| 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 | 38.2 | Very low | 42.2 | Very low | 238 Ų | 238 | 123.9 Ų | 123.9 | 100% | 1.172 | 72% | 0.717 | S | S | * | * | 0 | 96.3 | 0 | -71.2 | 166.3 | 71.4 | 0 | 0 | 107.7 | |||||
| 2 | T | 35.7 | Very low | 42.7 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | trans | -149.9 | 83.4 | -174.5 | 42.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 38.5 | Very low | 43.1 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -102.5 | 95.5 | 170.4 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | L | 37.2 | Very low | 43.7 | Very low | 144 Ų | 144 | 115.9 Ų | 115.9 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | -66.8 | 147 | 168.9 | -108.6 | 70.2 | 0 | 0 | 0 | 110.1 | I6 | L4-I6 PolarHBondContact O-N 3.28Š| ||
| 5 | P | 47.4 | Very low | 43.8 | Very low | 93 Ų | 93 | 113.5 Ų | 113.5 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | trans | -79 | 92.6 | -176.1 | 31.9 | -34.4 | 0 | 0 | 0 | 111.6 | G7 L8 | P5-G7 PolarHBondContact O-N 3.28Å; P5-G7 VanDerWaalsContact O-N 3.1Å; P5-L8 PolarHBondContact O-N 3.09Å | ||
| 6 | I | 46.9 | Very low | 43.7 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 67% | 0.672 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -58.7 | -20.9 | 174.5 | -67.2 | 167.7 | 0 | 0 | 0 | 112.2 | L4 L8 L10 | L4-I6 PolarHBondContact O-N 3.28Å; I6-L8 PolarHBondContact O-N 2.77Å; I6-L10 HydrophobicContact CG2-CD1 3.93Å |
| 7 | G | 42.8 | Very low | 43.8 | Very low | 56 Ų | 56 | 114.2 Ų | 114.2 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.8 | -30.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | P5 G11 | P5-G7 PolarHBondContact O-N 3.28Å; P5-G7 VanDerWaalsContact O-N 3.1Å; G7-G11 PolarHBondContact O-N 3.45Å; G7-G11 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 44.4 | Very low | 43.9 | Very low | 137 Ų | 137 | 112.7 Ų | 112.7 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.2 | -37.1 | -177.3 | -105.3 | 86.9 | 0 | 0 | 0 | 113 | P5 I6 A12 | P5-L8 PolarHBondContact O-N 3.09Å; I6-L8 PolarHBondContact O-N 2.77Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.82Å |
| 9 | L | 42.5 | Very low | 43.6 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.1 | -37.4 | 178.9 | -92.8 | 120 | 0 | 0 | 0 | 112.3 | L13 | L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 PolarHBondContact O-N 3.24Å |
| 10 | L | 45.9 | Very low | 43.2 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 56% | 0.56 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.7 | -40.8 | 174.6 | -88.9 | 147.8 | 0 | 0 | 0 | 112.1 | I6 L13 V14 | I6-L10 HydrophobicContact CG2-CD1 3.93Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-V14 WeakPolarHBondContact O-CB 3.21Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 2.87Å |
| 11 | G | 44.2 | Very low | 43 | Very low | 38 Ų | 38 | 115.3 Ų | 115.3 | 39% | 0.392 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -61.6 | -45.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G7 V14 C15 | G7-G11 PolarHBondContact O-N 3.45Å; G7-G11 VanDerWaalsContact O-N 3.15Å; G11-V14 PolarHBondContact O-N 3.46Å; G11-C15 WeakPolarHBondContact O-CB 3.19Å; G11-C15 PolarHBondContact O-N 3.34Å; G11-C15 PolarHBondContact O-SG 3.06Å; G11-C15 VanDerWaalsContact O-SG 3.42Å |
| 12 | A | 48.8 | Very low | 42.9 | Very low | 63 Ų | 63 | 113.9 Ų | 113.9 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 C15 F16 | L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.82Å; A12-C15 PolarHBondContact O-N 2.91Å; A12-F16 WeakPolarHBondContact O-CB 3.44Å; A12-F16 PolarHBondContact O-N 3.45Å |
| 13 | L | 47.6 | Very low | 43 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 59% | 0.592 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 179.4 | -155.3 | 85.8 | 0 | 0 | 0 | 112 | L9 L10 F16 I17 | L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 PolarHBondContact O-N 3.24Å; L10-L13 PolarHBondContact O-N 3.17Å; L13-F16 PolarHBondContact O-N 3.5Å; L13-I17 HydrophobicContact CD2-CD1 4.34Å; L13-I17 HydrophobicContact CG-CD1 4.29Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.46Å |
| 14 | V | 51.5 | Low | 43.1 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.8 | -41 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | L10 G11 F16 I17 V18 | L10-V14 WeakPolarHBondContact O-CB 3.21Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 2.87Å; G11-V14 PolarHBondContact O-N 3.46Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.12Å; V14-I17 PolarHBondContact O-N 3.4Å; V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CB 3.46Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.42Å; V14-V18 PolarHBondContact O-N 2.02Å |
| 15 | C | 44.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 110.1 Ų | 110.1 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.9 | -40.2 | 171.9 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | G11 A12 V18 F19 | G11-C15 WeakPolarHBondContact O-CB 3.19Å; G11-C15 PolarHBondContact O-N 3.34Å; G11-C15 PolarHBondContact O-SG 3.06Å; G11-C15 VanDerWaalsContact O-SG 3.42Å; A12-C15 PolarHBondContact O-N 2.91Å; C15-V18 PolarHBondContact O-N 3.41Å; C15-F19 WeakPolarHBondContact O-CD2 3.39Å; C15-F19 PolarHBondContact O-N 2.82Å |
| 16 | F | 42.9 | Very low | 43.3 | Very low | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.8 | -37.1 | 178.1 | -140.4 | -94.5 | 0 | 0 | 0 | 112.2 | A12 L13 V14 F19 L20 | A12-F16 WeakPolarHBondContact O-CB 3.44Å; A12-F16 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.5Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.12Å; F16-F19 PolarHBondContact O-N 2.94Å; F16-L20 HydrophobicContact CD1-CD1 3.68Å; F16-L20 HydrophobicContact CD1-CG 4.12Å; F16-L20 HydrophobicContact CE1-CD1 4Å; F16-L20 HydrophobicContact CE1-CG 4.33Å; F16-L20 WeakPolarHBondContact O-CB 3.24Å; F16-L20 VanDerWaalsContact O-CG 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.03Å; F16-L20 PolarHBondContact O-N 2.86Å |
| 17 | I | 45.6 | Very low | 43.7 | Very low | 93 Ų | 93 | 107.8 Ų | 107.8 | 48% | 0.477 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.1 | -41 | 173.2 | -69.1 | 165.4 | 0 | 0 | 0 | 110.8 | L13 V14 F19 L20 V21 | L13-I17 HydrophobicContact CD2-CD1 4.34Å; L13-I17 HydrophobicContact CG-CD1 4.29Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.46Å; V14-I17 PolarHBondContact O-N 3.4Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 2.92Å; I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.19Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 3.37Å |
| 18 | V | 45.4 | Very low | 44.4 | Very low | 87 Ų | 87 | 112.2 Ų | 112.2 | 53% | 0.527 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.1 | -33.4 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | V14 C15 R22 | V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CB 3.46Å; V14-V18 VanDerWaalsContact O-CG2 3.3Å; V14-V18 WeakPolarHBondContact O-CG2 3.42Å; V14-V18 PolarHBondContact O-N 2.02Å; C15-V18 PolarHBondContact O-N 3.41Å; V18-R22 PolarHBondContact O-N 2.98Å |
| 19 | F | 38 | Very low | 45.1 | Very low | 169 Ų | 169 | 106.8 Ų | 106.8 | 74% | 0.741 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.5 | -38.9 | 172.3 | -96.1 | -87 | 0 | 0 | 0 | 112.9 | C15 F16 I17 R22 | C15-F19 WeakPolarHBondContact O-CD2 3.39Å; C15-F19 PolarHBondContact O-N 2.82Å; F16-F19 PolarHBondContact O-N 2.94Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.14Å; F19-R22 PolarHBondContact O-N 3.3Å |
| 20 | L | 36.1 | Very low | 46.2 | Very low | 117 Ų | 117 | 104.1 Ų | 104.1 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.3 | -29.1 | 176.8 | -74.9 | 172.2 | 0 | 0 | 0 | 113.3 | F16 I17 R22 | F16-L20 HydrophobicContact CD1-CD1 3.68Å; F16-L20 HydrophobicContact CD1-CG 4.12Å; F16-L20 HydrophobicContact CE1-CD1 4Å; F16-L20 HydrophobicContact CE1-CG 4.33Å; F16-L20 WeakPolarHBondContact O-CB 3.24Å; F16-L20 VanDerWaalsContact O-CG 3.3Å; F16-L20 WeakPolarHBondContact O-CG 3.03Å; F16-L20 PolarHBondContact O-N 2.86Å; I17-L20 PolarHBondContact O-N 2.92Å; L20-R22 PolarHBondContact O-N 3.46Å |
| 21 | V | 38.4 | Very low | 47.7 | Very low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -11.5 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | I17 | I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.19Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 3.37Å |
