 3.09Å; Y501-V504 PolarHBondContact O-N 2.87Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.1Å; V504-M592 HydrophobicContact CB-CG 4.36Å; V504-M592 HydrophobicContact CG2-CE 3.91Å; V504-I596 HydrophobicContact CG1-CD1 4.2Å; V504-I596 HydrophobicContact CG1-CG1 3.86Å; V504-L612 HydrophobicContact CG2-CD2 3.49Å; V504-L612 VanDerWaalsContact CG2-CD2 3.49Å |
| 505 | V | 72.8 | Confident | 73.4 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -99.4 | -41.3 | -167.6 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | Y501 V507 M592 Q595 | Y501-V505 HydrophobicContact CD2-CB 4.15Å; Y501-V505 HydrophobicContact CD2-CG2 3.69Å; Y501-V505 HydrophobicContact CE1-CB 4.49Å; Y501-V505 HydrophobicContact CE2-CB 3.79Å; Y501-V505 HydrophobicContact CE2-CG1 3.93Å; Y501-V505 HydrophobicContact CE2-CG2 3.59Å; Y501-V505 HydrophobicContact CG-CG2 4.48Å; Y501-V505 WeakPolarHBondContact O-CB 3.17Å; Y501-V505 PolarHBondContact O-N 3.41Å; V505-V507 PolarHBondContact O-N 2.79Å; V505-V507 VanDerWaalsContact O-N 3.14Å; V505-M592 HydrophobicContact CG2-CG 4.43Å; V505-Q595 HydrophobicContact CG1-CG 4.17Å; V505-Q595 HydrophobicContact CG2-CB 4.27Å; V505-Q595 HydrophobicContact CG2-CG 3.94Å |
| 506 | E | 71.8 | Confident | 72.8 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -79 | 100.6 | 174.1 | -71.5 | -176.1 | -162.3 | 0 | 0 | 109.3 | R502 F508 T510 | R502-E506 IonicContact CZ-OE2 3.75Å; R502-E506 VanDerWaalsContact CZ-OE2 3.23Å; R502-E506 IonicContact NE-OE1 3.23Å; R502-E506 PolarHBondContact NE-OE1 2.97Å; R502-E506 IonicContact NE-OE2 3.29Å; R502-E506 PolarHBondContact NE-OE2 2.81Å; R502-E506 IonicContact NH2-OE2 2.76Å; R502-E506 PolarHBondContact NH2-OE2 2.76Å; R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.91Å; R502-E506 VanDerWaalsContact O-N 3.15Å; R502-E506 VanDerWaalsContact O-O 3.11Å; E506-F508 PolarHBondContact O-N 2.87Å; E506-F508 VanDerWaalsContact O-N 3.09Å; E506-T510 PolarHBondContact OE2-OG1 2.94Å; E506-T510 VanDerWaalsContact OE2-OG1 3.06Å |
| 507 | V | 59.7 | Low | 72.7 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 81% | 0.806 | 37% | 0.367 | S | S | * | . | trans | -53.5 | 117.9 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | V505 G509 | V505-V507 PolarHBondContact O-N 2.79Å; V505-V507 VanDerWaalsContact O-N 3.14Å; V507-G509 PolarHBondContact O-N 2.66Å | ||
| 508 | F | 49.9 | Very low | 72.9 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 72% | 0.719 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -25.1 | 103.5 | -177.9 | -59.3 | -86.3 | 0 | 0 | 0 | 114.4 | L503 E506 | L503-F508 HydrophobicContact CD1-CE1 4.44Å; E506-F508 PolarHBondContact O-N 2.87Å; E506-F508 VanDerWaalsContact O-N 3.09Å |
| 509 | G | 53.7 | Low | 73 | Confident | 71 Ų | 71 | 70 Ų | 70 | 73% | 0.732 | 38% | 0.38 | S | S | * | . | trans | -172.8 | -25.8 | 177 | 0 | 0 | 0 | 0 | 0 | 118.1 | V507 Y511 | V507-G509 PolarHBondContact O-N 2.66Å; G509-Y511 PolarHBondContact O-N 3.11Å | ||
| 510 | T | 58.4 | Low | 73.3 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | trans | -91.3 | 89.7 | -176.7 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | R502 E506 V512 | R502-T510 PolarHBondContact NH2-O 2.97Å; R502-T510 PolarHBondContact NH2-OG1 2.85Å; E506-T510 PolarHBondContact OE2-OG1 2.94Å; E506-T510 VanDerWaalsContact OE2-OG1 3.06Å; T510-V512 PolarHBondContact O-N 3.17Å; T510-V512 VanDerWaalsContact O-N 3.16Å | ||
| 511 | Y | 60.9 | Low | 73.8 | Confident | 179 Ų | 179 | 73.9 Ų | 73.9 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | trans | -68.9 | 105.8 | 166.4 | 179.1 | -97.2 | 0 | 0 | 0 | 109 | G509 P513 | G509-Y511 PolarHBondContact O-N 3.11Å; Y511-P513 HydrophobicContact CE1-CB 4.05Å; Y511-P513 WeakPolarHBondContact O-CD 3.24Å | ||
| 512 | V | 67.2 | Low | 74.3 | Confident | 48 Ų | 48 | 76 Ų | 76 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | trans | -92 | 112.5 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | T510 G514 Y515 | T510-V512 PolarHBondContact O-N 3.17Å; T510-V512 VanDerWaalsContact O-N 3.16Å; V512-G514 PolarHBondContact O-N 3.04Å; V512-Y515 HydrophobicContact CB-CD2 4.38Å; V512-Y515 WeakPolarHBondContact O-CB 3.41Å; V512-Y515 PolarHBondContact O-N 3.33Å | ||
| 513 | P | 70.1 | Confident | 74.9 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.9 | 175.7 | 25.5 | -32.9 | 0 | 0 | 0 | 109.7 | Y511 Y515 | Y511-P513 HydrophobicContact CE1-CB 4.05Å; Y511-P513 WeakPolarHBondContact O-CD 3.24Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.96Å |
| 514 | G | 75.7 | Confident | 75.8 | Confident | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 22.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V512 L516 L517 K518 | V512-G514 PolarHBondContact O-N 3.04Å; G514-L516 PolarHBondContact O-N 3.18Å; G514-L517 WeakPolarHBondContact O-CB 3.43Å; G514-L517 PolarHBondContact O-N 2.8Å; G514-K518 PolarHBondContact O-N 2.75Å |
| 515 | Y | 81.1 | Confident | 76.8 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 9% | 0.09 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -48.9 | -49.5 | -178 | 179.3 | -116.9 | 0 | 0 | 0 | 114 | Y441 Y498 N499 R502 V512 P513 L517 K518 L519 | Y441-Y515 HydrophobicContact CD1-CD1 4.31Å; Y498-Y515 HydrophobicContact CE1-CE2 4.42Å; N499-Y515 PolarHBondContact OD1-OH 2.83Å; R502-Y515 VanDerWaalsContact NH1-CE2 3.31Å; V512-Y515 HydrophobicContact CB-CD2 4.38Å; V512-Y515 WeakPolarHBondContact O-CB 3.41Å; V512-Y515 PolarHBondContact O-N 3.33Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.96Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.89Å; Y515-K518 PolarHBondContact O-N 2.71Å; Y515-L519 HydrophobicContact CD1-CD1 3.98Å; Y515-L519 HydrophobicContact CD2-CG 4.39Å; Y515-L519 HydrophobicContact CE1-CD1 3.42Å; Y515-L519 VanDerWaalsContact CE1-CD1 3.42Å; Y515-L519 HydrophobicContact CE1-CG 4.27Å; Y515-L519 HydrophobicContact CE2-CD1 4.02Å; Y515-L519 HydrophobicContact CE2-CD2 4.25Å; Y515-L519 HydrophobicContact CE2-CG 4.05Å; Y515-L519 VanDerWaalsContact CZ-CD1 3.45Å; Y515-L519 WeakPolarHBondContact O-CG 3.47Å; Y515-L519 PolarHBondContact O-N 3.46Å |
| 516 | L | 78.8 | Confident | 77.8 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 178.2 | -72.6 | 173.2 | 0 | 0 | 0 | 113.1 | Y441 K444 V445 G514 L519 S520 | Y441-L516 HydrophobicContact CD1-CD1 3.59Å; Y441-L516 HydrophobicContact CD1-CD2 3.89Å; Y441-L516 HydrophobicContact CD1-CG 3.51Å; Y441-L516 HydrophobicContact CE1-CD1 3.7Å; Y441-L516 HydrophobicContact CE1-CG 3.76Å; K444-L516 HydrophobicContact CB-CD1 4.34Å; K444-L516 HydrophobicContact CB-CD2 4.21Å; K444-L516 HydrophobicContact CD-CD1 3.43Å; K444-L516 VanDerWaalsContact CD-CD1 3.43Å; V445-L516 HydrophobicContact CG2-CD2 4.14Å; G514-L516 PolarHBondContact O-N 3.18Å; L516-L519 PolarHBondContact O-N 2.77Å; L516-S520 VanDerWaalsContact O-CB 3.32Å; L516-S520 WeakPolarHBondContact O-CB 3.11Å; L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 3.05Å; L516-S520 VanDerWaalsContact O-OG 3.12Å |
| 517 | L | 83.4 | Confident | 78.9 | Confident | 127 Ų | 127 | 71.7 Ų | 71.7 | 67% | 0.665 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 177.6 | -178.7 | 63 | 0 | 0 | 0 | 109.9 | G514 Y515 S520 A521 | G514-L517 WeakPolarHBondContact O-CB 3.43Å; G514-L517 PolarHBondContact O-N 2.8Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.89Å; L517-S520 WeakPolarHBondContact CA-OG 3.49Å; L517-S520 PolarHBondContact O-N 3.06Å; L517-S520 PolarHBondContact O-OG 2.01Å; L517-A521 WeakPolarHBondContact O-CB 3.46Å; L517-A521 PolarHBondContact O-N 3.19Å |
| 518 | K | 88.4 | Confident | 80.6 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | 175.1 | -66.9 | -179.7 | 179.7 | -177.1 | 0 | 112.1 | G514 Y515 S520 A521 M522 | G514-K518 PolarHBondContact O-N 2.75Å; Y515-K518 PolarHBondContact O-N 2.71Å; K518-S520 VanDerWaalsContact C-N 3.35Å; K518-S520 PolarHBondContact O-N 2.96Å; K518-A521 PolarHBondContact O-N 2.71Å; K518-M522 PolarHBondContact O-N 2.99Å |
| 519 | L | 88.3 | Confident | 82.7 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.9 | -72.8 | -176.4 | 0 | 0 | 0 | 111.9 | V445 W492 L495 Y515 L516 M522 G523 | V445-L519 HydrophobicContact CG2-CD1 3.76Å; W492-L519 HydrophobicContact CH2-CB 4.44Å; L495-L519 HydrophobicContact CB-CD2 4.46Å; L495-L519 HydrophobicContact CD1-CB 4.4Å; L495-L519 HydrophobicContact CD1-CD2 4.23Å; L495-L519 VanDerWaalsContact CD1-O 3.28Å; L495-L519 WeakPolarHBondContact CD1-O 3.33Å; L495-L519 HydrophobicContact CD2-CD2 3.73Å; L495-L519 HydrophobicContact CG-CD2 4.34Å; Y515-L519 HydrophobicContact CD1-CD1 3.98Å; Y515-L519 HydrophobicContact CD2-CG 4.39Å; Y515-L519 HydrophobicContact CE1-CD1 3.42Å; Y515-L519 VanDerWaalsContact CE1-CD1 3.42Å; Y515-L519 HydrophobicContact CE1-CG 4.27Å; Y515-L519 HydrophobicContact CE2-CD1 4.02Å; Y515-L519 HydrophobicContact CE2-CD2 4.25Å; Y515-L519 HydrophobicContact CE2-CG 4.05Å; Y515-L519 VanDerWaalsContact CZ-CD1 3.45Å; Y515-L519 WeakPolarHBondContact O-CG 3.47Å; Y515-L519 PolarHBondContact O-N 3.46Å; L516-L519 PolarHBondContact O-N 2.77Å; L519-M522 PolarHBondContact O-N 2.72Å; L519-G523 PolarHBondContact O-N 3.34Å |
| 520 | S | 88.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 178.3 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | L516 L517 K518 M522 G523 W524 | L516-S520 VanDerWaalsContact O-CB 3.32Å; L516-S520 WeakPolarHBondContact O-CB 3.11Å; L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 3.05Å; L516-S520 VanDerWaalsContact O-OG 3.12Å; L517-S520 WeakPolarHBondContact CA-OG 3.49Å; L517-S520 PolarHBondContact O-N 3.06Å; L517-S520 PolarHBondContact O-OG 2.01Å; K518-S520 VanDerWaalsContact C-N 3.35Å; K518-S520 PolarHBondContact O-N 2.96Å; S520-M522 VanDerWaalsContact C-N 3.3Å; S520-M522 PolarHBondContact O-N 3.1Å; S520-G523 PolarHBondContact O-N 3.13Å; S520-W524 WeakPolarHBondContact O-CB 3.48Å; S520-W524 PolarHBondContact O-N 2.85Å |
| 521 | A | 90.5 | Very high | 86.3 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 51% | 0.512 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -63 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L517 K518 G525 | L517-A521 WeakPolarHBondContact O-CB 3.46Å; L517-A521 PolarHBondContact O-N 3.19Å; K518-A521 PolarHBondContact O-N 2.71Å; A521-G525 WeakPolarHBondContact O-CA 3.4Å; A521-G525 PolarHBondContact O-N 3.26Å |
| 522 | M | 91.4 | Very high | 87.9 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -72.1 | -51.1 | 175.3 | -169.9 | 62.9 | 72.8 | 0 | 0 | 111.9 | L495 K518 L519 S520 W524 F526 | L495-M522 HydrophobicContact CD1-CB 4.4Å; L495-M522 HydrophobicContact CD2-CG 4.36Å; K518-M522 PolarHBondContact O-N 2.99Å; L519-M522 PolarHBondContact O-N 2.72Å; S520-M522 VanDerWaalsContact C-N 3.3Å; S520-M522 PolarHBondContact O-N 3.1Å; M522-W524 PolarHBondContact O-N 3.44Å; M522-F526 VanDerWaalsContact O-CB 3.22Å; M522-F526 WeakPolarHBondContact O-CB 3.14Å; M522-F526 PolarHBondContact O-N 2.92Å; M522-F526 HydrophobicContact SD-CB 4.22Å |
| 523 | G | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -67.4 | -32.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | L519 S520 P527 | L519-G523 PolarHBondContact O-N 3.34Å; S520-G523 PolarHBondContact O-N 3.13Å; G523-P527 WeakPolarHBondContact O-CD 3.27Å; G523-P527 WeakPolarHBondContact O-CG 3.48Å |
| 524 | W | 95.2 | Very high | 90.1 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 19% | 0.193 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -102.6 | -41.4 | 177.2 | -62.2 | 102.1 | 0 | 0 | 0 | 112.6 | L451 L455 F484 T488 W492 S520 M522 P527 I528 | L451-W524 HydrophobicContact CD2-CH2 4.07Å; L451-W524 HydrophobicContact CD2-CZ2 3.97Å; L451-W524 HydrophobicContact CG-CH2 4.11Å; L451-W524 HydrophobicContact CG-CZ2 4.34Å; L455-W524 HydrophobicContact CD1-CH2 3.72Å; L455-W524 HydrophobicContact CD1-CZ3 3.68Å; F484-W524 AromaticContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CZ3 4.17Å; T488-W524 HydrophobicContact CG2-CD2 4Å; T488-W524 HydrophobicContact CG2-CE3 3.42Å; T488-W524 VanDerWaalsContact CG2-CE3 3.42Å; T488-W524 HydrophobicContact CG2-CH2 3.98Å; T488-W524 HydrophobicContact CG2-CZ2 4.49Å; T488-W524 HydrophobicContact CG2-CZ3 3.44Å; T488-W524 VanDerWaalsContact CG2-CZ3 3.44Å; W492-W524 AromaticContact CE2-CD1 3.98Å; W492-W524 AromaticContact CE2-NE1 3.56Å; W492-W524 AromaticContact CZ2-CD1 3.6Å; W492-W524 AromaticContact CZ2-NE1 3.3Å; W492-W524 VanDerWaalsContact CZ2-NE1 3.3Å; W492-W524 AromaticContact NE1-CD1 3.72Å; W492-W524 AromaticContact NE1-CD2 3.83Å; W492-W524 AromaticContact NE1-CE2 3.37Å; W492-W524 AromaticContact NE1-CZ2 3.79Å; W492-W524 AromaticContact NE1-NE1 3.32Å; S520-W524 WeakPolarHBondContact O-CB 3.48Å; S520-W524 PolarHBondContact O-N 2.85Å; M522-W524 PolarHBondContact O-N 3.44Å; W524-P527 WeakPolarHBondContact O-CD 3.16Å; W524-I528 WeakPolarHBondContact O-CD1 3.07Å; W524-I528 VanDerWaalsContact O-CG1 3.25Å; W524-I528 WeakPolarHBondContact O-CG1 3.27Å; W524-I528 PolarHBondContact O-N 3.31Å |
| 525 | G | 94 | Very high | 90.8 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -71.9 | -37.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A521 I528 F529 | A521-G525 WeakPolarHBondContact O-CA 3.4Å; A521-G525 PolarHBondContact O-N 3.26Å; G525-I528 PolarHBondContact O-N 2.96Å; G525-F529 WeakPolarHBondContact O-CB 3.04Å; G525-F529 PolarHBondContact O-N 3.49Å |