| 22 | R | 36.3 | Very low | 49.6 | Very low | 207 Ų | 207 | 102.7 Ų | 102.7 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 5.7 | 178.4 | -123.3 | 179 | -174.3 | -176.4 | 0.4 | 115.4 | V18 F19 L20 E24 | V18-R22 PolarHBondContact O-N 2.98Å; F19-R22 PolarHBondContact O-N 3.3Å; L20-R22 PolarHBondContact O-N 3.46Å; R22-E24 PolarHBondContact O-N 3.49Å; R22-E24 VanDerWaalsContact O-N 3.11Å |
| 23 | A | 36.9 | Very low | 51.3 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | trans | -80.8 | 54.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A25 | A23-A25 PolarHBondContact O-N 2.94Š| ||
| 24 | E | 41 | Very low | 53 | Low | 162 Ų | 162 | 101.5 Ų | 101.5 | 76% | 0.757 | 54% | 0.541 | S | S | * | . | trans | -62.1 | 118.4 | 161.4 | -73.7 | 177.5 | 135.4 | 0 | 0 | 106.1 | R22 Q26 | R22-E24 PolarHBondContact O-N 3.49Å; R22-E24 VanDerWaalsContact O-N 3.11Å; E24-Q26 PolarHBondContact O-N 2.91Å | ||
| 25 | A | 43.8 | Very low | 54.6 | Low | 94 Ų | 94 | 99 Ų | 99 | 78% | 0.777 | 53% | 0.527 | S | S | * | . | trans | -58.7 | 110.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | A23 | A23-A25 PolarHBondContact O-N 2.94Š| ||
| 26 | Q | 44.9 | Very low | 56.6 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | trans | -48.9 | 133.2 | 177.1 | -75.5 | 168.7 | -69.1 | 0 | 0 | 108.1 | E24 F28 Q31 | E24-Q26 PolarHBondContact O-N 2.91Å; Q26-F28 PolarHBondContact O-N 3.39Å; Q26-Q31 HydrophobicContact CB-CG 3.82Å | ||
| 27 | P | 55.5 | Low | 58.6 | Low | 85 Ų | 85 | 92.1 Ų | 92.1 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | trans | -55.3 | 137.2 | 177.8 | 21.5 | -29.9 | 0 | 0 | 0 | 108.4 | G29 E30 | P27-G29 PolarHBondContact O-N 3.49Å; P27-E30 HydrophobicContact CG-CG 4.17Å; P27-E30 PolarHBondContact O-N 2.88Å | ||
| 28 | F | 57.1 | Low | 60.6 | Low | 149 Ų | 149 | 92.2 Ų | 92.2 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -46.4 | -32.1 | -173.2 | 173.6 | -96.3 | 0 | 0 | 0 | 114.3 | Q26 E30 C32 C74 | Q26-F28 PolarHBondContact O-N 3.39Å; F28-E30 VanDerWaalsContact C-N 3.32Å; F28-E30 PolarHBondContact O-N 2.87Å; F28-C32 WeakPolarHBondContact O-CB 3.3Å; F28-C32 PolarHBondContact O-N 2.9Å; F28-C32 VanDerWaalsContact O-N 3.13Å; F28-C74 WeakPolarHBondContact CE1-O 3.45Å |
| 29 | G | 59.6 | Low | 62.2 | Low | 23 Ų | 23 | 88.3 Ų | 88.3 | 24% | 0.237 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -73.9 | -5.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | P27 L33 | P27-G29 PolarHBondContact O-N 3.49Å; G29-L33 VanDerWaalsContact O-CD1 3.31Å; G29-L33 WeakPolarHBondContact O-CD1 3.26Å; G29-L33 VanDerWaalsContact O-CG 3.3Å; G29-L33 WeakPolarHBondContact O-CG 3.48Å |
| 30 | E | 66.9 | Low | 64.2 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -94.2 | -48.8 | 168 | -72.6 | -169 | 164.8 | 0 | 0 | 111.1 | P27 F28 C32 L33 D34 | P27-E30 HydrophobicContact CG-CG 4.17Å; P27-E30 PolarHBondContact O-N 2.88Å; F28-E30 VanDerWaalsContact C-N 3.32Å; F28-E30 PolarHBondContact O-N 2.87Å; E30-C32 PolarHBondContact O-N 3.41Å; E30-C32 VanDerWaalsContact O-N 3.16Å; E30-L33 WeakPolarHBondContact O-CB 3.37Å; E30-L33 PolarHBondContact O-N 3.34Å; E30-D34 PolarHBondContact O-N 2.91Å |
| 31 | Q | 77.4 | Confident | 66.6 | Low | 106 Ų | 106 | 83.6 Ų | 83.6 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.8 | -31.4 | 175.2 | -67.4 | -176.6 | -21 | 0 | 0 | 112.9 | Q26 | Q26-Q31 HydrophobicContact CB-CG 3.82Å |
| 32 | C | 82.6 | Confident | 69 | Low | 10 Ų | 10 | 80.8 Ų | 80.8 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -27.9 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | F28 E30 D34 S35 F36 C74 | F28-C32 WeakPolarHBondContact O-CB 3.3Å; F28-C32 PolarHBondContact O-N 2.9Å; F28-C32 VanDerWaalsContact O-N 3.13Å; E30-C32 PolarHBondContact O-N 3.41Å; E30-C32 VanDerWaalsContact O-N 3.16Å; C32-D34 VanDerWaalsContact C-N 3.27Å; C32-D34 PolarHBondContact O-N 3.42Å; C32-S35 PolarHBondContact O-N 3.5Å; C32-S35 VanDerWaalsContact O-N 3.14Å; C32-S35 PolarHBondContact O-OG 3.49Å; C32-F36 WeakPolarHBondContact O-CD2 3.35Å; C32-C74 HydrophobicContact CB-CB 3.75Å; C32-C74 WeakPolarHBondContact CB-SG 3.13Å; C32-C74 VanDerWaalsContact SG-CA 3.58Å; C32-C74 WeakPolarHBondContact SG-CB 3.25Å; C32-C74 CovalentContact SG-SG 2.03Å; C32-C74 PolarHBondContact SG-SG 2.77Å |
| 33 | L | 84.3 | Confident | 71.5 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -63.3 | -37.4 | 174.8 | -78.2 | 165.3 | 0 | 0 | 0 | 111.3 | G29 E30 S35 F36 N67 I70 R71 | G29-L33 VanDerWaalsContact O-CD1 3.31Å; G29-L33 WeakPolarHBondContact O-CD1 3.26Å; G29-L33 VanDerWaalsContact O-CG 3.3Å; G29-L33 WeakPolarHBondContact O-CG 3.48Å; E30-L33 WeakPolarHBondContact O-CB 3.37Å; E30-L33 PolarHBondContact O-N 3.34Å; L33-S35 PolarHBondContact O-N 3.31Å; L33-F36 PolarHBondContact O-N 2.93Å; L33-N67 HydrophobicContact CD1-CB 4.5Å; L33-N67 HydrophobicContact CD2-CB 4.29Å; L33-I70 HydrophobicContact CD2-CB 3.64Å; L33-I70 HydrophobicContact CD2-CD1 4Å; L33-I70 HydrophobicContact CD2-CG1 4.45Å; L33-I70 HydrophobicContact CD2-CG2 3.69Å; L33-R71 HydrophobicContact CD1-CG 4.38Å; L33-R71 HydrophobicContact CG-CG 4.42Å |
| 34 | D | 84.3 | Confident | 74 | Confident | 122 Ų | 122 | 67 Ų | 67 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -67 | -13.9 | 177.4 | -60.5 | -26.8 | 0 | 0 | 0 | 113 | E30 C32 | E30-D34 PolarHBondContact O-N 2.91Å; C32-D34 VanDerWaalsContact C-N 3.27Å; C32-D34 PolarHBondContact O-N 3.42Å |
| 35 | S | 85.7 | Confident | 76.4 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -95.1 | 15.9 | 178.2 | 73.5 | 0 | 0 | 0 | 0 | 114.8 | C32 L33 R122 D123 | C32-S35 PolarHBondContact O-N 3.5Å; C32-S35 VanDerWaalsContact O-N 3.14Å; C32-S35 PolarHBondContact O-OG 3.49Å; L33-S35 PolarHBondContact O-N 3.31Å; S35-R122 VanDerWaalsContact O-CA 3.3Å; S35-R122 WeakPolarHBondContact O-CA 3.38Å; S35-R122 VanDerWaalsContact O-CG 3.25Å; S35-R122 WeakPolarHBondContact O-CG 3.46Å; S35-R122 PolarHBondContact OG-NH1 2.53Å; S35-D123 VanDerWaalsContact CA-OD2 3.3Å; S35-D123 WeakPolarHBondContact CA-OD2 3.23Å; S35-D123 PolarHBondContact O-N 3.36Å; S35-D123 VanDerWaalsContact O-N 3.17Å; S35-D123 VanDerWaalsContact O-OD1 3.1Å |
| 36 | F | 86.9 | Confident | 78.7 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 107.6 | 177.9 | -81.9 | -94.9 | 0 | 0 | 0 | 111.4 | C32 L33 I70 C73 Y120 I121 R122 D123 | C32-F36 WeakPolarHBondContact O-CD2 3.35Å; L33-F36 PolarHBondContact O-N 2.93Å; F36-I70 HydrophobicContact CB-CG2 4.09Å; F36-I70 HydrophobicContact CD1-CG2 4.32Å; F36-I70 HydrophobicContact CD2-CG2 3.57Å; F36-I70 HydrophobicContact CE2-CG2 4.03Å; F36-I70 HydrophobicContact CG-CG2 3.74Å; F36-C73 HydrophobicContact CZ-CB 4.13Å; F36-C73 WeakPolarHBondContact CZ-SG 3.48Å; F36-Y120 HydrophobicContact CB-CD1 4.41Å; F36-I121 CarbonylContact C-O 3.42Å; F36-I121 WeakPolarHBondContact CA-O 3.24Å; F36-R122 HydrophobicContact CD1-CB 4.2Å; F36-R122 HydrophobicContact CE1-CB 3.86Å; F36-R122 HydrophobicContact CE2-CB 4.43Å; F36-R122 HydrophobicContact CE2-CG 4.33Å; F36-R122 HydrophobicContact CZ-CB 3.97Å; F36-R122 HydrophobicContact CZ-CG 4.29Å; F36-D123 PolarHBondContact N-OD1 3.24Å |
| 37 | E | 84.9 | Confident | 80.9 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138.2 | 167.2 | -74.7 | -164 | -158.7 | 0 | 0 | 112.6 | G39 Y120 I121 D123 Y126 | E37-G39 PolarHBondContact O-N 3.37Å; E37-Y120 WeakPolarHBondContact O-CA 3.49Å; E37-I121 PolarHBondContact N-O 3.38Å; E37-I121 PolarHBondContact O-N 2.7Å; E37-D123 PolarHBondContact N-OD1 3.33Å; E37-D123 VanDerWaalsContact N-OD1 3.15Å; E37-Y126 WeakPolarHBondContact OE2-CE2 3.34Å; E37-Y126 PolarHBondContact OE2-OH 3.48Å |
| 38 | K | 85.9 | Confident | 82.7 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.8 | 169.3 | -177.1 | -176.6 | 174.8 | -177.5 | 0 | 108.9 | E41 Y120 | K38-E41 WeakPolarHBondContact CE-OE1 3.33Å; K38-E41 IonicContact NZ-OE1 2.91Å; K38-E41 PolarHBondContact NZ-OE1 3.24Å; K38-Y120 HydrophobicContact CB-CD1 4.1Å; K38-Y120 HydrophobicContact CB-CE1 3.6Å; K38-Y120 HydrophobicContact CG-CE1 4.02Å; K38-Y120 HydrophobicContact CG-CE2 4.13Å |
| 39 | G | 79.1 | Confident | 84.2 | Confident | 6 Ų | 6 | 45 Ų | 45 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | trans | -76.6 | -171.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E37 E41 N119 | E37-G39 PolarHBondContact O-N 3.37Å; G39-E41 PolarHBondContact O-N 3.44Å; G39-N119 VanDerWaalsContact C-OD1 3.27Å; G39-N119 WeakPolarHBondContact CA-OD1 3.43Å; G39-N119 PolarHBondContact N-O 3.18Å | ||
| 40 | R | 81 | Confident | 85.8 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | trans | -69 | 128.1 | -171.9 | -164.8 | 171.5 | -173.4 | -177.7 | 15.8 | 111.5 | F43 N119 E425 I428 F429 | R40-F43 HydrophobicContact CB-CD2 3.99Å; R40-F43 HydrophobicContact CB-CE2 4.29Å; R40-F43 VanDerWaalsContact CD-CE2 3.43Å; R40-F43 HydrophobicContact CG-CD2 3.84Å; R40-F43 HydrophobicContact CG-CE2 3.75Å; R40-N119 PolarHBondContact N-OD1 3.03Å; R40-N119 PolarHBondContact O-ND2 2.94Å; R40-E425 PolarHBondContact NH1-O 2.93Å; R40-I428 PolarHBondContact NH1-O 2.82Å; R40-F429 HydrophobicContact CB-CD2 3.97Å; R40-F429 HydrophobicContact CB-CE2 3.88Å | ||
| 41 | E | 85.3 | Confident | 87.1 | Confident | 103 Ų | 103 | 39.7 Ų | 39.7 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -66.8 | 155.7 | 175.1 | -47.4 | -162.8 | 149.4 | 0 | 0 | 112.1 | K38 G39 F43 L118 | K38-E41 WeakPolarHBondContact CE-OE1 3.33Å; K38-E41 IonicContact NZ-OE1 2.91Å; K38-E41 PolarHBondContact NZ-OE1 3.24Å; G39-E41 PolarHBondContact O-N 3.44Å; E41-F43 VanDerWaalsContact C-N 3.34Å; E41-F43 WeakPolarHBondContact O-CD2 3.21Å; E41-L118 HydrophobicContact CB-CD2 3.86Å; E41-L118 HydrophobicContact CG-CD2 3.52Å |
| 42 | D | 88.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 38 Ų | 38 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 62.1 | 37.4 | -173.7 | -70.4 | -18.7 | 0 | 0 | 0 | 113 | R113 K114 K115 G116 F117 | D42-R113 CarbonylContact O-C 3.56Å; D42-R113 VanDerWaalsContact O-CA 3.29Å; D42-R113 WeakPolarHBondContact O-CA 3.25Å; D42-R113 WeakPolarHBondContact O-CG 3.4Å; D42-K114 CarbonylContact C-O 3.58Å; D42-K114 VanDerWaalsContact CA-O 3.24Å; D42-K114 WeakPolarHBondContact CA-O 3.45Å; D42-K114 CarbonylContact O-C 3.5Å; D42-K114 PolarHBondContact O-N 3.07Å; D42-K114 VanDerWaalsContact O-O 3.12Å; D42-K115 HydrophobicContact CB-CG 4.43Å; D42-K115 WeakPolarHBondContact OD1-CA 3.29Å; D42-G116 PolarHBondContact OD1-N 3.39Å; D42-F117 PolarHBondContact N-O 2.7Å |
| 43 | F | 88.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.5 | 170.5 | -77.8 | -103.2 | 0 | 0 | 0 | 111.8 | R40 E41 F111 V112 R113 F117 N119 D427 I428 F429 | R40-F43 HydrophobicContact CB-CD2 3.99Å; R40-F43 HydrophobicContact CB-CE2 4.29Å; R40-F43 VanDerWaalsContact CD-CE2 3.43Å; R40-F43 HydrophobicContact CG-CD2 3.84Å; R40-F43 HydrophobicContact CG-CE2 3.75Å; E41-F43 VanDerWaalsContact C-N 3.34Å; E41-F43 WeakPolarHBondContact O-CD2 3.21Å; F43-F111 HydrophobicContact CB-CB 4.36Å; F43-F111 HydrophobicContact CD1-CB 4.16Å; F43-V112 WeakPolarHBondContact CA-O 3.41Å; F43-V112 VanDerWaalsContact CD1-C 3.47Å; F43-R113 HydrophobicContact CD1-CB 4.17Å; F43-R113 HydrophobicContact CD2-CG 4.44Å; F43-R113 HydrophobicContact CE1-CB 3.74Å; F43-R113 HydrophobicContact CE1-CG 4.39Å; F43-R113 HydrophobicContact CE2-CB 4.21Å; F43-R113 HydrophobicContact CE2-CG 3.96Å; F43-R113 HydrophobicContact CZ-CB 3.76Å; F43-R113 HydrophobicContact CZ-CG 3.94Å; F43-F117 VanDerWaalsContact O-CB 3.28Å; F43-F117 WeakPolarHBondContact O-CB 3.43Å; F43-N119 PolarHBondContact O-ND2 2.93Å; F43-N119 VanDerWaalsContact O-ND2 3.11Å; F43-D427 WeakPolarHBondContact CE1-O 3.43Å; F43-I428 VanDerWaalsContact CZ-O 3.29Å; F43-I428 WeakPolarHBondContact CZ-O 3.27Å; F43-F429 HydrophobicContact CB-CD2 3.7Å; F43-F429 HydrophobicContact CB-CE2 3.94Å; F43-F429 HydrophobicContact CD1-CB 3.84Å; F43-F429 AromaticContact CD1-CD2 3.61Å; F43-F429 HydrophobicContact CD1-CD2 3.61Å; F43-F429 HydrophobicContact CD1-CG 4.17Å; F43-F429 HydrophobicContact CD2-CD2 4.15Å; F43-F429 HydrophobicContact CE1-CB 3.85Å; F43-F429 HydrophobicContact CE1-CD2 4.25Å; F43-F429 AromaticContact CG-CD2 3.56Å; F43-F429 HydrophobicContact CG-CD2 3.56Å; F43-F429 HydrophobicContact CG-CE2 4.24Å |
| 44 | V | 90.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.2 | 176.3 | 73.5 | 0 | 0 | 0 | 0 | 110.1 | D46 F83 F111 V112 K114 F117 I361 | V44-D46 PolarHBondContact O-N 3.4Å; V44-F83 HydrophobicContact CG2-CD2 4.25Å; V44-F83 HydrophobicContact CG2-CE2 3.99Å; V44-F111 WeakPolarHBondContact O-CA 3.4Å; V44-V112 PolarHBondContact N-O 3.23Å; V44-V112 PolarHBondContact O-N 3.17Å; V44-K114 HydrophobicContact CB-CB 4.09Å; V44-K114 HydrophobicContact CB-CD 4.16Å; V44-K114 HydrophobicContact CG1-CB 3.63Å; V44-K114 HydrophobicContact CG1-CD 3.67Å; V44-K114 HydrophobicContact CG1-CG 4.3Å; V44-F117 HydrophobicContact CB-CB 4.2Å; V44-F117 HydrophobicContact CB-CD1 4.08Å; V44-F117 HydrophobicContact CB-CD2 4.17Å; V44-F117 HydrophobicContact CB-CG 3.87Å; V44-F117 HydrophobicContact CG2-CD1 3.59Å; V44-F117 HydrophobicContact CG2-CD2 4.37Å; V44-F117 HydrophobicContact CG2-CE1 3.76Å; V44-F117 HydrophobicContact CG2-CG 3.92Å; V44-F117 HydrophobicContact CG2-CZ 4.25Å; V44-I361 HydrophobicContact CG1-CG2 4.22Å; V44-I361 HydrophobicContact CG2-CD1 4.04Å; V44-I361 HydrophobicContact CG2-CG2 4.25Å |
| 45 | L | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.8 | 171 | -170.4 | 76.8 | 0 | 0 | 0 | 110.2 | T47 S50 F83 F99 C109 R110 F111 | L45-T47 PolarHBondContact O-N 3.4Å; L45-T47 PolarHBondContact O-OG1 3.5Å; L45-S50 WeakPolarHBondContact CD1-OG 3.24Å; L45-F83 HydrophobicContact CB-CD1 3.69Å; L45-F83 HydrophobicContact CB-CE1 3.45Å; L45-F83 VanDerWaalsContact CB-CE1 3.45Å; L45-F83 HydrophobicContact CB-CG 4.34Å; L45-F83 HydrophobicContact CB-CZ 3.95Å; L45-F83 HydrophobicContact CD2-CD1 4.2Å; L45-F83 HydrophobicContact CD2-CE1 3.66Å; L45-F83 HydrophobicContact CG-CE1 4.19Å; L45-F99 HydrophobicContact CD2-CB 4.47Å; L45-F99 HydrophobicContact CD2-CD1 3.69Å; L45-F99 HydrophobicContact CD2-CD2 3.85Å; L45-F99 HydrophobicContact CD2-CE1 3.77Å; L45-F99 HydrophobicContact CD2-CE2 3.95Å; L45-F99 HydrophobicContact CD2-CG 3.73Å; L45-F99 HydrophobicContact CD2-CZ 3.9Å; L45-C109 HydrophobicContact CD1-CB 3.56Å; L45-R110 CarbonylContact C-O 3.1Å; L45-R110 WeakPolarHBondContact CA-O 3.26Å; L45-R110 WeakPolarHBondContact CD1-O 3.12Å; L45-F111 HydrophobicContact CB-CD1 4.39Å; L45-F111 HydrophobicContact CB-CE1 4.15Å; L45-F111 HydrophobicContact CD1-CD1 4.37Å; L45-F111 HydrophobicContact CD1-CE1 4.03Å; L45-F111 HydrophobicContact CD1-CE2 4.47Å; L45-F111 HydrophobicContact CD1-CZ 4.1Å |
| 46 | D | 91.6 | Very high | 89.4 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | trans | -71.3 | 95.3 | 164.7 | -171 | -25.5 | 0 | 0 | 0 | 108.2 | V44 D48 D49 S50 R110 V112 | V44-D46 PolarHBondContact O-N 3.4Å; D46-D48 VanDerWaalsContact C-N 3.35Å; D46-D48 PolarHBondContact OD1-N 2.85Å; D46-D49 PolarHBondContact OD1-N 3.37Å; D46-S50 WeakPolarHBondContact O-CB 3.36Å; D46-S50 PolarHBondContact O-N 2.89Å; D46-S50 PolarHBondContact O-OG 3.34Å; D46-R110 HydrophobicContact CB-CB 4.32Å; D46-R110 HydrophobicContact CB-CG 4.36Å; D46-R110 PolarHBondContact N-O 3.32Å; D46-V112 HydrophobicContact CB-CG2 3.97Å | ||
| 47 | T | 92.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.4 | -31.2 | -170.8 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L45 V51 F99 F355 L358 L359 | L45-T47 PolarHBondContact O-N 3.4Å; L45-T47 PolarHBondContact O-OG1 3.5Å; T47-V51 HydrophobicContact CG2-CG2 4.22Å; T47-V51 WeakPolarHBondContact O-CB 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.4Å; T47-V51 PolarHBondContact O-N 2.85Å; T47-F99 HydrophobicContact CG2-CE1 4.15Å; T47-F99 HydrophobicContact CG2-CZ 3.83Å; T47-F355 HydrophobicContact CG2-CD2 4.29Å; T47-F355 HydrophobicContact CG2-CE2 3.6Å; T47-F355 HydrophobicContact CG2-CZ 4.13Å; T47-L358 HydrophobicContact CG2-CB 3.91Å; T47-L358 HydrophobicContact CG2-CD1 4.3Å; T47-L359 HydrophobicContact CG2-CD2 4.06Å |
| 48 | D | 91.4 | Very high | 90.1 | Very high | 80 Ų | 80 | 29.7 Ų | 29.7 | 43% | 0.428 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -69.7 | -52.7 | 179.6 | -167.1 | 77.5 | 0 | 0 | 0 | 110.1 | D46 S50 V51 K52 F252 L359 | D46-D48 VanDerWaalsContact C-N 3.35Å; D46-D48 PolarHBondContact OD1-N 2.85Å; D48-S50 PolarHBondContact O-N 2.87Å; D48-V51 PolarHBondContact O-N 3.26Å; D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.45Å; D48-K52 PolarHBondContact O-N 2.85Å; D48-F252 VanDerWaalsContact O-CE1 3.28Å; D48-F252 WeakPolarHBondContact O-CE1 3.31Å; D48-F252 WeakPolarHBondContact OD1-CE1 3.23Å; D48-L359 HydrophobicContact CB-CD2 4.12Å |