| 526 | F | 93.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 60 Ų | 60 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 177.6 | 176.8 | -102.7 | 0 | 0 | 0 | 112.7 | M522 I528 F529 L530 L577 | M522-F526 VanDerWaalsContact O-CB 3.22Å; M522-F526 WeakPolarHBondContact O-CB 3.14Å; M522-F526 PolarHBondContact O-N 2.92Å; M522-F526 HydrophobicContact SD-CB 4.22Å; F526-I528 PolarHBondContact O-N 3.04Å; F526-F529 PolarHBondContact O-N 3.42Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CE1-CD1 3.48Å; F526-L530 VanDerWaalsContact CE1-CD1 3.48Å; F526-L530 HydrophobicContact CE1-CG 4.46Å; F526-L530 HydrophobicContact CE2-CD1 4.11Å; F526-L530 HydrophobicContact CE2-CG 4.36Å; F526-L530 HydrophobicContact CZ-CD1 3.53Å; F526-L530 HydrophobicContact CZ-CG 4.25Å; F526-L530 PolarHBondContact O-N 2.88Å; F526-L530 VanDerWaalsContact O-N 3.1Å; F526-L577 HydrophobicContact CE1-CD1 4Å; F526-L577 HydrophobicContact CE1-CD2 3.6Å; F526-L577 HydrophobicContact CE1-CG 4.47Å; F526-L577 HydrophobicContact CZ-CD2 3.74Å |
| 527 | P | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 169.5 | -28.1 | 34 | 0 | 0 | 0 | 114.2 | F484 L487 T488 S491 G523 W524 F529 L530 V531 | F484-P527 HydrophobicContact CD2-CB 3.95Å; F484-P527 HydrophobicContact CE2-CB 4.03Å; L487-P527 HydrophobicContact CB-CB 3.87Å; L487-P527 HydrophobicContact CB-CG 4.26Å; T488-P527 WeakPolarHBondContact OG1-CB 2.95Å; S491-P527 WeakPolarHBondContact OG-CG 3.43Å; G523-P527 WeakPolarHBondContact O-CD 3.27Å; G523-P527 WeakPolarHBondContact O-CG 3.48Å; W524-P527 WeakPolarHBondContact O-CD 3.16Å; P527-F529 VanDerWaalsContact C-N 3.3Å; P527-F529 PolarHBondContact O-N 2.81Å; P527-L530 PolarHBondContact O-N 3.31Å; P527-V531 WeakPolarHBondContact O-CG2 3.33Å; P527-V531 PolarHBondContact O-N 2.98Å |
| 528 | I | 95.1 | Very high | 91.4 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 178.2 | -70.4 | 167.7 | 0 | 0 | 0 | 110.1 | F484 W524 G525 F526 L530 T532 | F484-I528 HydrophobicContact CD2-CG1 4.09Å; F484-I528 HydrophobicContact CE2-CD1 4.27Å; F484-I528 HydrophobicContact CE2-CG1 3.48Å; F484-I528 VanDerWaalsContact CE2-CG1 3.48Å; F484-I528 HydrophobicContact CZ-CG1 4.14Å; W524-I528 WeakPolarHBondContact O-CD1 3.07Å; W524-I528 VanDerWaalsContact O-CG1 3.25Å; W524-I528 WeakPolarHBondContact O-CG1 3.27Å; W524-I528 PolarHBondContact O-N 3.31Å; G525-I528 PolarHBondContact O-N 2.96Å; F526-I528 PolarHBondContact O-N 3.04Å; I528-L530 PolarHBondContact O-N 2.91Å; I528-T532 VanDerWaalsContact O-CB 3.24Å; I528-T532 WeakPolarHBondContact O-CB 3.39Å; I528-T532 PolarHBondContact O-N 3.29Å; I528-T532 PolarHBondContact O-OG1 3.45Å |
| 529 | F | 95.3 | Very high | 91.1 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 55% | 0.553 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.2 | -48.4 | 178.9 | 172 | -102.5 | 0 | 0 | 0 | 111.9 | G525 F526 P527 T532 L533 | G525-F529 WeakPolarHBondContact O-CB 3.04Å; G525-F529 PolarHBondContact O-N 3.49Å; F526-F529 PolarHBondContact O-N 3.42Å; P527-F529 VanDerWaalsContact C-N 3.3Å; P527-F529 PolarHBondContact O-N 2.81Å; F529-T532 PolarHBondContact O-N 3.36Å; F529-L533 HydrophobicContact CZ-CD1 4.44Å; F529-L533 WeakPolarHBondContact O-CB 3.08Å; F529-L533 PolarHBondContact O-N 3.42Å |
| 530 | L | 93.9 | Very high | 90.7 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | -178.4 | -70.5 | 177.2 | 0 | 0 | 0 | 113 | L487 F526 P527 I528 T532 L533 V534 L577 | L487-L530 HydrophobicContact CD1-CB 4.12Å; L487-L530 HydrophobicContact CD1-CD1 4.24Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CE1-CD1 3.48Å; F526-L530 VanDerWaalsContact CE1-CD1 3.48Å; F526-L530 HydrophobicContact CE1-CG 4.46Å; F526-L530 HydrophobicContact CE2-CD1 4.11Å; F526-L530 HydrophobicContact CE2-CG 4.36Å; F526-L530 HydrophobicContact CZ-CD1 3.53Å; F526-L530 HydrophobicContact CZ-CG 4.25Å; F526-L530 PolarHBondContact O-N 2.88Å; F526-L530 VanDerWaalsContact O-N 3.1Å; P527-L530 PolarHBondContact O-N 3.31Å; I528-L530 PolarHBondContact O-N 2.91Å; L530-T532 VanDerWaalsContact C-N 3.33Å; L530-T532 PolarHBondContact O-N 3.02Å; L530-L533 WeakPolarHBondContact O-CB 3.31Å; L530-L533 PolarHBondContact O-N 2.86Å; L530-V534 WeakPolarHBondContact O-CG2 3.37Å; L530-V534 PolarHBondContact O-N 2.84Å; L530-L577 HydrophobicContact CD1-CD1 3.39Å; L530-L577 HydrophobicContact CD1-CD2 4.27Å; L530-L577 HydrophobicContact CD1-CG 4.25Å |
| 531 | V | 94.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | I480 F484 L487 P527 L533 V534 A535 | I480-V531 HydrophobicContact CG2-CG1 3.72Å; F484-V531 HydrophobicContact CB-CG2 4.08Å; L487-V531 HydrophobicContact CD1-CG2 4.09Å; P527-V531 WeakPolarHBondContact O-CG2 3.33Å; P527-V531 PolarHBondContact O-N 2.98Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 2.84Å; V531-V534 PolarHBondContact O-N 3.01Å; V531-A535 WeakPolarHBondContact O-CB 3.4Å; V531-A535 PolarHBondContact O-N 2.97Å |
| 532 | T | 93.1 | Very high | 90 | Very high | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | I528 F529 L530 V534 A535 L536 | I528-T532 VanDerWaalsContact O-CB 3.24Å; I528-T532 WeakPolarHBondContact O-CB 3.39Å; I528-T532 PolarHBondContact O-N 3.29Å; I528-T532 PolarHBondContact O-OG1 3.45Å; F529-T532 PolarHBondContact O-N 3.36Å; L530-T532 VanDerWaalsContact C-N 3.33Å; L530-T532 PolarHBondContact O-N 3.02Å; T532-V534 PolarHBondContact O-N 3.4Å; T532-A535 PolarHBondContact O-N 2.85Å; T532-L536 HydrophobicContact CG2-CD1 3.89Å; T532-L536 HydrophobicContact CG2-CG 4.15Å; T532-L536 VanDerWaalsContact O-CB 3.29Å; T532-L536 WeakPolarHBondContact O-CB 3.47Å; T532-L536 WeakPolarHBondContact O-CG 3.49Å; T532-L536 PolarHBondContact O-N 2.79Å |
| 533 | L | 93.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 52 Ų | 52 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 176.1 | -169.8 | 92.3 | 0 | 0 | 0 | 111.3 | F529 L530 V531 A535 L536 V537 | F529-L533 HydrophobicContact CZ-CD1 4.44Å; F529-L533 WeakPolarHBondContact O-CB 3.08Å; F529-L533 PolarHBondContact O-N 3.42Å; L530-L533 WeakPolarHBondContact O-CB 3.31Å; L530-L533 PolarHBondContact O-N 2.86Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 2.84Å; L533-A535 PolarHBondContact O-N 2.87Å; L533-L536 PolarHBondContact O-N 2.87Å; L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.25Å; L533-V537 PolarHBondContact O-N 2.9Å |
| 534 | V | 91 | Very high | 88.7 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 179.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L530 V531 T532 V537 D538 Y542 V569 T573 | L530-V534 WeakPolarHBondContact O-CG2 3.37Å; L530-V534 PolarHBondContact O-N 2.84Å; V531-V534 PolarHBondContact O-N 3.01Å; T532-V534 PolarHBondContact O-N 3.4Å; V534-V537 PolarHBondContact O-N 2.82Å; V534-D538 PolarHBondContact O-N 2.76Å; V534-D538 VanDerWaalsContact O-N 3.16Å; V534-Y542 WeakPolarHBondContact CB-OH 3.32Å; V534-Y542 HydrophobicContact CG1-CE2 3.87Å; V534-Y542 WeakPolarHBondContact CG1-OH 3.24Å; V534-V569 HydrophobicContact CG1-CG1 3.66Å; V534-V569 HydrophobicContact CG2-CG1 4.26Å; V534-T573 HydrophobicContact CG2-CG2 3.85Å |
| 535 | A | 89.3 | Confident | 87.5 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V531 T532 L533 V539 Y542 | V531-A535 WeakPolarHBondContact O-CB 3.4Å; V531-A535 PolarHBondContact O-N 2.97Å; T532-A535 PolarHBondContact O-N 2.85Å; L533-A535 PolarHBondContact O-N 2.87Å; A535-V539 PolarHBondContact O-N 2.87Å; A535-Y542 HydrophobicContact CB-CE2 4.13Å |
| 536 | L | 89.6 | Confident | 85.9 | Confident | 140 Ų | 140 | 58.9 Ų | 58.9 | 73% | 0.733 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.4 | -33.8 | 175.2 | -77.2 | 176.6 | 0 | 0 | 0 | 112.7 | T532 L533 | T532-L536 HydrophobicContact CG2-CD1 3.89Å; T532-L536 HydrophobicContact CG2-CG 4.15Å; T532-L536 VanDerWaalsContact O-CB 3.29Å; T532-L536 WeakPolarHBondContact O-CB 3.47Å; T532-L536 WeakPolarHBondContact O-CG 3.49Å; T532-L536 PolarHBondContact O-N 2.79Å; L533-L536 PolarHBondContact O-N 2.87Å |
| 537 | V | 86.3 | Confident | 84 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 70% | 0.703 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.4 | -51.2 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | L533 V534 | L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.25Å; L533-V537 PolarHBondContact O-N 2.9Å; V534-V537 PolarHBondContact O-N 2.82Å |
| 538 | D | 80.7 | Confident | 81.6 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | trans | -159.8 | 120.1 | 171.4 | -169.9 | -7.5 | 0 | 0 | 0 | 110 | V534 D540 N541 | V534-D538 PolarHBondContact O-N 2.76Å; V534-D538 VanDerWaalsContact O-N 3.16Å; D538-D540 VanDerWaalsContact C-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CA 2.98Å; D538-D540 VanDerWaalsContact OD1-CB 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 2.94Å; D538-D540 PolarHBondContact OD1-N 2.99Å; D538-N541 VanDerWaalsContact O-CB 3.31Å; D538-N541 WeakPolarHBondContact O-CB 3.47Å; D538-N541 PolarHBondContact O-N 2.91Å; D538-N541 PolarHBondContact O-ND2 3.05Å; D538-N541 VanDerWaalsContact O-ND2 3.09Å | ||
| 539 | V | 82.6 | Confident | 79 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -74 | -21.7 | 176.7 | 76.2 | 0 | 0 | 0 | 0 | 111.7 | A535 N541 Y542 | A535-V539 PolarHBondContact O-N 2.87Å; V539-N541 PolarHBondContact O-N 3Å; V539-Y542 PolarHBondContact O-N 2.8Å; V539-Y542 VanDerWaalsContact O-N 3.12Å |
| 540 | D | 79.3 | Confident | 76.5 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -73.1 | -9 | 177.6 | -65.8 | -37.5 | 0 | 0 | 0 | 112.8 | R476 D538 Y542 | R476-D540 IonicContact CZ-OD1 3.96Å; R476-D540 IonicContact NE-OD1 3.49Å; R476-D540 IonicContact NH2-OD1 3.32Å; R476-D540 PolarHBondContact NH2-OD1 3.27Å; D538-D540 VanDerWaalsContact C-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CA 2.98Å; D538-D540 VanDerWaalsContact OD1-CB 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 2.94Å; D538-D540 PolarHBondContact OD1-N 2.99Å; D540-Y542 PolarHBondContact O-N 3.08Å |
| 541 | N | 81.3 | Confident | 73.6 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -58.4 | -22.2 | 164.8 | -70.8 | -26.3 | 0 | 0 | 0 | 112.3 | D538 V539 I564 R565 | D538-N541 VanDerWaalsContact O-CB 3.31Å; D538-N541 WeakPolarHBondContact O-CB 3.47Å; D538-N541 PolarHBondContact O-N 2.91Å; D538-N541 PolarHBondContact O-ND2 3.05Å; D538-N541 VanDerWaalsContact O-ND2 3.09Å; V539-N541 PolarHBondContact O-N 3Å; N541-I564 CarbonylContact O-C 3.08Å; N541-I564 WeakPolarHBondContact O-CA 3.3Å; N541-R565 PolarHBondContact O-N 3.21Å |
| 542 | Y | 84.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.8 | 178.1 | -61.6 | -77.6 | 0 | 0 | 0 | 111.1 | R476 A479 I480 H483 V534 A535 V539 D540 I564 | R476-Y542 WeakPolarHBondContact CG-O 3.26Å; A479-Y542 HydrophobicContact CB-CD1 3.95Å; A479-Y542 HydrophobicContact CB-CG 4.47Å; I480-Y542 HydrophobicContact CD1-CD2 4.22Å; I480-Y542 HydrophobicContact CG1-CD1 4.01Å; I480-Y542 HydrophobicContact CG1-CD2 3.73Å; I480-Y542 HydrophobicContact CG1-CE1 4.19Å; I480-Y542 HydrophobicContact CG1-CE2 3.91Å; I480-Y542 HydrophobicContact CG1-CG 3.78Å; H483-Y542 HydrophobicContact CB-CE1 4.21Å; H483-Y542 PolarHBondContact CE1-OH 2.96Å; H483-Y542 AromaticContact ND1-CE1 3.76Å; H483-Y542 AromaticContact ND1-CZ 3.78Å; H483-Y542 PolarHBondContact ND1-OH 3.48Å; V534-Y542 WeakPolarHBondContact CB-OH 3.32Å; V534-Y542 HydrophobicContact CG1-CE2 3.87Å; V534-Y542 WeakPolarHBondContact CG1-OH 3.24Å; A535-Y542 HydrophobicContact CB-CE2 4.13Å; V539-Y542 PolarHBondContact O-N 2.8Å; V539-Y542 VanDerWaalsContact O-N 3.12Å; D540-Y542 PolarHBondContact O-N 3.08Å; Y542-I564 HydrophobicContact CD1-CG1 3.97Å; Y542-I564 HydrophobicContact CE1-CD1 4.34Å; Y542-I564 HydrophobicContact CE1-CG1 3.64Å |
| 543 | G | 80.9 | Confident | 68.3 | Low | 3 Ų | 3 | 73.1 Ų | 73.1 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -172.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W563 | G543-W563 PolarHBondContact N-O 3.49Å; G543-W563 PolarHBondContact O-N 3.29Å |
| 544 | P | 75.2 | Confident | 65.7 | Low | 71 Ų | 71 | 78.3 Ų | 78.3 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.1 | 177.5 | 29 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 545 | I | 68.9 | Low | 63.1 | Low | 47 Ų | 47 | 79.9 Ų | 79.9 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.2 | 168.7 | -52.4 | -173.6 | 0 | 0 | 0 | 107.6 | S560 M561 W563 I564 | I545-S560 WeakPolarHBondContact O-CA 3.45Å; I545-M561 PolarHBondContact N-O 2.97Å; I545-M561 PolarHBondContact O-N 3.28Å; I545-W563 HydrophobicContact CD1-CB 3.59Å; I545-W563 HydrophobicContact CD1-CG 4.03Å; I545-W563 HydrophobicContact CG1-CB 4.15Å; I545-I564 VanDerWaalsContact CD1-O 3.23Å; I545-I564 WeakPolarHBondContact CD1-O 3.46Å |
| 546 | I | 61.3 | Low | 60.5 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 56% | 0.559 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112.9 | 174.6 | -56.1 | 171.1 | 0 | 0 | 0 | 107.3 | A548 Y558 | I546-A548 PolarHBondContact O-N 3.08Å; I546-Y558 HydrophobicContact CG2-CD1 4.01Å; I546-Y558 HydrophobicContact CG2-CG 4.43Å |
| 547 | L | 54.1 | Low | 58 | Low | 67 Ų | 67 | 81.4 Ų | 81.4 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | trans | -81.4 | 104.7 | 165.6 | -66 | 159.9 | 0 | 0 | 0 | 106.4 | V549 P559 M561 | L547-V549 HydrophobicContact CB-CG2 4.46Å; L547-V549 PolarHBondContact O-N 2.91Å; L547-P559 HydrophobicContact CB-CG 4.32Å; L547-P559 WeakPolarHBondContact CB-O 3.28Å; L547-P559 PolarHBondContact N-O 2.92Å; L547-M561 HydrophobicContact CD1-CE 3.98Å; L547-M561 HydrophobicContact CD1-CG 3.96Å; L547-M561 HydrophobicContact CD1-SD 3.84Å; L547-M561 HydrophobicContact CD2-CE 3.87Å; L547-M561 HydrophobicContact CG-CE 4.08Å; L547-M561 HydrophobicContact CG-CG 4.43Å | ||
| 548 | A | 43.1 | Very low | 56 | Low | 63 Ų | 63 | 81.1 Ų | 81.1 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | trans | -64.6 | 97.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K400 I546 | K400-A548 PolarHBondContact NZ-O 3.23Å; I546-A548 PolarHBondContact O-N 3.08Å | ||
| 549 | V | 41.5 | Very low | 54.7 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | trans | -123 | 90.7 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | A397 K400 L547 P559 | A397-V549 HydrophobicContact CB-CG1 3.93Å; K400-V549 HydrophobicContact CB-CG1 4.43Å; K400-V549 HydrophobicContact CB-CG2 4.02Å; K400-V549 HydrophobicContact CD-CG2 3.81Å; L547-V549 HydrophobicContact CB-CG2 4.46Å; L547-V549 PolarHBondContact O-N 2.91Å; V549-P559 HydrophobicContact CB-CG 4.1Å; V549-P559 HydrophobicContact CG2-CG 3.98Å | ||