| 49 | D | 90 | Very high | 90.4 | Very high | 14 Ų | 14 | 29 Ų | 29 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | -177.9 | -161.3 | 65 | 0 | 0 | 0 | 112.3 | D46 V51 K52 Y53 R110 | D46-D49 PolarHBondContact OD1-N 3.37Å; D49-V51 PolarHBondContact O-N 2.88Å; D49-K52 WeakPolarHBondContact O-CB 3.26Å; D49-K52 PolarHBondContact O-N 3.34Å; D49-K52 IonicContact OD1-NZ 3.75Å; D49-K52 PolarHBondContact OD1-NZ 2.87Å; D49-Y53 WeakPolarHBondContact O-CD2 3.33Å; D49-Y53 PolarHBondContact O-N 3.38Å; D49-Y53 WeakPolarHBondContact OD1-CE2 3.47Å; D49-Y53 WeakPolarHBondContact OD2-CE2 3.31Å; D49-R110 WeakPolarHBondContact OD2-CD 3.4Å; D49-R110 IonicContact OD2-CZ 2.64Å; D49-R110 IonicContact OD2-NE 3.31Å; D49-R110 IonicContact OD2-NH1 3.4Å; D49-R110 PolarHBondContact OD2-NH1 2.84Å |
| 50 | S | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | L45 D46 D48 Y53 G54 A55 R110 | L45-S50 WeakPolarHBondContact CD1-OG 3.24Å; D46-S50 WeakPolarHBondContact O-CB 3.36Å; D46-S50 PolarHBondContact O-N 2.89Å; D46-S50 PolarHBondContact O-OG 3.34Å; D48-S50 PolarHBondContact O-N 2.87Å; S50-Y53 CarbonylContact O-C 3.58Å; S50-Y53 PolarHBondContact O-N 2.84Å; S50-G54 PolarHBondContact O-N 3.37Å; S50-G54 VanDerWaalsContact O-N 3.17Å; S50-A55 WeakPolarHBondContact O-CB 3.25Å; S50-A55 PolarHBondContact O-N 3.43Å; S50-R110 PolarHBondContact OG-N 3.26Å |
| 51 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.9 | -32.4 | -178.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | T47 D48 D49 Y53 G54 A55 F99 F252 R254 F355 | T47-V51 HydrophobicContact CG2-CG2 4.22Å; T47-V51 WeakPolarHBondContact O-CB 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.4Å; T47-V51 PolarHBondContact O-N 2.85Å; D48-V51 PolarHBondContact O-N 3.26Å; D49-V51 PolarHBondContact O-N 2.88Å; V51-Y53 VanDerWaalsContact C-N 3.29Å; V51-Y53 PolarHBondContact O-N 3.35Å; V51-G54 PolarHBondContact O-N 2.85Å; V51-G54 VanDerWaalsContact O-N 3.09Å; V51-A55 WeakPolarHBondContact CA-O 3.4Å; V51-F99 HydrophobicContact CG2-CE1 4.16Å; V51-F252 HydrophobicContact CB-CD1 4.36Å; V51-F252 HydrophobicContact CB-CD2 4.48Å; V51-F252 HydrophobicContact CB-CE1 4.01Å; V51-F252 HydrophobicContact CB-CE2 4.12Å; V51-F252 HydrophobicContact CB-CZ 3.87Å; V51-F252 HydrophobicContact CG1-CD1 4.13Å; V51-F252 HydrophobicContact CG1-CD2 3.55Å; V51-F252 HydrophobicContact CG1-CE1 4.09Å; V51-F252 HydrophobicContact CG1-CE2 3.49Å; V51-F252 VanDerWaalsContact CG1-CE2 3.49Å; V51-F252 HydrophobicContact CG1-CG 3.88Å; V51-F252 HydrophobicContact CG1-CZ 3.78Å; V51-R254 PolarHBondContact O-NH2 2.83Å; V51-F355 HydrophobicContact CG1-CZ 4.45Å; V51-F355 HydrophobicContact CG2-CE2 4.12Å; V51-F355 HydrophobicContact CG2-CZ 4.19Å |
| 52 | K | 92.2 | Very high | 92 | Very high | 70 Ų | 70 | 31.8 Ų | 31.8 | 30% | 0.304 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.6 | -39 | 168.3 | 170 | -176.2 | 161 | -153.3 | 0 | 112 | D48 D49 F252 L280 | D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.45Å; D48-K52 PolarHBondContact O-N 2.85Å; D49-K52 WeakPolarHBondContact O-CB 3.26Å; D49-K52 PolarHBondContact O-N 3.34Å; D49-K52 IonicContact OD1-NZ 3.75Å; D49-K52 PolarHBondContact OD1-NZ 2.87Å; K52-F252 HydrophobicContact CB-CD1 4Å; K52-F252 HydrophobicContact CB-CE1 4.46Å; K52-L280 WeakPolarHBondContact O-CD2 3.28Å |
| 53 | Y | 89.9 | Confident | 92.2 | Very high | 68 Ų | 68 | 31 Ų | 31 | 27% | 0.267 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.7 | 173.9 | -71.3 | -65.5 | 0 | 0 | 0 | 115.2 | D49 S50 V51 V108 L280 | D49-Y53 WeakPolarHBondContact O-CD2 3.33Å; D49-Y53 PolarHBondContact O-N 3.38Å; D49-Y53 WeakPolarHBondContact OD1-CE2 3.47Å; D49-Y53 WeakPolarHBondContact OD2-CE2 3.31Å; S50-Y53 CarbonylContact O-C 3.58Å; S50-Y53 PolarHBondContact O-N 2.84Å; V51-Y53 VanDerWaalsContact C-N 3.29Å; V51-Y53 PolarHBondContact O-N 3.35Å; Y53-V108 WeakPolarHBondContact O-CB 3.32Å; Y53-V108 VanDerWaalsContact O-CG1 3.31Å; Y53-V108 WeakPolarHBondContact O-CG1 3.37Å; Y53-L280 VanDerWaalsContact O-CD1 3.23Å; Y53-L280 WeakPolarHBondContact O-CD1 3.46Å |
| 54 | G | 92.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.6 | 1.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S50 V51 | S50-G54 PolarHBondContact O-N 3.37Å; S50-G54 VanDerWaalsContact O-N 3.17Å; V51-G54 PolarHBondContact O-N 2.85Å; V51-G54 VanDerWaalsContact O-N 3.09Å |
| 55 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -61.6 | 146.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S50 V51 D100 V108 | S50-A55 WeakPolarHBondContact O-CB 3.25Å; S50-A55 PolarHBondContact O-N 3.43Å; V51-A55 WeakPolarHBondContact CA-O 3.4Å; A55-D100 CarbonylContact C-O 3.5Å; A55-D100 WeakPolarHBondContact CA-O 3.39Å; A55-D100 WeakPolarHBondContact CB-O 3.34Å; A55-V108 HydrophobicContact CB-CG2 4.16Å | ||
| 56 | T | 92.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.3 | 177.3 | -69.1 | 0 | 0 | 0 | 0 | 110.1 | I58 D100 E274 | T56-I58 PolarHBondContact O-N 2.94Å; T56-D100 PolarHBondContact N-O 3.38Å; T56-D100 PolarHBondContact O-N 3.48Å; T56-E274 WeakPolarHBondContact CG2-OE2 3.03Å; T56-E274 PolarHBondContact OG1-OE1 2.93Å; T56-E274 PolarHBondContact OG1-OE2 3.29Å |
| 57 | F | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122.4 | 167.8 | 174.8 | -126.7 | 0 | 0 | 0 | 110 | I59 K60 F97 F99 C272 L351 N354 F355 L358 | F57-I59 WeakPolarHBondContact CE2-O 3.19Å; F57-K60 HydrophobicContact CZ-CB 4.28Å; F57-F97 HydrophobicContact CE2-CD1 4.24Å; F57-F99 HydrophobicContact CB-CD1 4.37Å; F57-F99 HydrophobicContact CB-CE1 3.74Å; F57-F99 HydrophobicContact CB-CZ 3.82Å; F57-F99 HydrophobicContact CD2-CD2 4.12Å; F57-F99 HydrophobicContact CD2-CE1 4.27Å; F57-F99 AromaticContact CD2-CE2 3.49Å; F57-F99 HydrophobicContact CD2-CE2 3.49Å; F57-F99 VanDerWaalsContact CD2-CE2 3.49Å; F57-F99 AromaticContact CD2-CZ 3.59Å; F57-F99 HydrophobicContact CD2-CZ 3.59Å; F57-F99 HydrophobicContact CE2-CE2 4.16Å; F57-F99 HydrophobicContact CG-CE1 4.46Å; F57-F99 HydrophobicContact CG-CE2 4.39Å; F57-F99 HydrophobicContact CG-CZ 4.05Å; F57-C272 HydrophobicContact CB-CB 4.47Å; F57-C272 HydrophobicContact CD1-CB 4.43Å; F57-L351 HydrophobicContact CD1-CD1 3.93Å; F57-L351 HydrophobicContact CD1-CG 4.44Å; F57-L351 HydrophobicContact CE1-CD1 3.52Å; F57-L351 HydrophobicContact CE1-CG 4.2Å; F57-L351 HydrophobicContact CZ-CD1 4.3Å; F57-N354 HydrophobicContact CE1-CB 4.33Å; F57-N354 HydrophobicContact CZ-CB 4.12Å; F57-F355 HydrophobicContact CB-CD2 3.68Å; F57-F355 HydrophobicContact CB-CE2 3.82Å; F57-F355 HydrophobicContact CD1-CB 3.86Å; F57-F355 AromaticContact CD1-CD2 3.55Å; F57-F355 HydrophobicContact CD1-CD2 3.55Å; F57-F355 HydrophobicContact CD1-CG 4.11Å; F57-F355 HydrophobicContact CE1-CB 3.94Å; F57-F355 HydrophobicContact CE1-CD2 4.34Å; F57-F355 AromaticContact CG-CD2 3.73Å; F57-F355 HydrophobicContact CG-CD2 3.73Å; F57-F355 HydrophobicContact CG-CE2 4.36Å; F57-L358 HydrophobicContact CD2-CD1 4.1Å; F57-L358 HydrophobicContact CE2-CD1 4Å |
| 58 | I | 92.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -66.1 | -177.7 | -56.1 | 175.8 | 0 | 0 | 0 | 109.6 | T56 D76 K78 C79 L98 D100 L351 | T56-I58 PolarHBondContact O-N 2.94Å; I58-D76 HydrophobicContact CG2-CB 4.49Å; I58-D76 WeakPolarHBondContact CG2-OD2 3.3Å; I58-K78 HydrophobicContact CD1-CB 4.32Å; I58-C79 HydrophobicContact CD1-CB 3.56Å; I58-L98 HydrophobicContact CB-CB 4.22Å; I58-L98 WeakPolarHBondContact CB-O 3.44Å; I58-L98 PolarHBondContact N-O 3.36Å; I58-D100 HydrophobicContact CD1-CB 4.28Å; I58-D100 HydrophobicContact CG1-CB 4.47Å; I58-L351 WeakPolarHBondContact O-CD1 3.23Å |
| 59 | I | 92 | Very high | 92.7 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 164.5 | -175.5 | -164.9 | 162.5 | 0 | 0 | 0 | 111.6 | F57 P61 L98 | F57-I59 WeakPolarHBondContact CE2-O 3.19Å; I59-P61 HydrophobicContact CG2-CG 4.13Å; I59-P61 WeakPolarHBondContact O-CD 3.34Å; I59-L98 HydrophobicContact CG2-CB 4.34Å; I59-L98 HydrophobicContact CG2-CD1 3.91Å; I59-L98 HydrophobicContact CG2-CG 4.41Å; I59-L98 PolarHBondContact O-N 2.82Å |
| 60 | K | 93.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -108.4 | 95.8 | 165.6 | -174.4 | -162.5 | -176.9 | -179.9 | 0 | 110.5 | F57 S95 C96 F97 N354 | F57-K60 HydrophobicContact CZ-CB 4.28Å; K60-S95 WeakPolarHBondContact CE-OG 3.49Å; K60-S95 PolarHBondContact NZ-OG 3.4Å; K60-S95 VanDerWaalsContact NZ-OG 3.16Å; K60-C96 WeakPolarHBondContact CA-O 3.4Å; K60-C96 WeakPolarHBondContact CG-O 3.28Å; K60-F97 HydrophobicContact CB-CD1 3.97Å; K60-F97 HydrophobicContact CB-CE1 4.15Å; K60-F97 HydrophobicContact CD-CD1 4.3Å; K60-F97 HydrophobicContact CD-CE1 3.67Å; K60-F97 HydrophobicContact CD-CZ 4.18Å; K60-F97 HydrophobicContact CG-CD1 3.75Å; K60-F97 HydrophobicContact CG-CE1 3.64Å; K60-F97 HydrophobicContact CG-CZ 4.33Å; K60-N354 HydrophobicContact CB-CB 3.89Å; K60-N354 HydrophobicContact CD-CB 4.11Å; K60-N354 WeakPolarHBondContact CD-OD1 3.38Å | ||
| 61 | P | 93.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | trans | -62.7 | 142 | 177.1 | -22 | 33.4 | 0 | 0 | 0 | 112.6 | I59 V63 C96 L98 | I59-P61 HydrophobicContact CG2-CG 4.13Å; I59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-V63 VanDerWaalsContact C-N 3.35Å; P61-V63 HydrophobicContact CB-CG1 4.14Å; P61-V63 HydrophobicContact CB-CG2 4.06Å; P61-V63 PolarHBondContact O-N 2.84Å; P61-V63 VanDerWaalsContact O-N 3.14Å; P61-C96 WeakPolarHBondContact CD-O 3.45Å; P61-L98 HydrophobicContact CG-CD1 3.51Å; P61-L98 HydrophobicContact CG-CG 3.77Å | ||
| 62 | K | 91.8 | Very high | 92.8 | Very high | 187 Ų | 187 | 47.4 Ų | 47.4 | 81% | 0.813 | 23% | 0.231 | S | C | * | . | trans | -86.4 | 76.2 | 174.7 | -66.9 | 172.9 | -176.4 | 165.9 | 0 | 109.3 | ||||
| 63 | V | 93.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 44 Ų | 44 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | trans | -135.1 | 147.7 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 111 | P61 D68 C69 I93 C96 | P61-V63 VanDerWaalsContact C-N 3.35Å; P61-V63 HydrophobicContact CB-CG1 4.14Å; P61-V63 HydrophobicContact CB-CG2 4.06Å; P61-V63 PolarHBondContact O-N 2.84Å; P61-V63 VanDerWaalsContact O-N 3.14Å; V63-D68 HydrophobicContact CB-CB 4.17Å; V63-D68 HydrophobicContact CG1-CB 4.24Å; V63-C69 HydrophobicContact CG2-CB 3.94Å; V63-I93 HydrophobicContact CG2-CD1 4.35Å; V63-C96 HydrophobicContact CG2-CB 3.68Å | ||
| 64 | E | 92 | Very high | 92.9 | Very high | 166 Ų | 166 | 41.3 Ų | 41.3 | 78% | 0.776 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -110 | -3.5 | -173.4 | -59.7 | -176.8 | 166.7 | 0 | 0 | 113.5 | M92 I93 | E64-M92 WeakPolarHBondContact O-CA 3.36Å; E64-I93 PolarHBondContact O-N 2.9Å |
| 65 | S | 93.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -122.3 | 139.4 | -175.5 | 167 | 0 | 0 | 0 | 0 | 111.3 | N67 D68 C69 | S65-N67 VanDerWaalsContact C-N 3.32Å; S65-N67 PolarHBondContact O-N 3.04Å; S65-N67 PolarHBondContact OG-N 2.92Å; S65-D68 WeakPolarHBondContact CB-OD2 2.94Å; S65-D68 PolarHBondContact O-N 3.17Å; S65-C69 PolarHBondContact O-N 3.14Å; S65-C69 VanDerWaalsContact O-N 3.08Å |
| 66 | T | 91.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52 | -47.6 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | D68 C69 I70 M84 G91 Y120 | T66-D68 VanDerWaalsContact C-N 3.29Å; T66-D68 PolarHBondContact O-N 3.24Å; T66-C69 WeakPolarHBondContact O-CB 3.48Å; T66-C69 PolarHBondContact O-N 2.99Å; T66-I70 HydrophobicContact CG2-CD1 4.12Å; T66-I70 WeakPolarHBondContact O-CG1 3.34Å; T66-I70 PolarHBondContact O-N 2.84Å; T66-I70 VanDerWaalsContact O-N 3.1Å; T66-M84 HydrophobicContact CG2-CE 3.99Å; T66-M84 HydrophobicContact CG2-SD 3.83Å; T66-G91 PolarHBondContact N-O 3.41Å; T66-G91 VanDerWaalsContact N-O 3.15Å; T66-G91 PolarHBondContact OG1-O 2.89Å; T66-Y120 HydrophobicContact CG2-CD2 4.27Å; T66-Y120 HydrophobicContact CG2-CE2 3.43Å; T66-Y120 VanDerWaalsContact CG2-CE2 3.43Å |
| 67 | N | 91.6 | Very high | 92 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -31.2 | -176.6 | -67.9 | -1.4 | 0 | 0 | 0 | 112 | L33 S65 I70 R71 | L33-N67 HydrophobicContact CD1-CB 4.5Å; L33-N67 HydrophobicContact CD2-CB 4.29Å; S65-N67 VanDerWaalsContact C-N 3.32Å; S65-N67 PolarHBondContact O-N 3.04Å; S65-N67 PolarHBondContact OG-N 2.92Å; N67-I70 PolarHBondContact O-N 2.81Å; N67-R71 WeakPolarHBondContact O-CB 3.05Å; N67-R71 WeakPolarHBondContact O-CD 3.41Å; N67-R71 WeakPolarHBondContact O-CG 3.02Å; N67-R71 PolarHBondContact O-N 3.29Å |
| 68 | D | 93 | Very high | 91.8 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.2 | -25.4 | 178.5 | -62 | -37.2 | 0 | 0 | 0 | 112.3 | V63 S65 T66 R71 S72 | V63-D68 HydrophobicContact CB-CB 4.17Å; V63-D68 HydrophobicContact CG1-CB 4.24Å; S65-D68 WeakPolarHBondContact CB-OD2 2.94Å; S65-D68 PolarHBondContact O-N 3.17Å; T66-D68 VanDerWaalsContact C-N 3.29Å; T66-D68 PolarHBondContact O-N 3.24Å; D68-R71 IonicContact OD1-CZ 3.58Å; D68-R71 IonicContact OD1-NH1 3.73Å; D68-R71 PolarHBondContact OD1-NH1 3.38Å; D68-S72 WeakPolarHBondContact O-CB 3.44Å; D68-S72 PolarHBondContact O-N 2.03Å; D68-S72 PolarHBondContact O-OG 2.89Å |
| 69 | C | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 166 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | V63 S65 T66 R71 S72 C73 M84 I93 C96 | V63-C69 HydrophobicContact CG2-CB 3.94Å; S65-C69 PolarHBondContact O-N 3.14Å; S65-C69 VanDerWaalsContact O-N 3.08Å; T66-C69 WeakPolarHBondContact O-CB 3.48Å; T66-C69 PolarHBondContact O-N 2.99Å; C69-R71 PolarHBondContact O-N 3.09Å; C69-S72 WeakPolarHBondContact O-CA 3.3Å; C69-S72 VanDerWaalsContact O-CB 3.32Å; C69-S72 WeakPolarHBondContact O-CB 3.28Å; C69-S72 PolarHBondContact O-N 2.9Å; C69-C73 PolarHBondContact O-N 3.18Å; C69-M84 HydrophobicContact CB-CE 3.84Å; C69-M84 HydrophobicContact CB-CG 4.34Å; C69-M84 HydrophobicContact CB-SD 3.79Å; C69-I93 HydrophobicContact CB-CD1 3.78Å; C69-C96 WeakPolarHBondContact CA-SG 3.42Å; C69-C96 HydrophobicContact CB-CB 3.72Å; C69-C96 WeakPolarHBondContact CB-SG 3.43Å; C69-C96 WeakPolarHBondContact SG-CB 3.41Å; C69-C96 CovalentContact SG-SG 2.02Å; C69-C96 PolarHBondContact SG-SG 3.45Å |
| 70 | I | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 179 | -55.8 | 161.3 | 0 | 0 | 0 | 110.7 | L33 F36 T66 N67 S72 C73 C74 M84 Y120 | L33-I70 HydrophobicContact CD2-CB 3.64Å; L33-I70 HydrophobicContact CD2-CD1 4Å; L33-I70 HydrophobicContact CD2-CG1 4.45Å; L33-I70 HydrophobicContact CD2-CG2 3.69Å; F36-I70 HydrophobicContact CB-CG2 4.09Å; F36-I70 HydrophobicContact CD1-CG2 4.32Å; F36-I70 HydrophobicContact CD2-CG2 3.57Å; F36-I70 HydrophobicContact CE2-CG2 4.03Å; F36-I70 HydrophobicContact CG-CG2 3.74Å; T66-I70 HydrophobicContact CG2-CD1 4.12Å; T66-I70 WeakPolarHBondContact O-CG1 3.34Å; T66-I70 PolarHBondContact O-N 2.84Å; T66-I70 VanDerWaalsContact O-N 3.1Å; N67-I70 PolarHBondContact O-N 2.81Å; I70-S72 PolarHBondContact O-N 2.74Å; I70-C73 CarbonylContact O-C 3.5Å; I70-C73 WeakPolarHBondContact O-CA 3.45Å; I70-C73 VanDerWaalsContact O-CB 3.23Å; I70-C73 WeakPolarHBondContact O-CB 3.49Å; I70-C73 PolarHBondContact O-N 2.92Å; I70-C74 PolarHBondContact O-N 2.96Å; I70-C74 PolarHBondContact O-SG 3.42Å; I70-M84 HydrophobicContact CD1-CE 4.44Å; I70-M84 HydrophobicContact CG1-CE 3.86Å; I70-Y120 HydrophobicContact CD1-CD1 3.48Å; I70-Y120 VanDerWaalsContact CD1-CD1 3.48Å; I70-Y120 HydrophobicContact CD1-CD2 4.17Å; I70-Y120 HydrophobicContact CD1-CE1 3.66Å; I70-Y120 HydrophobicContact CD1-CE2 4.35Å; I70-Y120 HydrophobicContact CD1-CG 3.74Å; I70-Y120 HydrophobicContact CG1-CD1 4.31Å; I70-Y120 HydrophobicContact CG1-CG 4.13Å |
| 71 | R | 92.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -26 | 171.9 | -73.9 | 165.7 | -178.7 | 155.3 | -2.2 | 113.6 | L33 N67 D68 C69 K75 | L33-R71 HydrophobicContact CD1-CG 4.38Å; L33-R71 HydrophobicContact CG-CG 4.42Å; N67-R71 WeakPolarHBondContact O-CB 3.05Å; N67-R71 WeakPolarHBondContact O-CD 3.41Å; N67-R71 WeakPolarHBondContact O-CG 3.02Å; N67-R71 PolarHBondContact O-N 3.29Å; D68-R71 IonicContact OD1-CZ 3.58Å; D68-R71 IonicContact OD1-NH1 3.73Å; D68-R71 PolarHBondContact OD1-NH1 3.38Å; C69-R71 PolarHBondContact O-N 3.09Å; R71-K75 WeakPolarHBondContact O-CG 3.27Å |