| 550 | H | 43.1 | Very low | 54 | Low | 110 Ų | 110 | 77.3 Ų | 77.3 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | trans | 65.5 | 141 | 168.9 | -88 | 18.7 | 0 | 0 | 0 | 120.8 | A397 | A397-H550 HydrophobicContact CB-CB 4.46Å; A397-H550 WeakPolarHBondContact CB-CE1 3.35Å; A397-H550 WeakPolarHBondContact CB-ND1 3.29Å | ||
| 551 | R | 32.9 | Very low | 54.1 | Low | 214 Ų | 214 | 76 Ų | 76 | 81% | 0.808 | 41% | 0.409 | S | S | * | . | trans | -94.6 | 107.3 | 149 | -76 | -178.9 | 173.2 | 89.5 | -1.3 | 106.7 | ||||
| 552 | T | 34.3 | Very low | 54.2 | Low | 73 Ų | 73 | 75 Ų | 75 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | trans | -98.5 | 149.2 | 157.6 | 50.8 | 0 | 0 | 0 | 0 | 108.7 | E554 | T552-E554 PolarHBondContact O-N 3.35Š| ||
| 553 | P | 41.9 | Very low | 54.4 | Low | 139 Ų | 139 | 76.9 Ų | 76.9 | 90% | 0.903 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.3 | -172.8 | -20.4 | 32 | 0 | 0 | 0 | 115.7 | ||
| 554 | E | 39 | Very low | 54.6 | Low | 197 Ų | 197 | 76.9 Ų | 76.9 | 92% | 0.921 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 2.8 | -167.6 | -64 | -174.8 | 175.4 | 0 | 0 | 115.1 | T552 | T552-E554 PolarHBondContact O-N 3.35Š|
| 555 | G | 34.5 | Very low | 54.6 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | trans | 158.4 | 113.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I557 | G555-I557 PolarHBondContact O-N 3.28Š| ||
| 556 | V | 35.9 | Very low | 54.9 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | -85.8 | 99.3 | -175.9 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | Y558 | V556-Y558 HydrophobicContact CB-CE2 4.11Å; V556-Y558 HydrophobicContact CG1-CD1 4.14Å; V556-Y558 HydrophobicContact CG1-CD2 3.68Å; V556-Y558 HydrophobicContact CG1-CE1 3.75Å; V556-Y558 HydrophobicContact CG1-CE2 3.24Å; V556-Y558 HydrophobicContact CG1-CG 4.11Å | ||
| 557 | I | 36.9 | Very low | 55.5 | Low | 134 Ų | 134 | 81 Ų | 81 | 69% | 0.687 | 43% | 0.426 | S | S | * | . | trans | -93.9 | 99.2 | 166.6 | -53.9 | 174.6 | 0 | 0 | 0 | 106.5 | G555 P559 | G555-I557 PolarHBondContact O-N 3.28Å; I557-P559 WeakPolarHBondContact O-CD 3.37Å | ||
| 558 | Y | 44 | Very low | 56.6 | Low | 110 Ų | 110 | 83.1 Ų | 83.1 | 43% | 0.431 | 44% | 0.436 | S | S | . | . | trans | -74.6 | 114 | 165.9 | -61.8 | -79.1 | 0 | 0 | 0 | 107.6 | I546 V556 S560 | I546-Y558 HydrophobicContact CG2-CD1 4.01Å; I546-Y558 HydrophobicContact CG2-CG 4.43Å; V556-Y558 HydrophobicContact CB-CE2 4.11Å; V556-Y558 HydrophobicContact CG1-CD1 4.14Å; V556-Y558 HydrophobicContact CG1-CD2 3.68Å; V556-Y558 HydrophobicContact CG1-CE1 3.75Å; V556-Y558 HydrophobicContact CG1-CE2 3.24Å; V556-Y558 HydrophobicContact CG1-CG 4.11Å; Y558-S560 VanDerWaalsContact C-N 3.26Å; Y558-S560 PolarHBondContact O-N 3.39Å | ||
| 559 | P | 53.4 | Low | 58.4 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | trans | -69.2 | 93.3 | 167.2 | 27.4 | -30 | 0 | 0 | 0 | 107.6 | L547 V549 I557 | L547-P559 HydrophobicContact CB-CG 4.32Å; L547-P559 WeakPolarHBondContact CB-O 3.28Å; L547-P559 PolarHBondContact N-O 2.92Å; V549-P559 HydrophobicContact CB-CG 4.1Å; V549-P559 HydrophobicContact CG2-CG 3.98Å; I557-P559 WeakPolarHBondContact O-CD 3.37Å | ||
| 560 | S | 67.9 | Low | 60.4 | Low | 20 Ų | 20 | 81.4 Ų | 81.4 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 133.1 | 166.4 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | A467 I545 Y558 | A467-S560 WeakPolarHBondContact CB-O 3.49Å; A467-S560 VanDerWaalsContact CB-OG 3.28Å; A467-S560 WeakPolarHBondContact CB-OG 3.26Å; I545-S560 WeakPolarHBondContact O-CA 3.45Å; Y558-S560 VanDerWaalsContact C-N 3.26Å; Y558-S560 PolarHBondContact O-N 3.39Å |
| 561 | M | 80.9 | Confident | 62.2 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.8 | 169.5 | 66.6 | 172.8 | 175.6 | 0 | 0 | 110.1 | I545 L547 W563 | I545-M561 PolarHBondContact N-O 2.97Å; I545-M561 PolarHBondContact O-N 3.28Å; L547-M561 HydrophobicContact CD1-CE 3.98Å; L547-M561 HydrophobicContact CD1-CG 3.96Å; L547-M561 HydrophobicContact CD1-SD 3.84Å; L547-M561 HydrophobicContact CD2-CE 3.87Å; L547-M561 HydrophobicContact CG-CE 4.08Å; L547-M561 HydrophobicContact CG-CG 4.43Å; M561-W563 HydrophobicContact CE-CB 4.46Å |
| 562 | C | 85.2 | Confident | 64.8 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.2 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | A467 C475 A479 | A467-C562 VanDerWaalsContact CB-SG 3.6Å; C475-C562 WeakPolarHBondContact CA-SG 3.49Å; C475-C562 HydrophobicContact CB-CB 4.12Å; C475-C562 WeakPolarHBondContact CB-SG 3.45Å; C475-C562 WeakPolarHBondContact O-CB 3.33Å; C475-C562 VanDerWaalsContact SG-CA 3.52Å; C475-C562 WeakPolarHBondContact SG-CB 3.18Å; C475-C562 CovalentContact SG-SG 2.03Å; C475-C562 PolarHBondContact SG-SG 3.19Å; A479-C562 HydrophobicContact CB-CB 4.15Å |
| 563 | W | 88.6 | Confident | 67.4 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -174.7 | -175.5 | -170.8 | -112.1 | 0 | 0 | 0 | 112.7 | L482 H483 L486 G543 I545 M561 R565 N574 | L482-W563 HydrophobicContact CB-CE3 4.33Å; L482-W563 HydrophobicContact CB-CZ3 4.05Å; L482-W563 HydrophobicContact CD2-CE3 3.6Å; L482-W563 HydrophobicContact CD2-CH2 3.86Å; L482-W563 HydrophobicContact CD2-CZ3 3.08Å; L482-W563 HydrophobicContact CG-CE3 4.35Å; L482-W563 HydrophobicContact CG-CZ3 4.06Å; H483-W563 HydrophobicContact CB-CH2 4.5Å; H483-W563 HydrophobicContact CB-CZ3 4.22Å; L486-W563 HydrophobicContact CD2-CH2 3.77Å; L486-W563 HydrophobicContact CD2-CZ2 4.33Å; G543-W563 PolarHBondContact N-O 3.49Å; G543-W563 PolarHBondContact O-N 3.29Å; I545-W563 HydrophobicContact CD1-CB 3.59Å; I545-W563 HydrophobicContact CD1-CG 4.03Å; I545-W563 HydrophobicContact CG1-CB 4.15Å; M561-W563 HydrophobicContact CE-CB 4.46Å; W563-R565 PolarHBondContact O-N 2.05Å; W563-N574 WeakPolarHBondContact CZ2-ND2 3.42Å |
| 564 | I | 85.1 | Confident | 69.6 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 118.5 | 178.2 | -55.9 | 166.9 | 0 | 0 | 0 | 109.3 | N541 Y542 I545 D566 V569 | N541-I564 CarbonylContact O-C 3.08Å; N541-I564 WeakPolarHBondContact O-CA 3.3Å; Y542-I564 HydrophobicContact CD1-CG1 3.97Å; Y542-I564 HydrophobicContact CE1-CD1 4.34Å; Y542-I564 HydrophobicContact CE1-CG1 3.64Å; I545-I564 VanDerWaalsContact CD1-O 3.23Å; I545-I564 WeakPolarHBondContact CD1-O 3.46Å; I564-D566 WeakPolarHBondContact CG2-O 3.33Å; I564-V569 HydrophobicContact CG2-CB 4.17Å; I564-V569 HydrophobicContact CG2-CG1 4.09Å |
| 565 | R | 74.2 | Confident | 71.8 | Confident | 160 Ų | 160 | 63 Ų | 63 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -70.8 | -39.4 | -179.2 | -64.8 | 178.8 | 69.3 | -177.9 | 1.6 | 112.7 | N541 W563 S567 | N541-R565 PolarHBondContact O-N 3.21Å; W563-R565 PolarHBondContact O-N 2.05Å; R565-S567 PolarHBondContact O-N 2.91Å |
| 566 | D | 75.4 | Confident | 74.5 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | trans | -78 | 113.5 | 178.6 | -171.2 | -17.4 | 0 | 0 | 0 | 110.3 | I564 L568 V569 S570 | I564-D566 WeakPolarHBondContact CG2-O 3.33Å; D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 WeakPolarHBondContact OD1-CB 3.44Å; D566-L568 PolarHBondContact OD1-N 2.79Å; D566-V569 HydrophobicContact CB-CB 4.04Å; D566-V569 HydrophobicContact CB-CG2 3.85Å; D566-V569 PolarHBondContact O-N 3.48Å; D566-V569 WeakPolarHBondContact OD2-CG2 3.2Å; D566-S570 WeakPolarHBondContact O-CB 3.42Å; D566-S570 PolarHBondContact O-N 3.08Å | ||
| 567 | S | 74 | Confident | 77 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -33 | 178.8 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | R565 Y571 | R565-S567 PolarHBondContact O-N 2.91Å; S567-Y571 VanDerWaalsContact O-CB 3.26Å; S567-Y571 WeakPolarHBondContact O-CB 3.47Å; S567-Y571 PolarHBondContact O-N 2.79Å |
| 568 | L | 76.2 | Confident | 79.5 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 58% | 0.576 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.1 | -45.5 | 178 | -69.2 | 173.2 | 0 | 0 | 0 | 111.3 | D566 S570 Y571 I572 | D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 WeakPolarHBondContact OD1-CB 3.44Å; D566-L568 PolarHBondContact OD1-N 2.79Å; L568-S570 VanDerWaalsContact C-N 3.34Å; L568-Y571 PolarHBondContact O-N 3.15Å; L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.29Å |
| 569 | V | 81.6 | Confident | 81.6 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | V534 I564 D566 Y571 I572 T573 | V534-V569 HydrophobicContact CG1-CG1 3.66Å; V534-V569 HydrophobicContact CG2-CG1 4.26Å; I564-V569 HydrophobicContact CG2-CB 4.17Å; I564-V569 HydrophobicContact CG2-CG1 4.09Å; D566-V569 HydrophobicContact CB-CB 4.04Å; D566-V569 HydrophobicContact CB-CG2 3.85Å; D566-V569 PolarHBondContact O-N 3.48Å; D566-V569 WeakPolarHBondContact OD2-CG2 3.2Å; V569-Y571 VanDerWaalsContact C-N 3.33Å; V569-Y571 PolarHBondContact O-N 2.92Å; V569-I572 PolarHBondContact O-N 3.48Å; V569-T573 HydrophobicContact CG1-CG2 4.25Å; V569-T573 WeakPolarHBondContact O-CG2 3.04Å; V569-T573 PolarHBondContact O-N 2.01Å; V569-T573 PolarHBondContact O-OG1 3.36Å |
| 570 | S | 82.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | D566 L568 N574 | D566-S570 WeakPolarHBondContact O-CB 3.42Å; D566-S570 PolarHBondContact O-N 3.08Å; L568-S570 VanDerWaalsContact C-N 3.34Å; S570-N574 WeakPolarHBondContact O-CB 3.39Å; S570-N574 PolarHBondContact O-N 2.89Å; S570-N574 PolarHBondContact O-ND2 3.44Å; S570-N574 PolarHBondContact OG-ND2 3.16Å |
| 571 | Y | 82.4 | Confident | 84.4 | Confident | 153 Ų | 153 | 55.3 Ų | 55.3 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -65.2 | -47.8 | 178.9 | -171.7 | -89.7 | 0 | 0 | 0 | 111.8 | S567 L568 V569 L575 G576 | S567-Y571 VanDerWaalsContact O-CB 3.26Å; S567-Y571 WeakPolarHBondContact O-CB 3.47Å; S567-Y571 PolarHBondContact O-N 2.79Å; L568-Y571 PolarHBondContact O-N 3.15Å; V569-Y571 VanDerWaalsContact C-N 3.33Å; V569-Y571 PolarHBondContact O-N 2.92Å; Y571-L575 HydrophobicContact CD2-CB 4.36Å; Y571-L575 HydrophobicContact CD2-CD2 3.65Å; Y571-L575 HydrophobicContact CE1-CD2 4.16Å; Y571-L575 HydrophobicContact CE2-CD2 3.11Å; Y571-L575 HydrophobicContact CE2-CG 4.43Å; Y571-L575 HydrophobicContact CG-CD2 4.37Å; Y571-L575 VanDerWaalsContact CZ-CD2 3.4Å; Y571-L575 WeakPolarHBondContact O-CA 3.48Å; Y571-L575 WeakPolarHBondContact O-CB 3.34Å; Y571-L575 PolarHBondContact O-N 2.79Å; Y571-G576 PolarHBondContact O-N 2.85Å; Y571-G576 VanDerWaalsContact O-N 3.1Å |
| 572 | I | 87.2 | Confident | 84.7 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -66.6 | -49 | -178.1 | -67.3 | 171.6 | 0 | 0 | 0 | 111 | L568 V569 G576 | L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.29Å; V569-I572 PolarHBondContact O-N 3.48Å; I572-G576 WeakPolarHBondContact O-CA 3.43Å; I572-G576 PolarHBondContact O-N 2.73Å |
| 573 | T | 88.1 | Confident | 84.8 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -75 | -45.7 | -174.2 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | H483 V534 V569 L577 | H483-T573 PolarHBondContact NE2-OG1 2.81Å; V534-T573 HydrophobicContact CG2-CG2 3.85Å; V569-T573 HydrophobicContact CG1-CG2 4.25Å; V569-T573 WeakPolarHBondContact O-CG2 3.04Å; V569-T573 PolarHBondContact O-N 2.01Å; V569-T573 PolarHBondContact O-OG1 3.36Å; T573-L577 VanDerWaalsContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CD1 3.36Å; T573-L577 WeakPolarHBondContact O-CG 3.37Å |
| 574 | N | 88.6 | Confident | 84.8 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -85.2 | -58.4 | -175.2 | -57.4 | -51 | 0 | 0 | 0 | 111.3 | H483 W563 S570 G576 L577 F578 | H483-N574 PolarHBondContact CD2-OD1 3.4Å; H483-N574 PolarHBondContact NE2-OD1 2.79Å; W563-N574 WeakPolarHBondContact CZ2-ND2 3.42Å; S570-N574 WeakPolarHBondContact O-CB 3.39Å; S570-N574 PolarHBondContact O-N 2.89Å; S570-N574 PolarHBondContact O-ND2 3.44Å; S570-N574 PolarHBondContact OG-ND2 3.16Å; N574-G576 PolarHBondContact O-N 3.32Å; N574-L577 PolarHBondContact O-N 3.03Å; N574-F578 WeakPolarHBondContact O-CB 3.46Å; N574-F578 PolarHBondContact O-N 3.37Å |
| 575 | L | 85.9 | Confident | 84.9 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -69.1 | -36 | -175.9 | -167.5 | 73.2 | 0 | 0 | 0 | 111.5 | Y571 F578 S579 I626 F627 | Y571-L575 HydrophobicContact CD2-CB 4.36Å; Y571-L575 HydrophobicContact CD2-CD2 3.65Å; Y571-L575 HydrophobicContact CE1-CD2 4.16Å; Y571-L575 HydrophobicContact CE2-CD2 3.11Å; Y571-L575 HydrophobicContact CE2-CG 4.43Å; Y571-L575 HydrophobicContact CG-CD2 4.37Å; Y571-L575 VanDerWaalsContact CZ-CD2 3.4Å; Y571-L575 WeakPolarHBondContact O-CA 3.48Å; Y571-L575 WeakPolarHBondContact O-CB 3.34Å; Y571-L575 PolarHBondContact O-N 2.79Å; L575-F578 HydrophobicContact CD1-CD1 4.1Å; L575-F578 PolarHBondContact O-N 3.38Å; L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 2.77Å; L575-S579 PolarHBondContact O-OG 2.72Å; L575-I626 HydrophobicContact CD1-CG2 4.3Å; L575-F627 HydrophobicContact CD1-CE1 3.92Å; L575-F627 HydrophobicContact CD1-CZ 4.41Å; L575-F627 HydrophobicContact CG-CE1 4.32Å |
| 576 | G | 89.9 | Confident | 85.5 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y571 I572 N574 S579 L580 | Y571-G576 PolarHBondContact O-N 2.85Å; Y571-G576 VanDerWaalsContact O-N 3.1Å; I572-G576 WeakPolarHBondContact O-CA 3.43Å; I572-G576 PolarHBondContact O-N 2.73Å; N574-G576 PolarHBondContact O-N 3.32Å; G576-S579 PolarHBondContact O-N 2.83Å; G576-L580 PolarHBondContact O-N 2.86Å; G576-L580 VanDerWaalsContact O-N 3.14Å |
| 577 | L | 89.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.2 | -74.9 | -175.7 | 0 | 0 | 0 | 112.9 | L487 F526 L530 T573 N574 S579 L580 V581 | L487-L577 HydrophobicContact CD1-CD1 4.01Å; L487-L577 HydrophobicContact CD2-CD1 3.57Å; L487-L577 HydrophobicContact CG-CD1 4.27Å; F526-L577 HydrophobicContact CE1-CD1 4Å; F526-L577 HydrophobicContact CE1-CD2 3.6Å; F526-L577 HydrophobicContact CE1-CG 4.47Å; F526-L577 HydrophobicContact CZ-CD2 3.74Å; L530-L577 HydrophobicContact CD1-CD1 3.39Å; L530-L577 HydrophobicContact CD1-CD2 4.27Å; L530-L577 HydrophobicContact CD1-CG 4.25Å; T573-L577 VanDerWaalsContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CD1 3.36Å; T573-L577 WeakPolarHBondContact O-CG 3.37Å; N574-L577 PolarHBondContact O-N 3.03Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 2.9Å; L577-L580 PolarHBondContact O-N 2.77Å; L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.39Å |
| 578 | F | 88.6 | Confident | 86.6 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 176.1 | 172.6 | -112 | 0 | 0 | 0 | 111.3 | L490 N574 L575 L580 V581 F582 W623 I626 F627 | L490-F578 HydrophobicContact CD1-CB 4.21Å; L490-F578 HydrophobicContact CD2-CD2 3.89Å; N574-F578 WeakPolarHBondContact O-CB 3.46Å; N574-F578 PolarHBondContact O-N 3.37Å; L575-F578 HydrophobicContact CD1-CD1 4.1Å; L575-F578 PolarHBondContact O-N 3.38Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 2.87Å; F578-V581 PolarHBondContact O-N 3.49Å; F578-F582 HydrophobicContact CE2-CB 4.22Å; F578-F582 HydrophobicContact CZ-CB 4.1Å; F578-F582 HydrophobicContact CZ-CG 4.44Å; F578-F582 VanDerWaalsContact O-CB 3.26Å; F578-F582 WeakPolarHBondContact O-CB 3.48Å; F578-F582 PolarHBondContact O-N 2.82Å; F578-W623 HydrophobicContact CD2-CB 4.11Å; F578-W623 HydrophobicContact CE1-CB 4.38Å; F578-W623 HydrophobicContact CE2-CB 3.11Å; F578-W623 AromaticContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CZ-CB 3.29Å; F578-W623 VanDerWaalsContact CZ-O 3.3Å; F578-W623 WeakPolarHBondContact CZ-O 3.28Å; F578-I626 HydrophobicContact CD1-CG2 3.99Å; F578-I626 HydrophobicContact CE1-CG2 3.56Å; F578-I626 HydrophobicContact CZ-CG2 4.43Å; F578-F627 AromaticContact CD1-CE2 3.84Å; F578-F627 HydrophobicContact CD1-CE2 3.84Å; F578-F627 AromaticContact CD1-CZ 3.7Å; F578-F627 HydrophobicContact CD1-CZ 3.7Å; F578-F627 AromaticContact CE1-CD2 3.88Å; F578-F627 HydrophobicContact CE1-CD2 3.88Å; F578-F627 AromaticContact CE1-CE2 3.2Å; F578-F627 HydrophobicContact CE1-CE2 3.2Å; F578-F627 AromaticContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CZ-CE2 4Å |
| 579 | S | 88.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | L575 G576 L577 F582 L583 F627 | L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 2.77Å; L575-S579 PolarHBondContact O-OG 2.72Å; G576-S579 PolarHBondContact O-N 2.83Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 2.9Å; S579-F582 PolarHBondContact O-N 2.82Å; S579-L583 WeakPolarHBondContact O-CB 3.09Å; S579-L583 VanDerWaalsContact O-CG 3.3Å; S579-L583 WeakPolarHBondContact O-CG 3.06Å; S579-L583 PolarHBondContact O-N 2.97Å; S579-F627 VanDerWaalsContact OG-CZ 3.27Å; S579-F627 WeakPolarHBondContact OG-CZ 3.06Å |
| 580 | L | 90.4 | Very high | 87.1 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 59% | 0.586 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -49.1 | 178.1 | -177.5 | 68.9 | 0 | 0 | 0 | 111.7 | G576 L577 F578 F582 F584 | G576-L580 PolarHBondContact O-N 2.86Å; G576-L580 VanDerWaalsContact O-N 3.14Å; L577-L580 PolarHBondContact O-N 2.77Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 2.87Å; L580-F582 VanDerWaalsContact C-N 3.35Å; L580-F584 VanDerWaalsContact O-CB 3.3Å; L580-F584 WeakPolarHBondContact O-CB 3.21Å; L580-F584 PolarHBondContact O-N 2.91Å |
| 581 | V | 88.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.1 | 171.5 | 0 | 0 | 0 | 0 | 111 | L577 F578 F584 N585 | L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.39Å; F578-V581 PolarHBondContact O-N 3.49Å; V581-F584 PolarHBondContact O-N 3.38Å; V581-N585 WeakPolarHBondContact O-CB 3.43Å; V581-N585 PolarHBondContact O-N 2.98Å |
| 582 | F | 87.2 | Confident | 87.1 | Confident | 34 Ų | 34 | 46 Ų | 46 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -51.2 | 177.8 | 174 | -107.5 | 0 | 0 | 0 | 111.8 | F578 S579 L580 F584 N585 M586 L621 A624 F627 | F578-F582 HydrophobicContact CE2-CB 4.22Å; F578-F582 HydrophobicContact CZ-CB 4.1Å; F578-F582 HydrophobicContact CZ-CG 4.44Å; F578-F582 VanDerWaalsContact O-CB 3.26Å; F578-F582 WeakPolarHBondContact O-CB 3.48Å; F578-F582 PolarHBondContact O-N 2.82Å; S579-F582 PolarHBondContact O-N 2.82Å; L580-F582 VanDerWaalsContact C-N 3.35Å; F582-F584 VanDerWaalsContact C-N 3.3Å; F582-F584 PolarHBondContact O-N 2.82Å; F582-N585 PolarHBondContact O-N 3.22Å; F582-M586 HydrophobicContact CD1-CG 4.44Å; F582-M586 HydrophobicContact CD2-CG 4.04Å; F582-M586 HydrophobicContact CE1-CG 3.99Å; F582-M586 HydrophobicContact CE2-CG 3.51Å; F582-M586 HydrophobicContact CE2-SD 3.88Å; F582-M586 HydrophobicContact CG-CG 4.47Å; F582-M586 HydrophobicContact CZ-CG 3.5Å; F582-M586 HydrophobicContact CZ-SD 4.03Å; F582-M586 WeakPolarHBondContact O-CB 3.22Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.42Å; F582-M586 PolarHBondContact O-N 3.27Å; F582-L621 HydrophobicContact CE2-CD2 3.93Å; F582-L621 HydrophobicContact CE2-CG 4.46Å; F582-L621 HydrophobicContact CZ-CD2 4.29Å; F582-A624 HydrophobicContact CD2-CB 3.93Å; F582-A624 HydrophobicContact CE1-CB 4.35Å; F582-A624 HydrophobicContact CE2-CB 3.37Å; F582-A624 HydrophobicContact CZ-CB 3.6Å; F582-F627 HydrophobicContact CD1-CE2 4.07Å; F582-F627 HydrophobicContact CG-CE2 4.41Å |
| 583 | L | 88.9 | Confident | 86.7 | Confident | 117 Ų | 117 | 42.9 Ų | 42.9 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 177.7 | -70.9 | 173.8 | 0 | 0 | 0 | 111.5 | S579 M586 A587 | S579-L583 WeakPolarHBondContact O-CB 3.09Å; S579-L583 VanDerWaalsContact O-CG 3.3Å; S579-L583 WeakPolarHBondContact O-CG 3.06Å; S579-L583 PolarHBondContact O-N 2.97Å; L583-M586 PolarHBondContact O-N 2.82Å; L583-A587 WeakPolarHBondContact O-CB 3.06Å; L583-A587 PolarHBondContact O-N 2.85Å |
| 584 | F | 88.8 | Confident | 86.5 | Confident | 93 Ų | 93 | 45 Ų | 45 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 176.4 | -179.2 | -114.4 | 0 | 0 | 0 | 111.8 | Y498 L580 V581 F582 M586 A587 M588 | Y498-F584 HydrophobicContact CD2-CZ 4.08Å; Y498-F584 HydrophobicContact CG-CZ 4.45Å; L580-F584 VanDerWaalsContact O-CB 3.3Å; L580-F584 WeakPolarHBondContact O-CB 3.21Å; L580-F584 PolarHBondContact O-N 2.91Å; V581-F584 PolarHBondContact O-N 3.38Å; F582-F584 VanDerWaalsContact C-N 3.3Å; F582-F584 PolarHBondContact O-N 2.82Å; F584-M586 PolarHBondContact O-N 2.85Å; F584-A587 PolarHBondContact O-N 3.12Å; F584-M588 HydrophobicContact CD1-CE 3.22Å; F584-M588 HydrophobicContact CD1-SD 3.93Å; F584-M588 HydrophobicContact CD2-SD 4.47Å; F584-M588 HydrophobicContact CE1-CE 3.17Å; F584-M588 HydrophobicContact CE1-SD 3.34Å; F584-M588 WeakPolarHBondContact CE1-SD 3.43Å; F584-M588 HydrophobicContact CE2-CE 4.47Å; F584-M588 HydrophobicContact CE2-CG 4.39Å; F584-M588 HydrophobicContact CE2-SD 3.95Å; F584-M588 HydrophobicContact CG-CE 3.95Å; F584-M588 HydrophobicContact CG-SD 4.46Å; F584-M588 HydrophobicContact CZ-CE 3.84Å; F584-M588 HydrophobicContact CZ-CG 4.35Å; F584-M588 HydrophobicContact CZ-SD 3.35Å; F584-M588 WeakPolarHBondContact CZ-SD 3.28Å; F584-M588 WeakPolarHBondContact O-CG 3.36Å; F584-M588 PolarHBondContact O-N 3.28Å |
| 585 | N | 87 | Confident | 86.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.5 | -80.7 | -22.6 | 0 | 0 | 0 | 112.8 | V581 F582 M588 L589 | V581-N585 WeakPolarHBondContact O-CB 3.43Å; V581-N585 PolarHBondContact O-N 2.98Å; F582-N585 PolarHBondContact O-N 3.22Å; N585-M588 HydrophobicContact CB-CE 4.34Å; N585-M588 PolarHBondContact O-N 3Å; N585-M588 WeakPolarHBondContact OD1-CE 3.06Å; N585-L589 VanDerWaalsContact O-CB 3.31Å; N585-L589 WeakPolarHBondContact O-CB 3.33Å; N585-L589 PolarHBondContact O-N 3.08Å |
| 586 | M | 85.9 | Confident | 85.6 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.3 | -74.6 | -61 | -66.4 | 0 | 0 | 112.3 | F582 L583 F584 L589 A590 L621 | F582-M586 HydrophobicContact CD1-CG 4.44Å; F582-M586 HydrophobicContact CD2-CG 4.04Å; F582-M586 HydrophobicContact CE1-CG 3.99Å; F582-M586 HydrophobicContact CE2-CG 3.51Å; F582-M586 HydrophobicContact CE2-SD 3.88Å; F582-M586 HydrophobicContact CG-CG 4.47Å; F582-M586 HydrophobicContact CZ-CG 3.5Å; F582-M586 HydrophobicContact CZ-SD 4.03Å; F582-M586 WeakPolarHBondContact O-CB 3.22Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.42Å; F582-M586 PolarHBondContact O-N 3.27Å; L583-M586 PolarHBondContact O-N 2.82Å; F584-M586 PolarHBondContact O-N 2.85Å; M586-L589 PolarHBondContact O-N 2.85Å; M586-A590 WeakPolarHBondContact O-CB 3.31Å; M586-A590 PolarHBondContact O-N 3.22Å; M586-L621 HydrophobicContact CE-CD2 4.43Å; M586-L621 HydrophobicContact SD-CD1 4.1Å; M586-L621 HydrophobicContact SD-CD2 3.82Å; M586-L621 HydrophobicContact SD-CG 3.97Å |
| 587 | A | 87.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L583 F584 L589 A590 T591 | L583-A587 WeakPolarHBondContact O-CB 3.06Å; L583-A587 PolarHBondContact O-N 2.85Å; F584-A587 PolarHBondContact O-N 3.12Å; A587-L589 PolarHBondContact O-N 2.91Å; A587-A590 PolarHBondContact O-N 3Å; A587-T591 WeakPolarHBondContact O-CG2 3.45Å; A587-T591 PolarHBondContact O-N 2.75Å; A587-T591 VanDerWaalsContact O-N 3.08Å; A587-T591 PolarHBondContact O-OG1 2.83Å |
| 588 | M | 85.1 | Confident | 84.3 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.8 | -69.6 | -175.1 | -60.4 | 0 | 0 | 111.6 | G497 Y498 F584 N585 A590 T591 M592 | G497-M588 VanDerWaalsContact C-CE 3.46Å; G497-M588 VanDerWaalsContact C-SD 3.52Å; Y498-M588 WeakPolarHBondContact CA-SD 3.14Å; Y498-M588 HydrophobicContact CD2-SD 4.35Å; Y498-M588 PolarHBondContact N-SD 3.46Å; F584-M588 HydrophobicContact CD1-CE 3.22Å; F584-M588 HydrophobicContact CD1-SD 3.93Å; F584-M588 HydrophobicContact CD2-SD 4.47Å; F584-M588 HydrophobicContact CE1-CE 3.17Å; F584-M588 HydrophobicContact CE1-SD 3.34Å; F584-M588 WeakPolarHBondContact CE1-SD 3.43Å; F584-M588 HydrophobicContact CE2-CE 4.47Å; F584-M588 HydrophobicContact CE2-CG 4.39Å; F584-M588 HydrophobicContact CE2-SD 3.95Å; F584-M588 HydrophobicContact CG-CE 3.95Å; F584-M588 HydrophobicContact CG-SD 4.46Å; F584-M588 HydrophobicContact CZ-CE 3.84Å; F584-M588 HydrophobicContact CZ-CG 4.35Å; F584-M588 HydrophobicContact CZ-SD 3.35Å; F584-M588 WeakPolarHBondContact CZ-SD 3.28Å; F584-M588 WeakPolarHBondContact O-CG 3.36Å; F584-M588 PolarHBondContact O-N 3.28Å; N585-M588 HydrophobicContact CB-CE 4.34Å; N585-M588 PolarHBondContact O-N 3Å; N585-M588 WeakPolarHBondContact OD1-CE 3.06Å; M588-A590 PolarHBondContact O-N 2.81Å; M588-T591 PolarHBondContact O-N 2.85Å; M588-T591 PolarHBondContact O-OG1 2.89Å; M588-M592 WeakPolarHBondContact O-CB 3.42Å; M588-M592 VanDerWaalsContact O-CG 3.25Å; M588-M592 WeakPolarHBondContact O-CG 3.28Å; M588-M592 PolarHBondContact O-N 3.47Å |
| 589 | L | 82.6 | Confident | 83.4 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.2 | -178.2 | 54.1 | 0 | 0 | 0 | 112.1 | N585 M586 A587 T591 M592 V593 L613 S616 L621 | N585-L589 VanDerWaalsContact O-CB 3.31Å; N585-L589 WeakPolarHBondContact O-CB 3.33Å; N585-L589 PolarHBondContact O-N 3.08Å; M586-L589 PolarHBondContact O-N 2.85Å; A587-L589 PolarHBondContact O-N 2.91Å; L589-T591 VanDerWaalsContact C-N 3.34Å; L589-T591 PolarHBondContact O-N 2.04Å; L589-M592 PolarHBondContact O-N 3.14Å; L589-V593 HydrophobicContact CD1-CG2 4.13Å; L589-V593 WeakPolarHBondContact O-CG2 3.44Å; L589-V593 PolarHBondContact O-N 2.93Å; L589-L613 HydrophobicContact CD1-CD1 3.69Å; L589-L613 HydrophobicContact CD2-CD1 4.26Å; L589-L613 HydrophobicContact CG-CD1 4.34Å; L589-S616 VanDerWaalsContact CD1-CB 3.5Å; L589-S616 WeakPolarHBondContact CD1-OG 3.22Å; L589-L621 HydrophobicContact CD2-CD1 4.4Å |
| 590 | A | 84.8 | Confident | 82.3 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M586 A587 M588 V593 V594 | M586-A590 WeakPolarHBondContact O-CB 3.31Å; M586-A590 PolarHBondContact O-N 3.22Å; A587-A590 PolarHBondContact O-N 3Å; M588-A590 PolarHBondContact O-N 2.81Å; A590-V593 PolarHBondContact O-N 2.72Å; A590-V594 VanDerWaalsContact O-CG2 3.32Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.05Å |
| 591 | T | 84.7 | Confident | 80.6 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.6 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | Y501 A587 M588 L589 V594 Q595 | Y501-T591 WeakPolarHBondContact CD2-OG1 3.33Å; Y501-T591 VanDerWaalsContact CE2-OG1 3.27Å; Y501-T591 WeakPolarHBondContact CE2-OG1 3.36Å; A587-T591 WeakPolarHBondContact O-CG2 3.45Å; A587-T591 PolarHBondContact O-N 2.75Å; A587-T591 VanDerWaalsContact O-N 3.08Å; A587-T591 PolarHBondContact O-OG1 2.83Å; M588-T591 PolarHBondContact O-N 2.85Å; M588-T591 PolarHBondContact O-OG1 2.89Å; L589-T591 VanDerWaalsContact C-N 3.34Å; L589-T591 PolarHBondContact O-N 2.04Å; T591-V594 PolarHBondContact O-N 3.41Å; T591-Q595 WeakPolarHBondContact O-CB 3.31Å; T591-Q595 VanDerWaalsContact O-CG 3.29Å; T591-Q595 WeakPolarHBondContact O-CG 3.46Å; T591-Q595 PolarHBondContact O-N 2.94Å |
| 592 | M | 80.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.6 | -73 | 168.8 | 64.3 | 0 | 0 | 111.5 | L500 Y501 V504 V505 M588 L589 Q595 I596 L612 | L500-M592 HydrophobicContact CB-CE 3.86Å; L500-M592 HydrophobicContact CB-SD 4.21Å; Y501-M592 HydrophobicContact CD2-CG 4.32Å; V504-M592 HydrophobicContact CB-CG 4.36Å; V504-M592 HydrophobicContact CG2-CE 3.91Å; V505-M592 HydrophobicContact CG2-CG 4.43Å; M588-M592 WeakPolarHBondContact O-CB 3.42Å; M588-M592 VanDerWaalsContact O-CG 3.25Å; M588-M592 WeakPolarHBondContact O-CG 3.28Å; M588-M592 PolarHBondContact O-N 3.47Å; L589-M592 PolarHBondContact O-N 3.14Å; M592-Q595 PolarHBondContact O-N 2.86Å; M592-I596 WeakPolarHBondContact O-CB 3.46Å; M592-I596 WeakPolarHBondContact O-CD1 3.37Å; M592-I596 WeakPolarHBondContact O-CG1 3.4Å; M592-I596 PolarHBondContact O-N 2.78Å; M592-L612 HydrophobicContact CE-CD2 3.82Å; M592-L612 HydrophobicContact CE-CG 4.31Å |