| 72 | S | 93.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.4 | -39 | 172.5 | -59.5 | 0 | 0 | 0 | 0 | 111 | D68 C69 I70 K75 | D68-S72 WeakPolarHBondContact O-CB 3.44Å; D68-S72 PolarHBondContact O-N 2.03Å; D68-S72 PolarHBondContact O-OG 2.89Å; C69-S72 WeakPolarHBondContact O-CA 3.3Å; C69-S72 VanDerWaalsContact O-CB 3.32Å; C69-S72 WeakPolarHBondContact O-CB 3.28Å; C69-S72 PolarHBondContact O-N 2.9Å; I70-S72 PolarHBondContact O-N 2.74Å; S72-K75 PolarHBondContact O-N 3.22Å |
| 73 | C | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 169.8 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | F36 C69 I70 K75 D76 C79 A82 L98 | F36-C73 HydrophobicContact CZ-CB 4.13Å; F36-C73 WeakPolarHBondContact CZ-SG 3.48Å; C69-C73 PolarHBondContact O-N 3.18Å; I70-C73 CarbonylContact O-C 3.5Å; I70-C73 WeakPolarHBondContact O-CA 3.45Å; I70-C73 VanDerWaalsContact O-CB 3.23Å; I70-C73 WeakPolarHBondContact O-CB 3.49Å; I70-C73 PolarHBondContact O-N 2.92Å; C73-K75 PolarHBondContact O-N 2.85Å; C73-D76 PolarHBondContact O-N 2.84Å; C73-D76 VanDerWaalsContact O-O 3.12Å; C73-C79 WeakPolarHBondContact CA-SG 3.27Å; C73-C79 HydrophobicContact CB-CB 3.98Å; C73-C79 WeakPolarHBondContact CB-SG 3.46Å; C73-C79 WeakPolarHBondContact O-CB 3.48Å; C73-C79 VanDerWaalsContact SG-C 3.51Å; C73-C79 WeakPolarHBondContact SG-CB 3.44Å; C73-C79 CovalentContact SG-SG 2.03Å; C73-C79 PolarHBondContact SG-SG 3.34Å; C73-A82 HydrophobicContact CB-CB 4.31Å; C73-L98 HydrophobicContact CB-CD1 4.35Å; C73-L98 HydrophobicContact CB-CD2 3.75Å |
| 74 | C | 90.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.4 | 176.9 | -69.9 | 0 | 0 | 0 | 0 | 115.7 | F28 C32 I70 | F28-C74 WeakPolarHBondContact CE1-O 3.45Å; C32-C74 HydrophobicContact CB-CB 3.75Å; C32-C74 WeakPolarHBondContact CB-SG 3.13Å; C32-C74 VanDerWaalsContact SG-CA 3.58Å; C32-C74 WeakPolarHBondContact SG-CB 3.25Å; C32-C74 CovalentContact SG-SG 2.03Å; C32-C74 PolarHBondContact SG-SG 2.77Å; I70-C74 PolarHBondContact O-N 2.96Å; I70-C74 PolarHBondContact O-SG 3.42Å |
| 75 | K | 88.7 | Confident | 91.8 | Very high | 169 Ų | 169 | 35 Ų | 35 | 74% | 0.735 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -22.7 | 177.2 | -68.2 | 169.2 | -173.9 | 175.3 | 0 | 113.4 | R71 S72 C73 | R71-K75 WeakPolarHBondContact O-CG 3.27Å; S72-K75 PolarHBondContact O-N 3.22Å; C73-K75 PolarHBondContact O-N 2.85Å |
| 76 | D | 87.5 | Confident | 91.6 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -101.9 | 120.4 | 177.4 | -163.3 | -47.5 | 0 | 0 | 0 | 109.9 | I58 C73 K78 C79 R329 | I58-D76 HydrophobicContact CG2-CB 4.49Å; I58-D76 WeakPolarHBondContact CG2-OD2 3.3Å; C73-D76 PolarHBondContact O-N 2.84Å; C73-D76 VanDerWaalsContact O-O 3.12Å; D76-K78 PolarHBondContact O-N 3.36Å; D76-K78 VanDerWaalsContact O-N 3.15Å; D76-K78 WeakPolarHBondContact OD1-CB 3.3Å; D76-K78 PolarHBondContact OD1-N 3.05Å; D76-C79 HydrophobicContact CB-CB 4.07Å; D76-C79 PolarHBondContact O-N 3.4Å; D76-R329 IonicContact OD1-NH1 2.77Å; D76-R329 IonicContact OD1-NH2 2.67Å; D76-R329 IonicContact OD2-CZ 3.08Å; D76-R329 IonicContact OD2-NH1 3.25Å; D76-R329 IonicContact OD2-NH2 2.79Å; D76-R329 PolarHBondContact OD2-NH2 2.82Å |
| 77 | P | 87 | Confident | 91.4 | Very high | 91 Ų | 91 | 36.3 Ų | 36.3 | 59% | 0.591 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.6 | -179.2 | 26.9 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 78 | K | 88.9 | Confident | 90.8 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15 | 172.8 | -71.7 | -166.4 | 168.9 | -158.7 | 0 | 113.5 | I58 D76 N80 D100 E274 | I58-K78 HydrophobicContact CD1-CB 4.32Å; D76-K78 PolarHBondContact O-N 3.36Å; D76-K78 VanDerWaalsContact O-N 3.15Å; D76-K78 WeakPolarHBondContact OD1-CB 3.3Å; D76-K78 PolarHBondContact OD1-N 3.05Å; K78-N80 PolarHBondContact O-N 2.8Å; K78-N80 PolarHBondContact O-ND2 2.98Å; K78-D100 HydrophobicContact CB-CB 4.13Å; K78-D100 WeakPolarHBondContact O-CB 3.48Å; K78-D100 VanDerWaalsContact O-CG 3.29Å; K78-E274 IonicContact NZ-OE1 2.67Å |
| 79 | C | 93.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | trans | -79.2 | 119.8 | -174 | -169 | 0 | 0 | 0 | 0 | 112.1 | I58 C73 D76 R122 | I58-C79 HydrophobicContact CD1-CB 3.56Å; C73-C79 WeakPolarHBondContact CA-SG 3.27Å; C73-C79 HydrophobicContact CB-CB 3.98Å; C73-C79 WeakPolarHBondContact CB-SG 3.46Å; C73-C79 WeakPolarHBondContact O-CB 3.48Å; C73-C79 VanDerWaalsContact SG-C 3.51Å; C73-C79 WeakPolarHBondContact SG-CB 3.44Å; C73-C79 CovalentContact SG-SG 2.03Å; C73-C79 PolarHBondContact SG-SG 3.34Å; D76-C79 HydrophobicContact CB-CB 4.07Å; D76-C79 PolarHBondContact O-N 3.4Å; C79-R122 PolarHBondContact O-NE 2.84Å; C79-R122 PolarHBondContact O-NH2 2.94Å; C79-R122 VanDerWaalsContact O-NH2 3.11Å | ||
| 80 | N | 91.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | trans | -128.7 | -15.4 | 179.9 | 48.8 | 44.7 | 0 | 0 | 0 | 113 | K78 F99 D100 C101 I121 R122 V125 | K78-N80 PolarHBondContact O-N 2.8Å; K78-N80 PolarHBondContact O-ND2 2.98Å; N80-F99 PolarHBondContact N-O 2.77Å; N80-F99 PolarHBondContact OD1-O 3.42Å; N80-D100 PolarHBondContact ND2-OD1 3.41Å; N80-C101 PolarHBondContact ND2-N 3.07Å; N80-C101 WeakPolarHBondContact OD1-CB 3.09Å; N80-C101 PolarHBondContact OD1-N 3.12Å; N80-I121 WeakPolarHBondContact O-CA 3.25Å; N80-R122 HydrophobicContact CB-CB 4.28Å; N80-R122 PolarHBondContact O-N 2.9Å; N80-V125 HydrophobicContact CB-CG2 3.81Å | ||
| 81 | V | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.5 | 173.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | F99 C101 Y107 F111 Y120 I121 | V81-F99 HydrophobicContact CB-CB 4.4Å; V81-F99 PolarHBondContact N-O 2.78Å; V81-F99 PolarHBondContact O-N 3.01Å; V81-C101 VanDerWaalsContact CB-SG 3.58Å; V81-C101 HydrophobicContact CG2-CB 3.84Å; V81-C101 WeakPolarHBondContact CG2-SG 3.35Å; V81-Y107 HydrophobicContact CG2-CE2 4.42Å; V81-F111 HydrophobicContact CG1-CZ 3.88Å; V81-Y120 WeakPolarHBondContact CA-O 3.22Å; V81-I121 HydrophobicContact CG2-CG1 4.12Å; V81-I121 HydrophobicContact CG2-CG2 4.16Å |
| 82 | A | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | C73 M84 F97 L98 Y120 | C73-A82 HydrophobicContact CB-CB 4.31Å; A82-M84 HydrophobicContact CB-CE 4.16Å; A82-F97 WeakPolarHBondContact CA-O 3.13Å; A82-L98 HydrophobicContact CB-CD2 3.63Å; A82-Y120 PolarHBondContact N-O 3.34Å; A82-Y120 PolarHBondContact O-N 3.37Å |
| 83 | F | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 151.9 | 174.4 | 78.1 | -94.8 | 0 | 0 | 0 | 112.2 | V44 L45 F97 F99 F117 L118 N119 L358 | V44-F83 HydrophobicContact CG2-CD2 4.25Å; V44-F83 HydrophobicContact CG2-CE2 3.99Å; L45-F83 HydrophobicContact CB-CD1 3.69Å; L45-F83 HydrophobicContact CB-CE1 3.45Å; L45-F83 VanDerWaalsContact CB-CE1 3.45Å; L45-F83 HydrophobicContact CB-CG 4.34Å; L45-F83 HydrophobicContact CB-CZ 3.95Å; L45-F83 HydrophobicContact CD2-CD1 4.2Å; L45-F83 HydrophobicContact CD2-CE1 3.66Å; L45-F83 HydrophobicContact CG-CE1 4.19Å; F83-F97 HydrophobicContact CD1-CB 4.27Å; F83-F97 HydrophobicContact CD2-CB 4.47Å; F83-F97 HydrophobicContact CD2-CD2 4.17Å; F83-F97 HydrophobicContact CE1-CB 3.9Å; F83-F97 HydrophobicContact CE2-CB 4.1Å; F83-F97 AromaticContact CE2-CD2 3.69Å; F83-F97 HydrophobicContact CE2-CD2 3.69Å; F83-F97 HydrophobicContact CE2-CE2 4.43Å; F83-F97 HydrophobicContact CE2-CG 4.15Å; F83-F97 HydrophobicContact CZ-CB 3.8Å; F83-F97 HydrophobicContact CZ-CD2 4.14Å; F83-F97 HydrophobicContact CZ-CG 4.12Å; F83-F97 PolarHBondContact N-O 3.41Å; F83-F97 PolarHBondContact O-N 3.4Å; F83-F99 HydrophobicContact CD1-CD2 4.19Å; F83-F99 HydrophobicContact CD1-CE2 4.42Å; F83-F99 AromaticContact CE1-CD2 3.6Å; F83-F99 HydrophobicContact CE1-CD2 3.6Å; F83-F99 AromaticContact CE1-CE2 3.42Å; F83-F99 HydrophobicContact CE1-CE2 3.42Å; F83-F99 VanDerWaalsContact CE1-CE2 3.42Å; F83-F99 HydrophobicContact CE1-CZ 4.35Å; F83-F99 HydrophobicContact CZ-CE2 4.03Å; F83-F117 HydrophobicContact CD2-CD1 4.43Å; F83-L118 CarbonylContact C-O 3.57Å; F83-L118 VanDerWaalsContact CA-O 3.29Å; F83-L118 WeakPolarHBondContact CA-O 3.33Å; F83-L118 WeakPolarHBondContact CB-O 3.43Å; F83-N119 HydrophobicContact CB-CB 4.08Å; F83-L358 HydrophobicContact CE2-CD2 3.93Å; F83-L358 HydrophobicContact CZ-CD1 4.2Å; F83-L358 HydrophobicContact CZ-CD2 3.61Å |