| 593 | V | 79.9 | Confident | 77.1 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L589 A590 Q595 I596 L597 L613 | L589-V593 HydrophobicContact CD1-CG2 4.13Å; L589-V593 WeakPolarHBondContact O-CG2 3.44Å; L589-V593 PolarHBondContact O-N 2.93Å; A590-V593 PolarHBondContact O-N 2.72Å; V593-Q595 VanDerWaalsContact C-N 3.33Å; V593-Q595 PolarHBondContact O-N 2.85Å; V593-I596 PolarHBondContact O-N 2.65Å; V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.28Å; V593-L597 WeakPolarHBondContact O-CB 3.29Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.29Å; V593-L597 PolarHBondContact O-N 2.83Å; V593-L613 HydrophobicContact CG2-CD1 4.2Å |
| 594 | V | 83.4 | Confident | 75 | Confident | 65 Ų | 65 | 82 Ų | 82 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | A590 T591 L597 R598 | A590-V594 VanDerWaalsContact O-CG2 3.32Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.05Å; T591-V594 PolarHBondContact O-N 3.41Å; V594-L597 PolarHBondContact O-N 2.79Å; V594-R598 WeakPolarHBondContact O-CB 3.36Å; V594-R598 VanDerWaalsContact O-CG 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.4Å; V594-R598 PolarHBondContact O-N 2.63Å |
| 595 | Q | 79.8 | Confident | 73.4 | Confident | 59 Ų | 59 | 82.7 Ų | 82.7 | 28% | 0.276 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 179.8 | -70 | -69 | 1.7 | 0 | 0 | 112.5 | V505 T591 M592 V593 R598 L599 | V505-Q595 HydrophobicContact CG1-CG 4.17Å; V505-Q595 HydrophobicContact CG2-CB 4.27Å; V505-Q595 HydrophobicContact CG2-CG 3.94Å; T591-Q595 WeakPolarHBondContact O-CB 3.31Å; T591-Q595 VanDerWaalsContact O-CG 3.29Å; T591-Q595 WeakPolarHBondContact O-CG 3.46Å; T591-Q595 PolarHBondContact O-N 2.94Å; M592-Q595 PolarHBondContact O-N 2.86Å; V593-Q595 VanDerWaalsContact C-N 3.33Å; V593-Q595 PolarHBondContact O-N 2.85Å; Q595-R598 PolarHBondContact O-N 2.86Å; Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 WeakPolarHBondContact O-CD1 3.42Å; Q595-L599 WeakPolarHBondContact O-CG 3.31Å; Q595-L599 PolarHBondContact O-N 2.64Å |
| 596 | I | 75 | Confident | 71.9 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 17% | 0.169 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.9 | -72.1 | 167.4 | 0 | 0 | 0 | 110.8 | V504 M592 V593 R598 L599 R600 V609 L612 | V504-I596 HydrophobicContact CG1-CD1 4.2Å; V504-I596 HydrophobicContact CG1-CG1 3.86Å; M592-I596 WeakPolarHBondContact O-CB 3.46Å; M592-I596 WeakPolarHBondContact O-CD1 3.37Å; M592-I596 WeakPolarHBondContact O-CG1 3.4Å; M592-I596 PolarHBondContact O-N 2.78Å; V593-I596 PolarHBondContact O-N 2.65Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.12Å; I596-L599 PolarHBondContact O-N 3.43Å; I596-R600 PolarHBondContact O-N 3.43Å; I596-R600 VanDerWaalsContact O-N 3.15Å; I596-V609 HydrophobicContact CG2-CB 4.26Å; I596-V609 HydrophobicContact CG2-CG1 3.8Å; I596-V609 HydrophobicContact CG2-CG2 3.46Å; I596-V609 VanDerWaalsContact CG2-CG2 3.46Å; I596-L612 HydrophobicContact CD1-CD2 4.25Å |
| 597 | L | 74.9 | Confident | 70.5 | Confident | 116 Ų | 116 | 92.8 Ų | 92.8 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -36.3 | 176.3 | -70.1 | 172.8 | 0 | 0 | 0 | 111.9 | V593 V594 | V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.28Å; V593-L597 WeakPolarHBondContact O-CB 3.29Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.29Å; V593-L597 PolarHBondContact O-N 2.83Å; V594-L597 PolarHBondContact O-N 2.79Å |
| 598 | R | 76.7 | Confident | 69.1 | Low | 179 Ų | 179 | 94 Ų | 94 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.6 | -39.4 | 175 | -74.1 | 172.4 | -177.3 | -170.5 | 1.8 | 113.1 | V594 Q595 I596 | V594-R598 WeakPolarHBondContact O-CB 3.36Å; V594-R598 VanDerWaalsContact O-CG 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.4Å; V594-R598 PolarHBondContact O-N 2.63Å; Q595-R598 PolarHBondContact O-N 2.86Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.12Å |
| 599 | L | 70.8 | Confident | 67.8 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -83.9 | -23.1 | -172.6 | -76.8 | 159.5 | 0 | 0 | 0 | 114.5 | Q595 I596 | Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 WeakPolarHBondContact O-CD1 3.42Å; Q595-L599 WeakPolarHBondContact O-CG 3.31Å; Q595-L599 PolarHBondContact O-N 2.64Å; I596-L599 PolarHBondContact O-N 3.43Å |
| 600 | R | 64.8 | Low | 66.8 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | trans | -138.1 | 77.3 | -176.9 | -74.7 | -168.9 | -176.2 | 158.9 | 7.8 | 113.9 | I596 K605 | I596-R600 PolarHBondContact O-N 3.43Å; I596-R600 VanDerWaalsContact O-N 3.15Å; R600-K605 VanDerWaalsContact NH1-CD 3.28Å | ||
| 601 | P | 55.4 | Low | 65.8 | Low | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 49% | 0.49 | S | S | * | . | trans | -75.1 | -23.3 | 175.5 | 26.7 | -31.3 | 0 | 0 | 0 | 113.9 | ||||
| 602 | H | 52.9 | Low | 64.9 | Low | 165 Ų | 165 | 98 Ų | 98 | 76% | 0.764 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -149.7 | 133.1 | -167.4 | -139 | 12.9 | 0 | 0 | 0 | 113.4 | ||
| 603 | T | 48 | Very low | 64 | Low | 122 Ų | 122 | 101.1 Ų | 101.1 | 75% | 0.748 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 77.6 | 107.6 | 167.4 | 70.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 604 | Q | 46.5 | Very low | 63.4 | Low | 174 Ų | 174 | 99.7 Ų | 99.7 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 64.8 | 120.3 | 166.5 | -139.3 | 98 | -24.4 | 0 | 0 | 117 | ||
| 605 | K | 54 | Low | 62.5 | Low | 106 Ų | 106 | 97 Ų | 97 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | trans | 118.1 | 25.7 | 167.3 | -61.4 | 167 | 178.5 | 179.8 | 0 | 117.4 | R600 S607 H608 V609 | R600-K605 VanDerWaalsContact NH1-CD 3.28Å; K605-S607 PolarHBondContact O-N 3.19Å; K605-S607 VanDerWaalsContact O-N 3.16Å; K605-H608 PolarHBondContact O-N 3.08Å; K605-H608 VanDerWaalsContact O-N 3.14Å; K605-V609 PolarHBondContact O-N 3.49Å | ||
| 606 | W | 55.3 | Low | 62 | Low | 223 Ų | 223 | 94.7 Ų | 94.7 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -49.1 | -34.1 | 161.2 | -88.9 | 92.3 | 0 | 0 | 0 | 112.8 | H608 V609 L610 | W606-H608 PolarHBondContact O-N 3.18Å; W606-V609 PolarHBondContact O-N 3.15Å; W606-L610 WeakPolarHBondContact O-CB 3.15Å; W606-L610 PolarHBondContact O-N 3.26Å |
| 607 | S | 56.9 | Low | 61.3 | Low | 69 Ų | 69 | 97.2 Ų | 97.2 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 113.6 | K605 T611 | K605-S607 PolarHBondContact O-N 3.19Å; K605-S607 VanDerWaalsContact O-N 3.16Å; S607-T611 VanDerWaalsContact O-CB 3.31Å; S607-T611 WeakPolarHBondContact O-CB 3.49Å; S607-T611 PolarHBondContact O-N 2.94Å; S607-T611 PolarHBondContact O-OG1 2.87Å |
| 608 | H | 58.4 | Low | 60.9 | Low | 84 Ų | 84 | 93.4 Ų | 93.4 | 39% | 0.389 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.8 | -33.7 | -179.8 | -65.8 | -48.4 | 0 | 0 | 0 | 112.5 | K605 W606 T611 L612 | K605-H608 PolarHBondContact O-N 3.08Å; K605-H608 VanDerWaalsContact O-N 3.14Å; W606-H608 PolarHBondContact O-N 3.18Å; H608-T611 PolarHBondContact O-N 2.95Å; H608-L612 WeakPolarHBondContact O-CB 3.49Å; H608-L612 PolarHBondContact O-N 3.06Å |
| 609 | V | 58.3 | Low | 60.5 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | I596 K605 W606 T611 L612 L613 | I596-V609 HydrophobicContact CG2-CB 4.26Å; I596-V609 HydrophobicContact CG2-CG1 3.8Å; I596-V609 HydrophobicContact CG2-CG2 3.46Å; I596-V609 VanDerWaalsContact CG2-CG2 3.46Å; K605-V609 PolarHBondContact O-N 3.49Å; W606-V609 PolarHBondContact O-N 3.15Å; V609-T611 VanDerWaalsContact C-N 3.28Å; V609-T611 PolarHBondContact O-N 2.85Å; V609-L612 PolarHBondContact O-N 3.48Å; V609-L613 WeakPolarHBondContact O-CB 3.17Å; V609-L613 PolarHBondContact O-N 2.91Å |
| 610 | L | 60.7 | Low | 60.3 | Low | 119 Ų | 119 | 79.7 Ų | 79.7 | 62% | 0.623 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 177.2 | -173 | 64.1 | 0 | 0 | 0 | 111.8 | W606 G614 | W606-L610 WeakPolarHBondContact O-CB 3.15Å; W606-L610 PolarHBondContact O-N 3.26Å; L610-G614 WeakPolarHBondContact O-CA 3.44Å; L610-G614 PolarHBondContact O-N 3.26Å |
| 611 | T | 63.5 | Low | 60.5 | Low | 32 Ų | 32 | 75.5 Ų | 75.5 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | S607 H608 V609 L615 M661 | S607-T611 VanDerWaalsContact O-CB 3.31Å; S607-T611 WeakPolarHBondContact O-CB 3.49Å; S607-T611 PolarHBondContact O-N 2.94Å; S607-T611 PolarHBondContact O-OG1 2.87Å; H608-T611 PolarHBondContact O-N 2.95Å; V609-T611 VanDerWaalsContact C-N 3.28Å; V609-T611 PolarHBondContact O-N 2.85Å; T611-L615 PolarHBondContact O-N 2.9Å; T611-L615 VanDerWaalsContact O-N 3.1Å; T611-M661 HydrophobicContact CG2-SD 4.26Å |
| 612 | L | 66.2 | Low | 61.3 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.4 | -39 | 179 | -151.7 | 78.8 | 0 | 0 | 0 | 111.6 | L500 V504 M592 I596 H608 V609 L615 S616 | L500-L612 HydrophobicContact CD2-CD1 4.28Å; V504-L612 HydrophobicContact CG2-CD2 3.49Å; V504-L612 VanDerWaalsContact CG2-CD2 3.49Å; M592-L612 HydrophobicContact CE-CD2 3.82Å; M592-L612 HydrophobicContact CE-CG 4.31Å; I596-L612 HydrophobicContact CD1-CD2 4.25Å; H608-L612 WeakPolarHBondContact O-CB 3.49Å; H608-L612 PolarHBondContact O-N 3.06Å; V609-L612 PolarHBondContact O-N 3.48Å; L612-L615 PolarHBondContact O-N 2.74Å; L612-S616 PolarHBondContact O-N 2.69Å; L612-S616 VanDerWaalsContact O-N 3.09Å |
| 613 | L | 62.6 | Low | 62.4 | Low | 69 Ų | 69 | 64 Ų | 64 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 172.1 | 178.8 | 59.3 | 0 | 0 | 0 | 110.9 | L589 V593 V609 L615 S616 L617 | L589-L613 HydrophobicContact CD1-CD1 3.69Å; L589-L613 HydrophobicContact CD2-CD1 4.26Å; L589-L613 HydrophobicContact CG-CD1 4.34Å; V593-L613 HydrophobicContact CG2-CD1 4.2Å; V609-L613 WeakPolarHBondContact O-CB 3.17Å; V609-L613 PolarHBondContact O-N 2.91Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 2.83Å; L613-S616 PolarHBondContact O-N 2.89Å; L613-L617 VanDerWaalsContact O-CB 3.22Å; L613-L617 WeakPolarHBondContact O-CB 3.4Å; L613-L617 PolarHBondContact O-N 2.91Å |
| 614 | G | 66.5 | Low | 63.6 | Low | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L610 L617 V618 | L610-G614 WeakPolarHBondContact O-CA 3.44Å; L610-G614 PolarHBondContact O-N 3.26Å; G614-L617 WeakPolarHBondContact O-CB 3.47Å; G614-L617 PolarHBondContact O-N 2.79Å; G614-V618 WeakPolarHBondContact O-CB 3.41Å; G614-V618 WeakPolarHBondContact O-CG2 3.22Å; G614-V618 PolarHBondContact O-N 2.93Å |
| 615 | L | 65.9 | Low | 65.1 | Low | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.9 | -43.7 | 176.7 | -168.9 | 128.2 | 0 | 0 | 0 | 112.4 | L500 T611 L612 L613 L617 V618 L619 W657 | L500-L615 HydrophobicContact CD1-CD2 3.32Å; L500-L615 HydrophobicContact CD2-CD2 4.23Å; L500-L615 HydrophobicContact CG-CD2 4.37Å; T611-L615 PolarHBondContact O-N 2.9Å; T611-L615 VanDerWaalsContact O-N 3.1Å; L612-L615 PolarHBondContact O-N 2.74Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 2.83Å; L615-L617 PolarHBondContact O-N 2.86Å; L615-V618 PolarHBondContact O-N 3.05Å; L615-L619 HydrophobicContact CD2-CD1 3.6Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.34Å; L615-L619 WeakPolarHBondContact O-CG 2.87Å; L615-L619 PolarHBondContact O-N 2.67Å; L615-L619 VanDerWaalsContact O-N 3.12Å; L615-W657 HydrophobicContact CD1-CD2 3.21Å; L615-W657 HydrophobicContact CD1-CE3 3.39Å; L615-W657 HydrophobicContact CD1-CG 3.85Å; L615-W657 HydrophobicContact CD1-CH2 3.56Å; L615-W657 HydrophobicContact CD1-CZ2 3.4Å; L615-W657 VanDerWaalsContact CD1-CZ2 3.4Å; L615-W657 HydrophobicContact CD1-CZ3 3.55Å |
| 616 | S | 68 | Low | 66.1 | Low | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -32.6 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | L589 L612 L613 | L589-S616 VanDerWaalsContact CD1-CB 3.5Å; L589-S616 WeakPolarHBondContact CD1-OG 3.22Å; L612-S616 PolarHBondContact O-N 2.69Å; L612-S616 VanDerWaalsContact O-N 3.09Å; L613-S616 PolarHBondContact O-N 2.89Å |
| 617 | L | 62 | Low | 67 | Low | 85 Ų | 85 | 42.9 Ų | 42.9 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -53.4 | 176 | -179.8 | 70.4 | 0 | 0 | 0 | 109.9 | L613 G614 L615 L619 G620 L621 P622 | L613-L617 VanDerWaalsContact O-CB 3.22Å; L613-L617 WeakPolarHBondContact O-CB 3.4Å; L613-L617 PolarHBondContact O-N 2.91Å; G614-L617 WeakPolarHBondContact O-CB 3.47Å; G614-L617 PolarHBondContact O-N 2.79Å; L615-L617 PolarHBondContact O-N 2.86Å; L617-L619 PolarHBondContact O-N 2.81Å; L617-G620 PolarHBondContact O-N 2.82Å; L617-L621 HydrophobicContact CD1-CB 3.61Å; L617-L621 HydrophobicContact CD1-CD1 3.14Å; L617-L621 HydrophobicContact CD1-CG 3.93Å; L617-L621 HydrophobicContact CG-CD1 4.41Å; L617-L621 PolarHBondContact O-N 2.82Å; L617-L621 VanDerWaalsContact O-N 3.09Å; L617-P622 WeakPolarHBondContact O-CD 3.33Å |
| 618 | V | 64.7 | Low | 67.7 | Low | 37 Ų | 37 | 45.2 Ų | 45.2 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -32.5 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | G614 L615 L653 I654 | G614-V618 WeakPolarHBondContact O-CB 3.41Å; G614-V618 WeakPolarHBondContact O-CG2 3.22Å; G614-V618 PolarHBondContact O-N 2.93Å; L615-V618 PolarHBondContact O-N 3.05Å; V618-L653 HydrophobicContact CG1-CB 4.4Å; V618-I654 HydrophobicContact CG1-CG1 4.49Å |
| 619 | L | 68.3 | Low | 68.1 | Low | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.4 | -176 | -67.1 | 174.1 | 0 | 0 | 0 | 116 | L449 M493 E496 L615 L617 I654 | L449-L619 HydrophobicContact CD2-CD2 3.35Å; M493-L619 VanDerWaalsContact CE-C 3.49Å; M493-L619 WeakPolarHBondContact CE-O 3.32Å; M493-L619 HydrophobicContact CG-CD2 4.48Å; E496-L619 HydrophobicContact CB-CD1 4.25Å; E496-L619 HydrophobicContact CG-CD1 3.68Å; L615-L619 HydrophobicContact CD2-CD1 3.6Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.34Å; L615-L619 WeakPolarHBondContact O-CG 2.87Å; L615-L619 PolarHBondContact O-N 2.67Å; L615-L619 VanDerWaalsContact O-N 3.12Å; L617-L619 PolarHBondContact O-N 2.81Å; L619-I654 HydrophobicContact CD2-CD1 4.23Å |