| 84 | M | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146 | -160 | -53.7 | 171.7 | -141.8 | 0 | 0 | 110.5 | T66 C69 I70 A82 I93 S95 F117 L118 Y120 | T66-M84 HydrophobicContact CG2-CE 3.99Å; T66-M84 HydrophobicContact CG2-SD 3.83Å; C69-M84 HydrophobicContact CB-CE 3.84Å; C69-M84 HydrophobicContact CB-CG 4.34Å; C69-M84 HydrophobicContact CB-SD 3.79Å; I70-M84 HydrophobicContact CD1-CE 4.44Å; I70-M84 HydrophobicContact CG1-CE 3.86Å; A82-M84 HydrophobicContact CB-CE 4.16Å; M84-I93 HydrophobicContact CB-CB 4.26Å; M84-I93 HydrophobicContact CB-CD1 4.23Å; M84-I93 HydrophobicContact CB-CG2 3.87Å; M84-I93 HydrophobicContact CG-CD1 3.95Å; M84-I93 HydrophobicContact CG-CG2 4.4Å; M84-I93 HydrophobicContact SD-CD1 3.75Å; M84-I93 HydrophobicContact SD-CG2 3.97Å; M84-S95 VanDerWaalsContact CA-O 3.23Å; M84-S95 WeakPolarHBondContact CA-O 3.26Å; M84-F117 WeakPolarHBondContact O-CA 3.1Å; M84-L118 PolarHBondContact N-O 2.92Å; M84-L118 PolarHBondContact O-N 2.8Å; M84-Y120 HydrophobicContact CE-CD2 3.47Å; M84-Y120 VanDerWaalsContact CE-CD2 3.47Å; M84-Y120 HydrophobicContact CE-CE2 4.03Å; M84-Y120 HydrophobicContact CE-CG 4.21Å |
| 85 | E | 92.4 | Very high | 88.1 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.2 | 169.7 | -168 | -162.1 | 159.4 | 0 | 0 | 109.6 | G87 I93 K94 S95 F117 | E85-G87 PolarHBondContact O-N 2.99Å; E85-I93 CarbonylContact O-C 3.56Å; E85-I93 WeakPolarHBondContact O-CA 3.49Å; E85-K94 HydrophobicContact CB-CB 4.38Å; E85-K94 PolarHBondContact O-N 2.77Å; E85-K94 IonicContact OE1-NZ 3.05Å; E85-K94 PolarHBondContact OE1-NZ 2.94Å; E85-S95 PolarHBondContact N-O 2.62Å; E85-S95 VanDerWaalsContact N-O 3.08Å; E85-F117 HydrophobicContact CB-CD1 4.39Å; E85-F117 HydrophobicContact CB-CE1 4.05Å; E85-F117 HydrophobicContact CG-CE1 4.2Å; E85-F117 HydrophobicContact CG-CZ 4.18Å |
| 86 | N | 89.4 | Confident | 88.4 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 130.5 | -178.6 | -82.3 | -12.4 | 0 | 0 | 0 | 112.6 | K94 G116 L118 | N86-K94 PolarHBondContact O-NZ 2.79Å; N86-G116 PolarHBondContact N-O 3.29Å; N86-L118 WeakPolarHBondContact OD1-CD1 3.34Å; N86-L118 WeakPolarHBondContact OD1-CG 3.29Å |
| 87 | G | 86.9 | Confident | 88.8 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | trans | -81.4 | -172.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E85 G89 M92 | E85-G87 PolarHBondContact O-N 2.99Å; G87-G89 VanDerWaalsContact C-N 3.31Å; G87-G89 PolarHBondContact O-N 3.49Å; G87-M92 VanDerWaalsContact CA-O 3.3Å; G87-M92 WeakPolarHBondContact CA-O 3.32Å; G87-M92 PolarHBondContact N-O 3.23Å | ||
| 88 | S | 78.2 | Confident | 89.2 | Confident | 134 Ų | 134 | 43.1 Ų | 43.1 | 94% | 0.937 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -85 | 0.7 | -176.3 | -47.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 89 | G | 75.5 | Confident | 89.5 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 32% | 0.32 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -142.3 | 159 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G87 G91 M92 | G87-G89 VanDerWaalsContact C-N 3.31Å; G87-G89 PolarHBondContact O-N 3.49Å; G89-G91 PolarHBondContact O-N 2.86Å; G89-M92 WeakPolarHBondContact O-CB 3.46Å; G89-M92 PolarHBondContact O-N 2.92Å; G89-M92 VanDerWaalsContact O-N 3.08Å |
| 90 | E | 76.8 | Confident | 89.5 | Confident | 205 Ų | 205 | 40.5 Ų | 40.5 | 96% | 0.958 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 125.9 | -178.3 | -169.7 | 170.6 | -164.1 | 0 | 0 | 111.1 | M92 | E90-M92 PolarHBondContact O-N 3.39Š|
| 91 | G | 78.1 | Confident | 89.6 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -1.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | T66 G89 | T66-G91 PolarHBondContact N-O 3.41Å; T66-G91 VanDerWaalsContact N-O 3.15Å; T66-G91 PolarHBondContact OG1-O 2.89Å; G89-G91 PolarHBondContact O-N 2.86Å |
| 92 | M | 88.4 | Confident | 89.4 | Confident | 120 Ų | 120 | 42.9 Ų | 42.9 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | B | Isolated β-bridge | trans | -89.8 | 140.9 | 174.6 | -65.4 | -177.7 | 171.4 | 0 | 0 | 111.4 | E64 G87 G89 E90 | E64-M92 WeakPolarHBondContact O-CA 3.36Å; G87-M92 VanDerWaalsContact CA-O 3.3Å; G87-M92 WeakPolarHBondContact CA-O 3.32Å; G87-M92 PolarHBondContact N-O 3.23Å; G89-M92 WeakPolarHBondContact O-CB 3.46Å; G89-M92 PolarHBondContact O-N 2.92Å; G89-M92 VanDerWaalsContact O-N 3.08Å; E90-M92 PolarHBondContact O-N 3.39Å |
| 93 | I | 92.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.8 | -179.5 | 61.8 | 173.6 | 0 | 0 | 0 | 110.9 | V63 E64 C69 M84 E85 C96 | V63-I93 HydrophobicContact CG2-CD1 4.35Å; E64-I93 PolarHBondContact O-N 2.9Å; C69-I93 HydrophobicContact CB-CD1 3.78Å; M84-I93 HydrophobicContact CB-CB 4.26Å; M84-I93 HydrophobicContact CB-CD1 4.23Å; M84-I93 HydrophobicContact CB-CG2 3.87Å; M84-I93 HydrophobicContact CG-CD1 3.95Å; M84-I93 HydrophobicContact CG-CG2 4.4Å; M84-I93 HydrophobicContact SD-CD1 3.75Å; M84-I93 HydrophobicContact SD-CG2 3.97Å; E85-I93 CarbonylContact O-C 3.56Å; E85-I93 WeakPolarHBondContact O-CA 3.49Å; I93-C96 HydrophobicContact CD1-CB 3.88Å |
| 94 | K | 91.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -25.9 | 175.1 | -52.8 | -161.9 | -161 | 79.7 | 0 | 113 | E85 N86 | E85-K94 HydrophobicContact CB-CB 4.38Å; E85-K94 PolarHBondContact O-N 2.77Å; E85-K94 IonicContact OE1-NZ 3.05Å; E85-K94 PolarHBondContact OE1-NZ 2.94Å; N86-K94 PolarHBondContact O-NZ 2.79Å |
| 95 | S | 92.5 | Very high | 88.7 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 148.6 | -178.2 | -80 | 0 | 0 | 0 | 0 | 110 | K60 M84 E85 | K60-S95 WeakPolarHBondContact CE-OG 3.49Å; K60-S95 PolarHBondContact NZ-OG 3.4Å; K60-S95 VanDerWaalsContact NZ-OG 3.16Å; M84-S95 VanDerWaalsContact CA-O 3.23Å; M84-S95 WeakPolarHBondContact CA-O 3.26Å; E85-S95 PolarHBondContact N-O 2.62Å; E85-S95 VanDerWaalsContact N-O 3.08Å |
| 96 | C | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.8 | 179.6 | 167.6 | 0 | 0 | 0 | 0 | 108 | K60 P61 V63 C69 I93 | K60-C96 WeakPolarHBondContact CA-O 3.4Å; K60-C96 WeakPolarHBondContact CG-O 3.28Å; P61-C96 WeakPolarHBondContact CD-O 3.45Å; V63-C96 HydrophobicContact CG2-CB 3.68Å; C69-C96 WeakPolarHBondContact CA-SG 3.42Å; C69-C96 HydrophobicContact CB-CB 3.72Å; C69-C96 WeakPolarHBondContact CB-SG 3.43Å; C69-C96 WeakPolarHBondContact SG-CB 3.41Å; C69-C96 CovalentContact SG-SG 2.02Å; C69-C96 PolarHBondContact SG-SG 3.45Å; I93-C96 HydrophobicContact CD1-CB 3.88Å |
| 97 | F | 94.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.4 | 178 | -58 | -86.4 | 0 | 0 | 0 | 109.9 | F57 K60 A82 F83 F99 I357 L358 | F57-F97 HydrophobicContact CE2-CD1 4.24Å; K60-F97 HydrophobicContact CB-CD1 3.97Å; K60-F97 HydrophobicContact CB-CE1 4.15Å; K60-F97 HydrophobicContact CD-CD1 4.3Å; K60-F97 HydrophobicContact CD-CE1 3.67Å; K60-F97 HydrophobicContact CD-CZ 4.18Å; K60-F97 HydrophobicContact CG-CD1 3.75Å; K60-F97 HydrophobicContact CG-CE1 3.64Å; K60-F97 HydrophobicContact CG-CZ 4.33Å; A82-F97 WeakPolarHBondContact CA-O 3.13Å; F83-F97 HydrophobicContact CD1-CB 4.27Å; F83-F97 HydrophobicContact CD2-CB 4.47Å; F83-F97 HydrophobicContact CD2-CD2 4.17Å; F83-F97 HydrophobicContact CE1-CB 3.9Å; F83-F97 HydrophobicContact CE2-CB 4.1Å; F83-F97 AromaticContact CE2-CD2 3.69Å; F83-F97 HydrophobicContact CE2-CD2 3.69Å; F83-F97 HydrophobicContact CE2-CE2 4.43Å; F83-F97 HydrophobicContact CE2-CG 4.15Å; F83-F97 HydrophobicContact CZ-CB 3.8Å; F83-F97 HydrophobicContact CZ-CD2 4.14Å; F83-F97 HydrophobicContact CZ-CG 4.12Å; F83-F97 PolarHBondContact N-O 3.41Å; F83-F97 PolarHBondContact O-N 3.4Å; F97-F99 HydrophobicContact CB-CE2 4.29Å; F97-I357 HydrophobicContact CZ-CG2 4.4Å; F97-L358 HydrophobicContact CB-CD1 4.43Å; F97-L358 HydrophobicContact CD1-CD1 3.77Å; F97-L358 HydrophobicContact CD1-CD2 3.59Å; F97-L358 HydrophobicContact CD1-CG 3.88Å; F97-L358 HydrophobicContact CD2-CD2 3.87Å; F97-L358 HydrophobicContact CE1-CD1 4.25Å; F97-L358 HydrophobicContact CE1-CD2 3.51Å; F97-L358 HydrophobicContact CE1-CG 3.86Å; F97-L358 HydrophobicContact CE2-CD2 3.8Å; F97-L358 HydrophobicContact CG-CD1 4.23Å; F97-L358 HydrophobicContact CG-CD2 3.76Å; F97-L358 HydrophobicContact CG-CG 4.44Å; F97-L358 HydrophobicContact CZ-CD2 3.61Å; F97-L358 HydrophobicContact CZ-CG 4.41Å |
| 98 | L | 95.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.2 | -174.7 | -59.4 | -172.7 | 0 | 0 | 0 | 110.6 | I58 I59 P61 C73 A82 | I58-L98 HydrophobicContact CB-CB 4.22Å; I58-L98 WeakPolarHBondContact CB-O 3.44Å; I58-L98 PolarHBondContact N-O 3.36Å; I59-L98 HydrophobicContact CG2-CB 4.34Å; I59-L98 HydrophobicContact CG2-CD1 3.91Å; I59-L98 HydrophobicContact CG2-CG 4.41Å; I59-L98 PolarHBondContact O-N 2.82Å; P61-L98 HydrophobicContact CG-CD1 3.51Å; P61-L98 HydrophobicContact CG-CG 3.77Å; C73-L98 HydrophobicContact CB-CD1 4.35Å; C73-L98 HydrophobicContact CB-CD2 3.75Å; A82-L98 HydrophobicContact CB-CD2 3.63Å |