| 620 | G | 67.5 | Low | 68.3 | Low | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -157.3 | -33.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L617 A624 | L617-G620 PolarHBondContact O-N 2.82Å; G620-A624 PolarHBondContact O-N 2.82Å |
| 621 | L | 68.2 | Low | 68.2 | Low | 52 Ų | 52 | 46 Ų | 46 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -77.9 | -35.4 | -174.4 | -85.7 | 164.4 | 0 | 0 | 0 | 114.9 | F582 M586 L589 L617 W623 A624 | F582-L621 HydrophobicContact CE2-CD2 3.93Å; F582-L621 HydrophobicContact CE2-CG 4.46Å; F582-L621 HydrophobicContact CZ-CD2 4.29Å; M586-L621 HydrophobicContact CE-CD2 4.43Å; M586-L621 HydrophobicContact SD-CD1 4.1Å; M586-L621 HydrophobicContact SD-CD2 3.82Å; M586-L621 HydrophobicContact SD-CG 3.97Å; L589-L621 HydrophobicContact CD2-CD1 4.4Å; L617-L621 HydrophobicContact CD1-CB 3.61Å; L617-L621 HydrophobicContact CD1-CD1 3.14Å; L617-L621 HydrophobicContact CD1-CG 3.93Å; L617-L621 HydrophobicContact CG-CD1 4.41Å; L617-L621 PolarHBondContact O-N 2.82Å; L617-L621 VanDerWaalsContact O-N 3.09Å; L621-W623 PolarHBondContact O-N 3.05Å; L621-A624 HydrophobicContact CD2-CB 4.42Å; L621-A624 WeakPolarHBondContact O-CA 3.21Å; L621-A624 WeakPolarHBondContact O-CB 3.25Å; L621-A624 PolarHBondContact O-N 2.95Å |
| 622 | P | 72.9 | Confident | 68 | Low | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.071 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.5 | -37.2 | 172.2 | -27.7 | 34 | 0 | 0 | 0 | 112 | L617 A624 L625 F643 I646 | L617-P622 WeakPolarHBondContact O-CD 3.33Å; P622-A624 VanDerWaalsContact C-N 3.28Å; P622-A624 PolarHBondContact O-N 2.86Å; P622-L625 WeakPolarHBondContact O-CB 3.35Å; P622-L625 VanDerWaalsContact O-CG 3.24Å; P622-L625 WeakPolarHBondContact O-CG 3.34Å; P622-L625 PolarHBondContact O-N 3.38Å; P622-F643 WeakPolarHBondContact O-CD2 3.36Å; P622-I646 HydrophobicContact CB-CB 3.79Å; P622-I646 HydrophobicContact CB-CD1 4.06Å; P622-I646 HydrophobicContact CB-CG2 3.32Å; P622-I646 HydrophobicContact CG-CB 4.19Å; P622-I646 HydrophobicContact CG-CD1 4.26Å; P622-I646 HydrophobicContact CG-CG2 3.25Å |
| 623 | W | 75.6 | Confident | 68 | Low | 27 Ų | 27 | 48.5 Ų | 48.5 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -29.2 | 176.9 | -66.8 | 82.9 | 0 | 0 | 0 | 112.5 | L486 M493 F578 L621 L625 I626 F643 T647 | L486-W623 HydrophobicContact CD1-CH2 3.83Å; L486-W623 HydrophobicContact CD1-CZ3 4.08Å; M493-W623 VanDerWaalsContact CE-CD1 3.48Å; M493-W623 HydrophobicContact CE-CG 4.46Å; F578-W623 HydrophobicContact CD2-CB 4.11Å; F578-W623 HydrophobicContact CE1-CB 4.38Å; F578-W623 HydrophobicContact CE2-CB 3.11Å; F578-W623 AromaticContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CZ-CB 3.29Å; F578-W623 VanDerWaalsContact CZ-O 3.3Å; F578-W623 WeakPolarHBondContact CZ-O 3.28Å; L621-W623 PolarHBondContact O-N 3.05Å; W623-L625 PolarHBondContact O-N 2.86Å; W623-I626 WeakPolarHBondContact O-CB 3.31Å; W623-I626 WeakPolarHBondContact O-CG2 3.28Å; W623-I626 PolarHBondContact O-N 3.21Å; W623-F643 HydrophobicContact CD2-CE2 4.38Å; W623-F643 HydrophobicContact CE3-CE2 4.01Å; W623-F643 HydrophobicContact CE3-CZ 4.17Å; W623-F643 HydrophobicContact CZ3-CZ 4.27Å; W623-T647 HydrophobicContact CD2-CG2 4.15Å; W623-T647 HydrophobicContact CZ2-CG2 4.14Å |
| 624 | A | 74.4 | Confident | 68.4 | Low | 5 Ų | 5 | 50.7 Ų | 50.7 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -21.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F582 G620 L621 P622 I626 F627 F628 | F582-A624 HydrophobicContact CD2-CB 3.93Å; F582-A624 HydrophobicContact CE1-CB 4.35Å; F582-A624 HydrophobicContact CE2-CB 3.37Å; F582-A624 HydrophobicContact CZ-CB 3.6Å; G620-A624 PolarHBondContact O-N 2.82Å; L621-A624 HydrophobicContact CD2-CB 4.42Å; L621-A624 WeakPolarHBondContact O-CA 3.21Å; L621-A624 WeakPolarHBondContact O-CB 3.25Å; L621-A624 PolarHBondContact O-N 2.95Å; P622-A624 VanDerWaalsContact C-N 3.28Å; P622-A624 PolarHBondContact O-N 2.86Å; A624-I626 PolarHBondContact O-N 3.09Å; A624-I626 VanDerWaalsContact O-N 3.14Å; A624-F627 HydrophobicContact CB-CD2 4.47Å; A624-F627 WeakPolarHBondContact O-CB 3.23Å; A624-F627 PolarHBondContact O-N 2.93Å; A624-F628 WeakPolarHBondContact O-CD2 3.46Å |
| 625 | L | 77.9 | Confident | 68.8 | Low | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.3 | -27.4 | 171.1 | -61.6 | 176.7 | 0 | 0 | 0 | 111.4 | P622 W623 F627 F628 S629 V639 L642 F643 I646 | P622-L625 WeakPolarHBondContact O-CB 3.35Å; P622-L625 VanDerWaalsContact O-CG 3.24Å; P622-L625 WeakPolarHBondContact O-CG 3.34Å; P622-L625 PolarHBondContact O-N 3.38Å; W623-L625 PolarHBondContact O-N 2.86Å; L625-F627 VanDerWaalsContact C-N 3.28Å; L625-F627 PolarHBondContact O-N 3.42Å; L625-F628 PolarHBondContact O-N 2.63Å; L625-F628 VanDerWaalsContact O-N 3.07Å; L625-S629 PolarHBondContact O-N 2.87Å; L625-V639 HydrophobicContact CB-CG1 3.97Å; L625-V639 WeakPolarHBondContact O-CG1 3.21Å; L625-L642 HydrophobicContact CD1-CB 3.88Å; L625-F643 HydrophobicContact CB-CB 4.13Å; L625-F643 HydrophobicContact CB-CD2 4.38Å; L625-F643 HydrophobicContact CD1-CB 4.42Å; L625-I646 HydrophobicContact CD1-CD1 4.23Å |
| 626 | I | 74.4 | Confident | 69.3 | Low | 61 Ų | 61 | 56.8 Ų | 56.8 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 176 | -150.1 | 166.2 | 0 | 0 | 0 | 112.6 | L575 F578 W623 A624 F628 S629 F643 | L575-I626 HydrophobicContact CD1-CG2 4.3Å; F578-I626 HydrophobicContact CD1-CG2 3.99Å; F578-I626 HydrophobicContact CE1-CG2 3.56Å; F578-I626 HydrophobicContact CZ-CG2 4.43Å; W623-I626 WeakPolarHBondContact O-CB 3.31Å; W623-I626 WeakPolarHBondContact O-CG2 3.28Å; W623-I626 PolarHBondContact O-N 3.21Å; A624-I626 PolarHBondContact O-N 3.09Å; A624-I626 VanDerWaalsContact O-N 3.14Å; I626-F628 VanDerWaalsContact C-N 3.29Å; I626-F628 PolarHBondContact O-N 3.14Å; I626-S629 VanDerWaalsContact O-CB 3.3Å; I626-S629 WeakPolarHBondContact O-CB 3.32Å; I626-S629 PolarHBondContact O-N 3.26Å; I626-S629 PolarHBondContact O-OG 3.46Å; I626-F643 HydrophobicContact CB-CD2 4.48Å; I626-F643 HydrophobicContact CB-CE2 4.2Å; I626-F643 HydrophobicContact CD1-CE2 4.38Å; I626-F643 HydrophobicContact CD1-CZ 4.12Å |
| 627 | F | 75.1 | Confident | 69.8 | Low | 78 Ų | 78 | 58.1 Ų | 58.1 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 174.9 | -67.4 | -65.3 | 0 | 0 | 0 | 111.9 | L575 F578 S579 F582 A624 L625 S629 | L575-F627 HydrophobicContact CD1-CE1 3.92Å; L575-F627 HydrophobicContact CD1-CZ 4.41Å; L575-F627 HydrophobicContact CG-CE1 4.32Å; F578-F627 AromaticContact CD1-CE2 3.84Å; F578-F627 HydrophobicContact CD1-CE2 3.84Å; F578-F627 AromaticContact CD1-CZ 3.7Å; F578-F627 HydrophobicContact CD1-CZ 3.7Å; F578-F627 AromaticContact CE1-CD2 3.88Å; F578-F627 HydrophobicContact CE1-CD2 3.88Å; F578-F627 AromaticContact CE1-CE2 3.2Å; F578-F627 HydrophobicContact CE1-CE2 3.2Å; F578-F627 AromaticContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CZ-CE2 4Å; S579-F627 VanDerWaalsContact OG-CZ 3.27Å; S579-F627 WeakPolarHBondContact OG-CZ 3.06Å; F582-F627 HydrophobicContact CD1-CE2 4.07Å; F582-F627 HydrophobicContact CG-CE2 4.41Å; A624-F627 HydrophobicContact CB-CD2 4.47Å; A624-F627 WeakPolarHBondContact O-CB 3.23Å; A624-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact C-N 3.28Å; L625-F627 PolarHBondContact O-N 3.42Å; F627-S629 PolarHBondContact O-N 3.01Å |
| 628 | F | 70.7 | Confident | 70.9 | Confident | 118 Ų | 118 | 57.7 Ų | 57.7 | 52% | 0.518 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.7 | -9.4 | 176.3 | -64.9 | -76.2 | 0 | 0 | 0 | 112.9 | A624 L625 I626 F630 A631 F635 V639 | A624-F628 WeakPolarHBondContact O-CD2 3.46Å; L625-F628 PolarHBondContact O-N 2.63Å; L625-F628 VanDerWaalsContact O-N 3.07Å; I626-F628 VanDerWaalsContact C-N 3.29Å; I626-F628 PolarHBondContact O-N 3.14Å; F628-F630 PolarHBondContact O-N 3.1Å; F628-A631 WeakPolarHBondContact O-CB 3.34Å; F628-A631 PolarHBondContact O-N 2.86Å; F628-F635 HydrophobicContact CB-CE1 4.3Å; F628-V639 HydrophobicContact CB-CG1 4.07Å; F628-V639 HydrophobicContact CB-CG2 4.3Å |
| 629 | S | 67.7 | Low | 71.8 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.2 | 175.3 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | L625 I626 F627 A631 Q636 | L625-S629 PolarHBondContact O-N 2.87Å; I626-S629 VanDerWaalsContact O-CB 3.3Å; I626-S629 WeakPolarHBondContact O-CB 3.32Å; I626-S629 PolarHBondContact O-N 3.26Å; I626-S629 PolarHBondContact O-OG 3.46Å; F627-S629 PolarHBondContact O-N 3.01Å; S629-A631 PolarHBondContact O-N 3.46Å; S629-Q636 WeakPolarHBondContact O-CG 3.36Å; S629-Q636 PolarHBondContact O-NE2 2.84Å |
| 630 | F | 62 | Low | 72.6 | Confident | 191 Ų | 191 | 57.9 Ų | 57.9 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.7 | 170.5 | -175.3 | -93.7 | 0 | 0 | 0 | 112.5 | F628 | F628-F630 PolarHBondContact O-N 3.1Š|
| 631 | A | 57.9 | Low | 73.6 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -64.4 | 146.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F628 S629 F635 Q636 | F628-A631 WeakPolarHBondContact O-CB 3.34Å; F628-A631 PolarHBondContact O-N 2.86Å; S629-A631 PolarHBondContact O-N 3.46Å; A631-F635 HydrophobicContact CB-CD1 3.58Å; A631-F635 HydrophobicContact CB-CE1 3.99Å; A631-Q636 WeakPolarHBondContact O-CB 3.49Å; A631-Q636 VanDerWaalsContact O-CG 3.28Å; A631-Q636 WeakPolarHBondContact O-CG 3.15Å; A631-Q636 PolarHBondContact O-OE1 3.46Å |
| 632 | S | 60.1 | Low | 74.5 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | trans | -98.6 | 152.6 | -177.2 | 57 | 0 | 0 | 0 | 0 | 113 | ||||
| 633 | G | 64.7 | Low | 75.1 | Confident | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 87.4 | -152.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F635 Q636 L637 | G633-F635 PolarHBondContact O-N 2.79Å; G633-Q636 VanDerWaalsContact O-CB 3.22Å; G633-Q636 WeakPolarHBondContact O-CB 3.48Å; G633-Q636 PolarHBondContact O-N 3.38Å; G633-Q636 VanDerWaalsContact O-N 3.09Å; G633-L637 PolarHBondContact O-N 2.9Å |
| 634 | T | 73 | Confident | 75.6 | Confident | 115 Ų | 115 | 62 Ų | 62 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.2 | -31.3 | -174.2 | -45.7 | 0 | 0 | 0 | 0 | 113.3 | L637 V638 | T634-L637 WeakPolarHBondContact O-CB 3.25Å; T634-L637 PolarHBondContact O-N 2.89Å; T634-V638 WeakPolarHBondContact O-CG2 3.33Å; T634-V638 PolarHBondContact O-N 3.12Å; T634-V638 VanDerWaalsContact O-N 3.11Å |
| 635 | F | 74.1 | Confident | 76.3 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 177 | -179.8 | -101.4 | 0 | 0 | 0 | 111.8 | F628 A631 G633 L637 V638 V639 | F628-F635 HydrophobicContact CB-CE1 4.3Å; A631-F635 HydrophobicContact CB-CD1 3.58Å; A631-F635 HydrophobicContact CB-CE1 3.99Å; G633-F635 PolarHBondContact O-N 2.79Å; F635-L637 VanDerWaalsContact C-N 3.27Å; F635-L637 PolarHBondContact O-N 2.88Å; F635-V638 PolarHBondContact O-N 2.77Å; F635-V639 HydrophobicContact CD1-CG2 4.07Å; F635-V639 HydrophobicContact CE1-CG2 3.69Å; F635-V639 HydrophobicContact CE2-CG2 4.16Å; F635-V639 HydrophobicContact CG-CG2 4.48Å; F635-V639 HydrophobicContact CZ-CG2 3.74Å; F635-V639 WeakPolarHBondContact O-CB 3.39Å; F635-V639 VanDerWaalsContact O-CG2 3.27Å; F635-V639 WeakPolarHBondContact O-CG2 3.29Å; F635-V639 PolarHBondContact O-N 3.04Å |
| 636 | Q | 76.6 | Confident | 76.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -45.6 | 173.9 | -164.1 | -177 | -11.3 | 0 | 0 | 111.3 | S629 A631 G633 V639 L640 | S629-Q636 WeakPolarHBondContact O-CG 3.36Å; S629-Q636 PolarHBondContact O-NE2 2.84Å; A631-Q636 WeakPolarHBondContact O-CB 3.49Å; A631-Q636 VanDerWaalsContact O-CG 3.28Å; A631-Q636 WeakPolarHBondContact O-CG 3.15Å; A631-Q636 PolarHBondContact O-OE1 3.46Å; G633-Q636 VanDerWaalsContact O-CB 3.22Å; G633-Q636 WeakPolarHBondContact O-CB 3.48Å; G633-Q636 PolarHBondContact O-N 3.38Å; G633-Q636 VanDerWaalsContact O-N 3.09Å; Q636-V639 PolarHBondContact O-N 2.9Å; Q636-L640 HydrophobicContact CG-CD1 4.16Å; Q636-L640 WeakPolarHBondContact O-CB 3.39Å; Q636-L640 VanDerWaalsContact O-CG 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.49Å; Q636-L640 PolarHBondContact O-N 2.83Å |
| 637 | L | 78.9 | Confident | 77.1 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | -179.8 | -171.4 | 64.4 | 0 | 0 | 0 | 111 | V395 H399 G633 T634 F635 V639 L640 Y641 | V395-L637 HydrophobicContact CG1-CD1 3.96Å; H399-L637 HydrophobicContact CB-CD1 3.94Å; G633-L637 PolarHBondContact O-N 2.9Å; T634-L637 WeakPolarHBondContact O-CB 3.25Å; T634-L637 PolarHBondContact O-N 2.89Å; F635-L637 VanDerWaalsContact C-N 3.27Å; F635-L637 PolarHBondContact O-N 2.88Å; L637-V639 VanDerWaalsContact C-N 3.31Å; L637-V639 PolarHBondContact O-N 3.32Å; L637-L640 PolarHBondContact O-N 2.87Å; L637-Y641 HydrophobicContact CD1-CD2 4.1Å; L637-Y641 HydrophobicContact CD1-CE2 3.69Å; L637-Y641 HydrophobicContact CG-CD2 4.02Å; L637-Y641 HydrophobicContact CG-CE2 3.88Å; L637-Y641 VanDerWaalsContact O-CD2 3.28Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 3.47Å |
| 638 | V | 83.8 | Confident | 77.7 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | T634 F635 L640 Y641 L642 | T634-V638 WeakPolarHBondContact O-CG2 3.33Å; T634-V638 PolarHBondContact O-N 3.12Å; T634-V638 VanDerWaalsContact O-N 3.11Å; F635-V638 PolarHBondContact O-N 2.77Å; V638-L640 PolarHBondContact O-N 3.01Å; V638-Y641 PolarHBondContact O-N 2.82Å; V638-L642 HydrophobicContact CG1-CD1 4Å; V638-L642 HydrophobicContact CG1-CG 4.43Å; V638-L642 WeakPolarHBondContact O-CG 3.44Å; V638-L642 PolarHBondContact O-N 3.06Å |
| 639 | V | 84.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.4 | L625 F628 F635 Q636 L637 L642 F643 | L625-V639 HydrophobicContact CB-CG1 3.97Å; L625-V639 WeakPolarHBondContact O-CG1 3.21Å; F628-V639 HydrophobicContact CB-CG1 4.07Å; F628-V639 HydrophobicContact CB-CG2 4.3Å; F635-V639 HydrophobicContact CD1-CG2 4.07Å; F635-V639 HydrophobicContact CE1-CG2 3.69Å; F635-V639 HydrophobicContact CE2-CG2 4.16Å; F635-V639 HydrophobicContact CG-CG2 4.48Å; F635-V639 HydrophobicContact CZ-CG2 3.74Å; F635-V639 WeakPolarHBondContact O-CB 3.39Å; F635-V639 VanDerWaalsContact O-CG2 3.27Å; F635-V639 WeakPolarHBondContact O-CG2 3.29Å; F635-V639 PolarHBondContact O-N 3.04Å; Q636-V639 PolarHBondContact O-N 2.9Å; L637-V639 VanDerWaalsContact C-N 3.31Å; L637-V639 PolarHBondContact O-N 3.32Å; V639-L642 PolarHBondContact O-N 2.88Å; V639-F643 VanDerWaalsContact O-CB 3.25Å; V639-F643 WeakPolarHBondContact O-CB 3.29Å; V639-F643 PolarHBondContact O-N 2.79Å |
| 640 | L | 84.6 | Confident | 79.4 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.7 | -72.3 | 172.7 | 0 | 0 | 0 | 112.5 | V395 L403 Q636 L637 V638 S644 | V395-L640 HydrophobicContact CG2-CD1 3.54Å; L403-L640 HydrophobicContact CD1-CB 4.42Å; Q636-L640 HydrophobicContact CG-CD1 4.16Å; Q636-L640 WeakPolarHBondContact O-CB 3.39Å; Q636-L640 VanDerWaalsContact O-CG 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.49Å; Q636-L640 PolarHBondContact O-N 2.83Å; L637-L640 PolarHBondContact O-N 2.87Å; V638-L640 PolarHBondContact O-N 3.01Å; L640-S644 VanDerWaalsContact O-CB 3.28Å; L640-S644 WeakPolarHBondContact O-CB 3.47Å; L640-S644 PolarHBondContact O-N 2.92Å |
| 641 | Y | 88.2 | Confident | 80.5 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 173.7 | -88 | -79.7 | 0 | 0 | 0 | 111.9 | H399 L403 L406 L637 V638 F643 S644 I645 | H399-Y641 AromaticContact CD2-CE2 3.79Å; H399-Y641 PolarHBondContact CD2-OH 3.09Å; L403-Y641 HydrophobicContact CD2-CD1 3.76Å; L403-Y641 HydrophobicContact CD2-CD2 4.27Å; L403-Y641 HydrophobicContact CD2-CE1 3.93Å; L403-Y641 HydrophobicContact CD2-CE2 4.4Å; L403-Y641 HydrophobicContact CD2-CG 3.94Å; L403-Y641 HydrophobicContact CG-CD1 4.5Å; L403-Y641 HydrophobicContact CG-CE1 4.19Å; L403-Y641 HydrophobicContact CG-CE2 4.41Å; L406-Y641 HydrophobicContact CD2-CD1 4.17Å; L637-Y641 HydrophobicContact CD1-CD2 4.1Å; L637-Y641 HydrophobicContact CD1-CE2 3.69Å; L637-Y641 HydrophobicContact CG-CD2 4.02Å; L637-Y641 HydrophobicContact CG-CE2 3.88Å; L637-Y641 VanDerWaalsContact O-CD2 3.28Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 3.47Å; V638-Y641 PolarHBondContact O-N 2.82Å; Y641-F643 VanDerWaalsContact C-N 3.35Å; Y641-F643 PolarHBondContact O-N 3.15Å; Y641-S644 PolarHBondContact O-N 2.9Å; Y641-I645 WeakPolarHBondContact O-CB 3.24Å; Y641-I645 VanDerWaalsContact O-CG1 3.22Å; Y641-I645 WeakPolarHBondContact O-CG1 3.08Å; Y641-I645 PolarHBondContact O-N 2.83Å |
| 642 | L | 86.9 | Confident | 81.9 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.2 | -70.9 | 174.5 | 0 | 0 | 0 | 111.5 | L625 V638 V639 I646 | L625-L642 HydrophobicContact CD1-CB 3.88Å; V638-L642 HydrophobicContact CG1-CD1 4Å; V638-L642 HydrophobicContact CG1-CG 4.43Å; V638-L642 WeakPolarHBondContact O-CG 3.44Å; V638-L642 PolarHBondContact O-N 3.06Å; V639-L642 PolarHBondContact O-N 2.88Å; L642-I646 WeakPolarHBondContact O-CD1 3.49Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.42Å; L642-I646 PolarHBondContact O-N 2.96Å |
| 643 | F | 86.4 | Confident | 83 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 17% | 0.167 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -51.3 | 174.5 | 174 | -96.4 | 0 | 0 | 0 | 111 | P622 W623 L625 I626 V639 Y641 I645 I646 T647 | P622-F643 WeakPolarHBondContact O-CD2 3.36Å; W623-F643 HydrophobicContact CD2-CE2 4.38Å; W623-F643 HydrophobicContact CE3-CE2 4.01Å; W623-F643 HydrophobicContact CE3-CZ 4.17Å; W623-F643 HydrophobicContact CZ3-CZ 4.27Å; L625-F643 HydrophobicContact CB-CB 4.13Å; L625-F643 HydrophobicContact CB-CD2 4.38Å; L625-F643 HydrophobicContact CD1-CB 4.42Å; I626-F643 HydrophobicContact CB-CD2 4.48Å; I626-F643 HydrophobicContact CB-CE2 4.2Å; I626-F643 HydrophobicContact CD1-CE2 4.38Å; I626-F643 HydrophobicContact CD1-CZ 4.12Å; V639-F643 VanDerWaalsContact O-CB 3.25Å; V639-F643 WeakPolarHBondContact O-CB 3.29Å; V639-F643 PolarHBondContact O-N 2.79Å; Y641-F643 VanDerWaalsContact C-N 3.35Å; Y641-F643 PolarHBondContact O-N 3.15Å; F643-I645 PolarHBondContact O-N 2.82Å; F643-I646 PolarHBondContact O-N 2.83Å; F643-T647 HydrophobicContact CD2-CG2 3.86Å; F643-T647 HydrophobicContact CE1-CG2 4.29Å; F643-T647 HydrophobicContact CE2-CG2 3.58Å; F643-T647 HydrophobicContact CG-CG2 4.34Å; F643-T647 HydrophobicContact CZ-CG2 3.8Å; F643-T647 WeakPolarHBondContact O-CB 3.43Å; F643-T647 VanDerWaalsContact O-CG2 3.32Å; F643-T647 WeakPolarHBondContact O-CG2 3.48Å; F643-T647 PolarHBondContact O-N 3.33Å; F643-T647 PolarHBondContact O-OG1 3.32Å |
| 644 | S | 86.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | S407 L640 Y641 I646 T647 S648 | S407-S644 PolarHBondContact OG-OG 3.34Å; L640-S644 VanDerWaalsContact O-CB 3.28Å; L640-S644 WeakPolarHBondContact O-CB 3.47Å; L640-S644 PolarHBondContact O-N 2.92Å; Y641-S644 PolarHBondContact O-N 2.9Å; S644-I646 PolarHBondContact O-N 2.85Å; S644-T647 PolarHBondContact O-OG1 2.94Å; S644-S648 WeakPolarHBondContact O-CB 3.47Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å |
| 645 | I | 87.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 42.9 Ų | 42.9 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.1 | -50 | 177.8 | -67.7 | 165.8 | 0 | 0 | 0 | 110.6 | L406 Y641 F643 S648 F649 | L406-I645 HydrophobicContact CD1-CG1 4.48Å; L406-I645 HydrophobicContact CD2-CD1 4.37Å; L406-I645 HydrophobicContact CD2-CG1 3.6Å; L406-I645 HydrophobicContact CG-CG1 4.38Å; Y641-I645 WeakPolarHBondContact O-CB 3.24Å; Y641-I645 VanDerWaalsContact O-CG1 3.22Å; Y641-I645 WeakPolarHBondContact O-CG1 3.08Å; Y641-I645 PolarHBondContact O-N 2.83Å; F643-I645 PolarHBondContact O-N 2.82Å; I645-S648 PolarHBondContact O-OG 3.24Å; I645-F649 WeakPolarHBondContact O-CB 3.45Å; I645-F649 VanDerWaalsContact O-CD2 3.28Å; I645-F649 WeakPolarHBondContact O-CD2 2.96Å; I645-F649 PolarHBondContact O-N 2.96Å |
| 646 | I | 84.9 | Confident | 84.4 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.9 | -38.4 | -172.7 | -58.6 | 162.5 | 0 | 0 | 0 | 111.5 | P622 L625 L642 F643 S644 Q650 L653 | P622-I646 HydrophobicContact CB-CB 3.79Å; P622-I646 HydrophobicContact CB-CD1 4.06Å; P622-I646 HydrophobicContact CB-CG2 3.32Å; P622-I646 HydrophobicContact CG-CB 4.19Å; P622-I646 HydrophobicContact CG-CD1 4.26Å; P622-I646 HydrophobicContact CG-CG2 3.25Å; L625-I646 HydrophobicContact CD1-CD1 4.23Å; L642-I646 WeakPolarHBondContact O-CD1 3.49Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.42Å; L642-I646 PolarHBondContact O-N 2.96Å; F643-I646 PolarHBondContact O-N 2.83Å; S644-I646 PolarHBondContact O-N 2.85Å; I646-Q650 WeakPolarHBondContact O-CA 3.5Å; I646-Q650 PolarHBondContact O-N 3.47Å; I646-Q650 VanDerWaalsContact O-N 3.16Å; I646-L653 HydrophobicContact CG2-CD1 4.12Å |
| 647 | T | 84.9 | Confident | 84.4 | Confident | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.3 | -44.4 | -179.5 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | W623 F643 S644 F649 Q650 | W623-T647 HydrophobicContact CD2-CG2 4.15Å; W623-T647 HydrophobicContact CZ2-CG2 4.14Å; F643-T647 HydrophobicContact CD2-CG2 3.86Å; F643-T647 HydrophobicContact CE1-CG2 4.29Å; F643-T647 HydrophobicContact CE2-CG2 3.58Å; F643-T647 HydrophobicContact CG-CG2 4.34Å; F643-T647 HydrophobicContact CZ-CG2 3.8Å; F643-T647 WeakPolarHBondContact O-CB 3.43Å; F643-T647 VanDerWaalsContact O-CG2 3.32Å; F643-T647 WeakPolarHBondContact O-CG2 3.48Å; F643-T647 PolarHBondContact O-N 3.33Å; F643-T647 PolarHBondContact O-OG1 3.32Å; S644-T647 PolarHBondContact O-OG1 2.94Å; T647-F649 VanDerWaalsContact C-N 3.31Å; T647-F649 PolarHBondContact O-N 3.27Å; T647-Q650 WeakPolarHBondContact O-CB 3.12Å; T647-Q650 PolarHBondContact O-N 3.07Å; T647-Q650 VanDerWaalsContact O-N 3.15Å |
| 648 | S | 88.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -30.8 | 179 | 64 | 0 | 0 | 0 | 0 | 112.9 | G410 C411 S414 S644 I645 | G410-S648 CarbonylContact C-O 3.59Å; C411-S648 PolarHBondContact N-O 3.41Å; S414-S648 VanDerWaalsContact CB-O 3.24Å; S414-S648 WeakPolarHBondContact CB-O 3.17Å; S644-S648 WeakPolarHBondContact O-CB 3.47Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å; I645-S648 PolarHBondContact O-OG 3.24Å |
| 649 | F | 88.1 | Confident | 83.8 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 21% | 0.211 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 13.1 | 174.7 | -71.5 | -91.2 | 0 | 0 | 0 | 113.5 | L406 V413 I645 T647 G651 F652 L653 | L406-F649 HydrophobicContact CD1-CE2 4.32Å; V413-F649 HydrophobicContact CB-CE1 4.11Å; V413-F649 HydrophobicContact CG1-CD1 4.24Å; V413-F649 HydrophobicContact CG1-CE1 4.04Å; V413-F649 HydrophobicContact CG2-CE1 4.41Å; I645-F649 WeakPolarHBondContact O-CB 3.45Å; I645-F649 VanDerWaalsContact O-CD2 3.28Å; I645-F649 WeakPolarHBondContact O-CD2 2.96Å; I645-F649 PolarHBondContact O-N 2.96Å; T647-F649 VanDerWaalsContact C-N 3.31Å; T647-F649 PolarHBondContact O-N 3.27Å; F649-G651 PolarHBondContact O-N 2.93Å; F649-F652 HydrophobicContact CD1-CB 4.38Å; F649-F652 HydrophobicContact CD1-CD1 4.19Å; F649-F652 WeakPolarHBondContact O-CB 3.26Å; F649-F652 PolarHBondContact O-N 2.96Å; F649-F652 VanDerWaalsContact O-N 3.08Å; F649-L653 WeakPolarHBondContact O-CG 3.39Å; F649-L653 PolarHBondContact O-N 3.41Å |
| 650 | Q | 85.3 | Confident | 83.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.8 | -47.3 | -173.7 | -178.6 | 176.5 | -18.3 | 0 | 0 | 112.5 | M493 I646 T647 F652 L653 I654 | M493-Q650 VanDerWaalsContact CE-NE2 3.29Å; I646-Q650 WeakPolarHBondContact O-CA 3.5Å; I646-Q650 PolarHBondContact O-N 3.47Å; I646-Q650 VanDerWaalsContact O-N 3.16Å; T647-Q650 WeakPolarHBondContact O-CB 3.12Å; T647-Q650 PolarHBondContact O-N 3.07Å; T647-Q650 VanDerWaalsContact O-N 3.15Å; Q650-F652 VanDerWaalsContact C-N 3.31Å; Q650-F652 PolarHBondContact O-N 3.12Å; Q650-L653 PolarHBondContact O-N 3.38Å; Q650-I654 HydrophobicContact CG-CD1 4.01Å; Q650-I654 VanDerWaalsContact O-CG1 3.28Å; Q650-I654 WeakPolarHBondContact O-CG1 3.4Å; Q650-I654 PolarHBondContact O-N 3.29Å |
| 651 | G | 85.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S414 F649 I654 F655 | S414-G651 VanDerWaalsContact OG-CA 3.23Å; S414-G651 WeakPolarHBondContact OG-CA 3.45Å; S414-G651 PolarHBondContact OG-N 3.49Å; S414-G651 VanDerWaalsContact OG-N 3.09Å; F649-G651 PolarHBondContact O-N 2.93Å; G651-I654 PolarHBondContact O-N 3.46Å; G651-F655 WeakPolarHBondContact O-CB 3.42Å; G651-F655 PolarHBondContact O-N 3.5Å |
| 652 | F | 86.5 | Confident | 81.5 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 31% | 0.307 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 175.2 | 177.5 | -107.1 | 0 | 0 | 0 | 112.6 | V413 A417 F649 Q650 I654 F655 I656 | V413-F652 HydrophobicContact CG1-CB 4.36Å; V413-F652 HydrophobicContact CG1-CD2 4.08Å; V413-F652 HydrophobicContact CG1-CG 4.22Å; A417-F652 HydrophobicContact CB-CB 4.29Å; A417-F652 HydrophobicContact CB-CD2 4.11Å; F649-F652 HydrophobicContact CD1-CB 4.38Å; F649-F652 HydrophobicContact CD1-CD1 4.19Å; F649-F652 WeakPolarHBondContact O-CB 3.26Å; F649-F652 PolarHBondContact O-N 2.96Å; F649-F652 VanDerWaalsContact O-N 3.08Å; Q650-F652 VanDerWaalsContact C-N 3.31Å; Q650-F652 PolarHBondContact O-N 3.12Å; F652-I654 VanDerWaalsContact C-N 3.31Å; F652-I654 PolarHBondContact O-N 2.81Å; F652-F655 HydrophobicContact CD2-CD1 4.22Å; F652-F655 HydrophobicContact CE2-CD1 4.36Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 3.18Å; F652-I656 HydrophobicContact CD1-CD1 3.89Å; F652-I656 HydrophobicContact CE1-CD1 3.31Å; F652-I656 HydrophobicContact CE1-CG1 4.31Å; F652-I656 HydrophobicContact CE2-CD1 4.18Å; F652-I656 HydrophobicContact CE2-CG1 4.38Å; F652-I656 HydrophobicContact CZ-CD1 3.49Å; F652-I656 VanDerWaalsContact CZ-CD1 3.49Å; F652-I656 HydrophobicContact CZ-CG1 4.14Å; F652-I656 PolarHBondContact O-N 2.92Å |
| 653 | L | 84.4 | Confident | 80.7 | Confident | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.346 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 175 | -67.1 | 175.5 | 0 | 0 | 0 | 111.3 | V618 I646 F649 Q650 F655 I656 W657 | V618-L653 HydrophobicContact CG1-CB 4.4Å; I646-L653 HydrophobicContact CG2-CD1 4.12Å; F649-L653 WeakPolarHBondContact O-CG 3.39Å; F649-L653 PolarHBondContact O-N 3.41Å; Q650-L653 PolarHBondContact O-N 3.38Å; L653-F655 VanDerWaalsContact C-N 3.35Å; L653-I656 PolarHBondContact O-N 3.49Å; L653-W657 PolarHBondContact O-N 2.69Å; L653-W657 VanDerWaalsContact O-N 3.17Å |
| 654 | I | 79.5 | Confident | 79.7 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.8 | -70.5 | 169.3 | 0 | 0 | 0 | 111.1 | H446 L449 L450 V618 L619 Q650 G651 F652 W657 Y658 | H446-I654 VanDerWaalsContact CE1-CG2 3.41Å; H446-I654 WeakPolarHBondContact CE1-CG2 3.11Å; H446-I654 WeakPolarHBondContact NE2-CG2 3.48Å; L449-I654 HydrophobicContact CD2-CD1 4.12Å; L450-I654 HydrophobicContact CD1-CG2 4.23Å; V618-I654 HydrophobicContact CG1-CG1 4.49Å; L619-I654 HydrophobicContact CD2-CD1 4.23Å; Q650-I654 HydrophobicContact CG-CD1 4.01Å; Q650-I654 VanDerWaalsContact O-CG1 3.28Å; Q650-I654 WeakPolarHBondContact O-CG1 3.4Å; Q650-I654 PolarHBondContact O-N 3.29Å; G651-I654 PolarHBondContact O-N 3.46Å; F652-I654 VanDerWaalsContact C-N 3.31Å; F652-I654 PolarHBondContact O-N 2.81Å; I654-W657 WeakPolarHBondContact O-CB 3.18Å; I654-W657 PolarHBondContact O-N 3.01Å; I654-Y658 PolarHBondContact O-N 3.13Å |
| 655 | F | 80.7 | Confident | 78.6 | Confident | 49 Ų | 49 | 50 Ų | 50 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 176.6 | 164.3 | -127 | 0 | 0 | 0 | 113 | A417 T421 G651 F652 L653 W657 Y658 W659 | A417-F655 HydrophobicContact CB-CB 4.06Å; A417-F655 HydrophobicContact CB-CD1 4.09Å; A417-F655 HydrophobicContact CB-CG 4.27Å; T421-F655 HydrophobicContact CG2-CB 3.9Å; T421-F655 HydrophobicContact CG2-CD2 3Å; T421-F655 HydrophobicContact CG2-CE2 3.67Å; T421-F655 HydrophobicContact CG2-CG 3.79Å; G651-F655 WeakPolarHBondContact O-CB 3.42Å; G651-F655 PolarHBondContact O-N 3.5Å; F652-F655 HydrophobicContact CD2-CD1 4.22Å; F652-F655 HydrophobicContact CE2-CD1 4.36Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 3.18Å; L653-F655 VanDerWaalsContact C-N 3.35Å; F655-W657 PolarHBondContact O-N 3.24Å; F655-Y658 PolarHBondContact O-N 3.03Å; F655-W659 HydrophobicContact CE2-CB 4.48Å; F655-W659 HydrophobicContact CE2-CE3 4.43Å; F655-W659 PolarHBondContact O-N 3.19Å |
| 656 | I | 81.4 | Confident | 77.3 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 43% | 0.431 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.2 | -43.8 | 178.4 | -70.1 | 168.1 | 0 | 0 | 0 | 110.1 | F652 L653 W659 S660 | F652-I656 HydrophobicContact CD1-CD1 3.89Å; F652-I656 HydrophobicContact CE1-CD1 3.31Å; F652-I656 HydrophobicContact CE1-CG1 4.31Å; F652-I656 HydrophobicContact CE2-CD1 4.18Å; F652-I656 HydrophobicContact CE2-CG1 4.38Å; F652-I656 HydrophobicContact CZ-CD1 3.49Å; F652-I656 VanDerWaalsContact CZ-CD1 3.49Å; F652-I656 HydrophobicContact CZ-CG1 4.14Å; F652-I656 PolarHBondContact O-N 2.92Å; L653-I656 PolarHBondContact O-N 3.49Å; I656-W659 PolarHBondContact O-N 2.8Å; I656-S660 WeakPolarHBondContact O-CB 3.41Å; I656-S660 PolarHBondContact O-N 2.95Å |
| 657 | W | 76.6 | Confident | 75.7 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -49 | 177.9 | 177.4 | 88.5 | 0 | 0 | 0 | 112.3 | H446 L615 L653 I654 F655 W659 S660 M661 | H446-W657 AromaticContact CE1-CE3 3.95Å; H446-W657 AromaticContact CE1-CZ3 3.77Å; H446-W657 AromaticContact NE2-CE3 3.76Å; H446-W657 AromaticContact NE2-CZ3 3.65Å; L615-W657 HydrophobicContact CD1-CD2 3.21Å; L615-W657 HydrophobicContact CD1-CE3 3.39Å; L615-W657 HydrophobicContact CD1-CG 3.85Å; L615-W657 HydrophobicContact CD1-CH2 3.56Å; L615-W657 HydrophobicContact CD1-CZ2 3.4Å; L615-W657 VanDerWaalsContact CD1-CZ2 3.4Å; L615-W657 HydrophobicContact CD1-CZ3 3.55Å; L653-W657 PolarHBondContact O-N 2.69Å; L653-W657 VanDerWaalsContact O-N 3.17Å; I654-W657 WeakPolarHBondContact O-CB 3.18Å; I654-W657 PolarHBondContact O-N 3.01Å; F655-W657 PolarHBondContact O-N 3.24Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 3.18Å; W657-S660 WeakPolarHBondContact O-CB 3.34Å; W657-S660 PolarHBondContact O-N 3.07Å; W657-M661 HydrophobicContact CD2-CG 4.13Å; W657-M661 HydrophobicContact CH2-CG 4.14Å; W657-M661 HydrophobicContact CZ2-CE 4.3Å; W657-M661 HydrophobicContact CZ2-CG 3.62Å; W657-M661 HydrophobicContact CZ2-SD 4.27Å; W657-M661 PolarHBondContact O-N 2.71Å |
| 658 | Y | 74.7 | Confident | 73.7 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 178.9 | 177.1 | -98.4 | 0 | 0 | 0 | 111.6 | T421 M447 I654 F655 M661 R662 | T421-Y658 HydrophobicContact CG2-CD1 4.42Å; M447-Y658 HydrophobicContact CE-CD2 4.43Å; M447-Y658 HydrophobicContact CE-CE2 4.09Å; I654-Y658 PolarHBondContact O-N 3.13Å; F655-Y658 PolarHBondContact O-N 3.03Å; Y658-M661 PolarHBondContact O-N 2.77Å; Y658-R662 HydrophobicContact CD1-CG 4.29Å; Y658-R662 HydrophobicContact CE1-CG 3.85Å; Y658-R662 HydrophobicContact CE2-CG 4.39Å; Y658-R662 WeakPolarHBondContact O-CG 3.32Å; Y658-R662 PolarHBondContact O-N 2.9Å; Y658-R662 PolarHBondContact OH-NE 3.03Å; Y658-R662 PolarHBondContact OH-NH1 2.92Å |
| 659 | W | 74.6 | Confident | 71.2 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 178.6 | -161.4 | -104.9 | 0 | 0 | 0 | 111.9 | F655 I656 W657 M661 R662 L663 | F655-W659 HydrophobicContact CE2-CB 4.48Å; F655-W659 HydrophobicContact CE2-CE3 4.43Å; F655-W659 PolarHBondContact O-N 3.19Å; I656-W659 PolarHBondContact O-N 2.8Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 3.18Å; W659-M661 VanDerWaalsContact C-N 3.32Å; W659-M661 PolarHBondContact O-N 3.08Å; W659-R662 PolarHBondContact O-N 3.36Å; W659-R662 VanDerWaalsContact O-N 3.16Å; W659-L663 VanDerWaalsContact CD1-CD1 3.46Å; W659-L663 HydrophobicContact CG-CD1 4.49Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 WeakPolarHBondContact O-CG 3.49Å; W659-L663 PolarHBondContact O-N 3Å |
| 660 | S | 71.7 | Confident | 68.5 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | I656 W657 R662 L663 Q664 | I656-S660 WeakPolarHBondContact O-CB 3.41Å; I656-S660 PolarHBondContact O-N 2.95Å; W657-S660 WeakPolarHBondContact O-CB 3.34Å; W657-S660 PolarHBondContact O-N 3.07Å; S660-R662 PolarHBondContact O-N 3.22Å; S660-L663 PolarHBondContact O-N 2.94Å; S660-Q664 WeakPolarHBondContact O-CB 3.4Å; S660-Q664 VanDerWaalsContact O-CG 3.29Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.47Å; S660-Q664 PolarHBondContact OG-NE2 3.12Å; S660-Q664 VanDerWaalsContact OG-NE2 3.12Å |
| 661 | M | 68.6 | Low | 66.5 | Low | 68 Ų | 68 | 70.7 Ų | 70.7 | 34% | 0.335 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.6 | -73.9 | -67.4 | -72.9 | 0 | 0 | 112.8 | T611 W657 Y658 W659 A665 | T611-M661 HydrophobicContact CG2-SD 4.26Å; W657-M661 HydrophobicContact CD2-CG 4.13Å; W657-M661 HydrophobicContact CH2-CG 4.14Å; W657-M661 HydrophobicContact CZ2-CE 4.3Å; W657-M661 HydrophobicContact CZ2-CG 3.62Å; W657-M661 HydrophobicContact CZ2-SD 4.27Å; W657-M661 PolarHBondContact O-N 2.71Å; Y658-M661 PolarHBondContact O-N 2.77Å; W659-M661 VanDerWaalsContact C-N 3.32Å; W659-M661 PolarHBondContact O-N 3.08Å; M661-A665 WeakPolarHBondContact O-CB 3.35Å; M661-A665 PolarHBondContact O-N 3.23Å |
| 662 | R | 69.5 | Low | 64.1 | Low | 59 Ų | 59 | 78.4 Ų | 78.4 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 174.9 | -75.8 | -118.2 | -89.6 | -153.1 | -8 | 111.8 | A424 S428 Y658 W659 S660 A665 R666 | A424-R662 PolarHBondContact O-NH2 2.83Å; S428-R662 PolarHBondContact OG-NH1 3.09Å; Y658-R662 HydrophobicContact CD1-CG 4.29Å; Y658-R662 HydrophobicContact CE1-CG 3.85Å; Y658-R662 HydrophobicContact CE2-CG 4.39Å; Y658-R662 WeakPolarHBondContact O-CG 3.32Å; Y658-R662 PolarHBondContact O-N 2.9Å; Y658-R662 PolarHBondContact OH-NE 3.03Å; Y658-R662 PolarHBondContact OH-NH1 2.92Å; W659-R662 PolarHBondContact O-N 3.36Å; W659-R662 VanDerWaalsContact O-N 3.16Å; S660-R662 PolarHBondContact O-N 3.22Å; R662-A665 PolarHBondContact O-N 3.37Å; R662-R666 PolarHBondContact O-N 3.04Å; R662-R666 VanDerWaalsContact O-N 3.16Å |
| 663 | L | 69.4 | Low | 61.4 | Low | 88 Ų | 88 | 84.6 Ų | 84.6 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 175.8 | -71.7 | 175.6 | 0 | 0 | 0 | 111.5 | W659 S660 A665 R666 G667 | W659-L663 VanDerWaalsContact CD1-CD1 3.46Å; W659-L663 HydrophobicContact CG-CD1 4.49Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 WeakPolarHBondContact O-CG 3.49Å; W659-L663 PolarHBondContact O-N 3Å; S660-L663 PolarHBondContact O-N 2.94Å; L663-A665 VanDerWaalsContact C-N 3.28Å; L663-A665 PolarHBondContact O-N 2.79Å; L663-R666 PolarHBondContact O-N 3.3Å; L663-G667 PolarHBondContact O-N 3.44Å |
| 664 | Q | 66.2 | Low | 59 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 33% | 0.332 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 175.1 | -72.9 | 176.9 | 45.6 | 0 | 0 | 112.1 | S660 R666 G667 G668 | S660-Q664 WeakPolarHBondContact O-CB 3.4Å; S660-Q664 VanDerWaalsContact O-CG 3.29Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.47Å; S660-Q664 PolarHBondContact OG-NE2 3.12Å; S660-Q664 VanDerWaalsContact OG-NE2 3.12Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 3.44Å; Q664-G667 PolarHBondContact O-N 3.44Å; Q664-G668 PolarHBondContact O-N 3.43Å |
| 665 | A | 62.3 | Low | 56.6 | Low | 58 Ų | 58 | 94.2 Ų | 94.2 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M661 R662 L663 | M661-A665 WeakPolarHBondContact O-CB 3.35Å; M661-A665 PolarHBondContact O-N 3.23Å; R662-A665 PolarHBondContact O-N 3.37Å; L663-A665 VanDerWaalsContact C-N 3.28Å; L663-A665 PolarHBondContact O-N 2.79Å |
| 666 | R | 61.2 | Low | 54.3 | Low | 191 Ų | 191 | 97 Ų | 97 | 72% | 0.721 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -84.8 | -33.2 | 174.1 | -75.8 | 179.2 | 177.5 | 174.5 | -1 | 112.7 | R662 L663 Q664 | R662-R666 PolarHBondContact O-N 3.04Å; R662-R666 VanDerWaalsContact O-N 3.16Å; L663-R666 PolarHBondContact O-N 3.3Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 3.44Å |
| 667 | G | 50.5 | Low | 52.1 | Low | 65 Ų | 65 | 100.7 Ų | 100.7 | 67% | 0.67 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -82.5 | -4.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L663 Q664 | L663-G667 PolarHBondContact O-N 3.44Å; Q664-G667 PolarHBondContact O-N 3.44Å |
| 668 | G | 43 | Very low | 50 | Low | 43 Ų | 43 | 103.6 Ų | 103.6 | 44% | 0.443 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -63.1 | 127.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q664 S670 | Q664-G668 PolarHBondContact O-N 3.43Å; G668-S670 PolarHBondContact O-N 3.04Å |
| 669 | P | 36.3 | Very low | 48.3 | Very low | 125 Ų | 125 | 107.5 Ų | 107.5 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -59.8 | 123.5 | -172.3 | 21.5 | -31.4 | 0 | 0 | 0 | 110.8 | P671 | P669-P671 VanDerWaalsContact O-CD 3.29Å; P669-P671 WeakPolarHBondContact O-CD 3.4Å | ||
| 670 | S | 30.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | trans | -73.9 | 111.6 | 160.4 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | G668 L672 | G668-S670 PolarHBondContact O-N 3.04Å; S670-L672 PolarHBondContact O-N 3.04Å | ||
| 671 | P | 43.1 | Very low | 44.1 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 81% | 0.805 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -79.4 | 29.3 | -179.3 | 29.5 | -25.3 | 0 | 0 | 0 | 113 | P669 | P669-P671 VanDerWaalsContact O-CD 3.29Å; P669-P671 WeakPolarHBondContact O-CD 3.4Å |
| 672 | L | 36.6 | Very low | 42.6 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -146.6 | 59.3 | 174.7 | -89.8 | 116.8 | 0 | 0 | 0 | 110.6 | S670 | S670-L672 PolarHBondContact O-N 3.04Š|
| 673 | K | 30 | Very low | 40.8 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | -153.2 | 54 | 155.9 | -127.8 | 178.8 | -175.7 | -176.9 | 0 | 111 | ||||
| 674 | S | 32.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -136.3 | 52.1 | 156.9 | 73.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 675 | N | 29.4 | Very low | 37.7 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -102.1 | 93.4 | 152.5 | -93.4 | 8.5 | 0 | 0 | 0 | 105.4 | ||||
| 676 | S | 33 | Very low | 36.3 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 170.3 | 73.8 | 155.4 | -71.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 677 | D | 34.9 | Very low | 35.2 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | -154.9 | 106.6 | 127.7 | -94.7 | -23.9 | 0 | 0 | 0 | 108.1 | A679 | D677-A679 PolarHBondContact O-N 3.49Š| |||
| 678 | S | 33.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -50.1 | 82.7 | 166 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | R680 | S678-R680 VanDerWaalsContact C-N 3.3Å; S678-R680 PolarHBondContact O-N 3.19Å; S678-R680 VanDerWaalsContact O-N 3.16Å | ||
| 679 | A | 37.6 | Very low | 34 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -78 | 93.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107 | D677 L681 | D677-A679 PolarHBondContact O-N 3.49Å; A679-L681 PolarHBondContact O-N 3.08Å | ||
| 680 | R | 31.7 | Very low | 33.8 | Very low | 224 Ų | 224 | 130.3 Ų | 130.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -38.9 | 128.5 | 173.3 | -69.6 | 168.7 | 169.6 | 159.1 | -4.2 | 112.3 | S678 | S678-R680 VanDerWaalsContact C-N 3.3Å; S678-R680 PolarHBondContact O-N 3.19Å; S678-R680 VanDerWaalsContact O-N 3.16Å | ||
| 681 | L | 27.8 | Very low | 34.1 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | 22.5 | 125.8 | 137.1 | -68 | 156.5 | 0 | 0 | 0 | 117.5 | A679 I683 | A679-L681 PolarHBondContact O-N 3.08Å; L681-I683 HydrophobicContact CB-CG1 4.46Å; L681-I683 HydrophobicContact CD2-CG1 4.02Å | ||
| 682 | P | 35.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -107.1 | 110.7 | 127 | 26.6 | -16 | 0 | 0 | 0 | 108.6 | S684 | P682-S684 PolarHBondContact O-N 3.13Š| |||
| 683 | I | 32.7 | Very low | 33.9 | Very low | 143 Ų | 143 | 140 Ų | 140 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -64 | 99.4 | 162.3 | -62.5 | 168.4 | 0 | 0 | 0 | 105.7 | L681 | L681-I683 HydrophobicContact CB-CG1 4.46Å; L681-I683 HydrophobicContact CD2-CG1 4.02Å | ||
| 684 | S | 35.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -90.2 | 106.9 | 161.2 | -170.3 | 0 | 0 | 0 | 0 | 107.4 | P682 | P682-S684 PolarHBondContact O-N 3.13Š| ||
| 685 | S | 34.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -52.6 | 124.6 | 174.1 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 686 | G | 33.5 | Very low | 34.4 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 24.3 | 124.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 687 | S | 37.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | 179.6 | 94.4 | 101.7 | 41.3 | 0 | 0 | 0 | 0 | 108.9 | S689 | S687-S689 PolarHBondContact O-N 2.94Å; S687-S689 VanDerWaalsContact O-N 3.13Å | |||
| 688 | T | 36.6 | Very low | 34.5 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -69.7 | 104.1 | 159.3 | 33.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 689 | S | 32.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -33.7 | 136.9 | 140.3 | 158 | 0 | 0 | 0 | 0 | 111.5 | S687 | S687-S689 PolarHBondContact O-N 2.94Å; S687-S689 VanDerWaalsContact O-N 3.13Å | ||
| 690 | S | 31.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 127.6 | 93.6 | 148.2 | -162 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 691 | S | 36.5 | Very low | 34.5 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -152.9 | 97.4 | 139.2 | 57 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 692 | R | 33.4 | Very low | 35.1 | Very low | 226 Ų | 226 | 134.9 Ų | 134.9 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | 55.6 | 103.7 | 95.9 | -77.8 | -168.1 | -168.8 | 178.6 | 4.2 | 112.8 | |||||
| 693 | I | 40.9 | Very low | 35 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 100% | 1.251 | 83% | 0.827 | S | S | * | * | trans | 66.1 | 0 | 152.5 | -54.3 | 175.4 | 0 | 0 | 0 | 115.5 |
Retrieved 693 of 693 residues in 1812.5 ms
(Link to these results)