| 99 | F | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.8 | -177.2 | -84.2 | -100.4 | 0 | 0 | 0 | 112 | L45 T47 V51 F57 N80 V81 F83 F97 L358 | L45-F99 HydrophobicContact CD2-CB 4.47Å; L45-F99 HydrophobicContact CD2-CD1 3.69Å; L45-F99 HydrophobicContact CD2-CD2 3.85Å; L45-F99 HydrophobicContact CD2-CE1 3.77Å; L45-F99 HydrophobicContact CD2-CE2 3.95Å; L45-F99 HydrophobicContact CD2-CG 3.73Å; L45-F99 HydrophobicContact CD2-CZ 3.9Å; T47-F99 HydrophobicContact CG2-CE1 4.15Å; T47-F99 HydrophobicContact CG2-CZ 3.83Å; V51-F99 HydrophobicContact CG2-CE1 4.16Å; F57-F99 HydrophobicContact CB-CD1 4.37Å; F57-F99 HydrophobicContact CB-CE1 3.74Å; F57-F99 HydrophobicContact CB-CZ 3.82Å; F57-F99 HydrophobicContact CD2-CD2 4.12Å; F57-F99 HydrophobicContact CD2-CE1 4.27Å; F57-F99 AromaticContact CD2-CE2 3.49Å; F57-F99 HydrophobicContact CD2-CE2 3.49Å; F57-F99 VanDerWaalsContact CD2-CE2 3.49Å; F57-F99 AromaticContact CD2-CZ 3.59Å; F57-F99 HydrophobicContact CD2-CZ 3.59Å; F57-F99 HydrophobicContact CE2-CE2 4.16Å; F57-F99 HydrophobicContact CG-CE1 4.46Å; F57-F99 HydrophobicContact CG-CE2 4.39Å; F57-F99 HydrophobicContact CG-CZ 4.05Å; N80-F99 PolarHBondContact N-O 2.77Å; N80-F99 PolarHBondContact OD1-O 3.42Å; V81-F99 HydrophobicContact CB-CB 4.4Å; V81-F99 PolarHBondContact N-O 2.78Å; V81-F99 PolarHBondContact O-N 3.01Å; F83-F99 HydrophobicContact CD1-CD2 4.19Å; F83-F99 HydrophobicContact CD1-CE2 4.42Å; F83-F99 AromaticContact CE1-CD2 3.6Å; F83-F99 HydrophobicContact CE1-CD2 3.6Å; F83-F99 AromaticContact CE1-CE2 3.42Å; F83-F99 HydrophobicContact CE1-CE2 3.42Å; F83-F99 VanDerWaalsContact CE1-CE2 3.42Å; F83-F99 HydrophobicContact CE1-CZ 4.35Å; F83-F99 HydrophobicContact CZ-CE2 4.03Å; F97-F99 HydrophobicContact CB-CE2 4.29Å; F99-L358 HydrophobicContact CE2-CD1 3.57Å; F99-L358 HydrophobicContact CZ-CD1 3.56Å |
| 100 | D | 93.7 | Very high | 89.1 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113 | 156.2 | -172.7 | -3.3 | 0 | 0 | 0 | 107.9 | A55 T56 I58 K78 N80 L102 | A55-D100 CarbonylContact C-O 3.5Å; A55-D100 WeakPolarHBondContact CA-O 3.39Å; A55-D100 WeakPolarHBondContact CB-O 3.34Å; T56-D100 PolarHBondContact N-O 3.38Å; T56-D100 PolarHBondContact O-N 3.48Å; I58-D100 HydrophobicContact CD1-CB 4.28Å; I58-D100 HydrophobicContact CG1-CB 4.47Å; K78-D100 HydrophobicContact CB-CB 4.13Å; K78-D100 WeakPolarHBondContact O-CB 3.48Å; K78-D100 VanDerWaalsContact O-CG 3.29Å; N80-D100 PolarHBondContact ND2-OD1 3.41Å; D100-L102 PolarHBondContact OD1-N 2.96Å |
| 101 | C | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -101.1 | 9 | -179.3 | -71.6 | 0 | 0 | 0 | 0 | 113.4 | N80 V81 Y107 V108 C109 | N80-C101 PolarHBondContact ND2-N 3.07Å; N80-C101 WeakPolarHBondContact OD1-CB 3.09Å; N80-C101 PolarHBondContact OD1-N 3.12Å; V81-C101 VanDerWaalsContact CB-SG 3.58Å; V81-C101 HydrophobicContact CG2-CB 3.84Å; V81-C101 WeakPolarHBondContact CG2-SG 3.35Å; C101-Y107 HydrophobicContact CB-CD2 3.93Å; C101-Y107 HydrophobicContact CB-CE2 3.46Å; C101-Y107 VanDerWaalsContact CB-CE2 3.46Å; C101-Y107 WeakPolarHBondContact O-CD2 3.38Å; C101-V108 WeakPolarHBondContact O-CG2 3.29Å; C101-V108 PolarHBondContact O-N 2.81Å; C101-C109 WeakPolarHBondContact CA-SG 2.92Å; C101-C109 HydrophobicContact CB-CB 3.46Å; C101-C109 VanDerWaalsContact CB-CB 3.46Å; C101-C109 WeakPolarHBondContact CB-SG 3.2Å; C101-C109 WeakPolarHBondContact SG-CB 3.44Å; C101-C109 CovalentContact SG-SG 2.01Å; C101-C109 PolarHBondContact SG-SG 3.48Å | ||
| 102 | L | 90.4 | Very high | 90.1 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 30% | 0.304 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109 | 177.7 | -68.7 | 177.2 | 0 | 0 | 0 | 110.7 | D100 Q106 Y107 V125 | D100-L102 PolarHBondContact OD1-N 2.96Å; L102-Q106 CarbonylContact C-O 3.55Å; L102-Q106 WeakPolarHBondContact CA-O 3.23Å; L102-Y107 HydrophobicContact CD2-CD2 4.47Å; L102-V125 HydrophobicContact CD1-CG2 3.84Å; L102-V125 HydrophobicContact CD2-CG1 3.98Å; L102-V125 HydrophobicContact CD2-CG2 4.16Å; L102-V125 HydrophobicContact CG-CG1 4.48Å; L102-V125 HydrophobicContact CG-CG2 4.1Å |
| 103 | Y | 91 | Very high | 90 | Very high | 32 Ų | 32 | 32 Ų | 32 | 13% | 0.125 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.8 | 166.1 | -168.9 | -102.8 | 0 | 0 | 0 | 109.3 | Q105 Q106 L280 E284 | Y103-Q105 PolarHBondContact O-N 3.29Å; Y103-Q106 PolarHBondContact N-O 2.74Å; Y103-Q106 WeakPolarHBondContact O-CB 3.39Å; Y103-Q106 PolarHBondContact O-N 2.89Å; Y103-L280 HydrophobicContact CD1-CD1 3.37Å; Y103-L280 HydrophobicContact CD1-CG 4.18Å; Y103-L280 HydrophobicContact CD2-CD1 4.31Å; Y103-L280 HydrophobicContact CE1-CB 4.23Å; Y103-L280 HydrophobicContact CE1-CD1 3.3Å; Y103-L280 HydrophobicContact CE1-CG 3.64Å; Y103-L280 HydrophobicContact CE2-CD1 4.28Å; Y103-L280 HydrophobicContact CE2-CG 4.15Å; Y103-L280 HydrophobicContact CG-CD1 3.89Å; Y103-L280 PolarHBondContact OH-N 3.17Å; Y103-E284 WeakPolarHBondContact CE1-OE2 3.25Å; Y103-E284 PolarHBondContact OH-OE2 2.89Å |
| 104 | K | 89.4 | Confident | 89.9 | Confident | 40 Ų | 40 | 34 Ų | 34 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 48 | 175.3 | -69.6 | 174.4 | 172.7 | 178.5 | 0 | 113.2 | Q106 P149 D150 E284 | K104-Q106 PolarHBondContact O-N 3.28Å; K104-P149 HydrophobicContact CB-CB 3.85Å; K104-P149 WeakPolarHBondContact O-CA 3.33Å; K104-D150 HydrophobicContact CB-CB 3.92Å; K104-D150 WeakPolarHBondContact CD-O 3.37Å; K104-D150 HydrophobicContact CG-CB 4.41Å; K104-D150 PolarHBondContact O-N 3.13Å; K104-E284 IonicContact NZ-OE2 3.46Å; K104-E284 PolarHBondContact NZ-OE2 2.87Å |
| 105 | Q | 83.8 | Confident | 89.8 | Confident | 111 Ų | 111 | 36.2 Ų | 36.2 | 52% | 0.519 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -1.8 | -172.2 | -61.1 | -170.2 | 85 | 0 | 0 | 116.2 | Y103 D150 | Y103-Q105 PolarHBondContact O-N 3.29Å; Q105-D150 WeakPolarHBondContact CG-OD2 3.4Å; Q105-D150 VanDerWaalsContact NE2-CG 3.27Å; Q105-D150 PolarHBondContact NE2-OD1 2.8Å; Q105-D150 PolarHBondContact NE2-OD2 2.67Å; Q105-D150 VanDerWaalsContact NE2-OD2 3.07Å |
| 106 | Q | 83.5 | Confident | 89.7 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.3 | 172.9 | -174 | 167.2 | 19.8 | 0 | 0 | 111.1 | L102 Y103 K104 V108 | L102-Q106 CarbonylContact C-O 3.55Å; L102-Q106 WeakPolarHBondContact CA-O 3.23Å; Y103-Q106 PolarHBondContact N-O 2.74Å; Y103-Q106 WeakPolarHBondContact O-CB 3.39Å; Y103-Q106 PolarHBondContact O-N 2.89Å; K104-Q106 PolarHBondContact O-N 3.28Å; Q106-V108 HydrophobicContact CG-CG1 4.39Å |
| 107 | Y | 85.4 | Confident | 89.5 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.1 | 170.5 | -169.4 | -105.2 | 0 | 0 | 0 | 111.6 | V81 C101 L102 C109 F111 V125 D129 | V81-Y107 HydrophobicContact CG2-CE2 4.42Å; C101-Y107 HydrophobicContact CB-CD2 3.93Å; C101-Y107 HydrophobicContact CB-CE2 3.46Å; C101-Y107 VanDerWaalsContact CB-CE2 3.46Å; C101-Y107 WeakPolarHBondContact O-CD2 3.38Å; L102-Y107 HydrophobicContact CD2-CD2 4.47Å; Y107-C109 HydrophobicContact CE1-CB 3.91Å; Y107-C109 WeakPolarHBondContact CE1-O 3.34Å; Y107-C109 HydrophobicContact CE2-CB 4.01Å; Y107-C109 WeakPolarHBondContact OH-CB 2.98Å; Y107-F111 VanDerWaalsContact OH-CE2 3.25Å; Y107-F111 WeakPolarHBondContact OH-CE2 3.17Å; Y107-V125 HydrophobicContact CD2-CG1 3.19Å; Y107-V125 HydrophobicContact CE2-CG1 3.45Å; Y107-V125 VanDerWaalsContact CE2-CG1 3.45Å; Y107-V125 HydrophobicContact CG-CG1 4.2Å; Y107-D129 VanDerWaalsContact CD1-CG 3.5Å; Y107-D129 WeakPolarHBondContact CD1-OD1 3.37Å; Y107-D129 WeakPolarHBondContact CD1-OD2 3.44Å; Y107-D129 VanDerWaalsContact CE1-OD2 3.23Å; Y107-D129 WeakPolarHBondContact CE1-OD2 3.28Å; Y107-D129 VanDerWaalsContact CG-OD2 3.23Å |
| 108 | V | 87.1 | Confident | 89.3 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | trans | -134 | 0.1 | -172.7 | -64.4 | 0 | 0 | 0 | 0 | 114.3 | Y53 A55 C101 Q106 | Y53-V108 WeakPolarHBondContact O-CB 3.32Å; Y53-V108 VanDerWaalsContact O-CG1 3.31Å; Y53-V108 WeakPolarHBondContact O-CG1 3.37Å; A55-V108 HydrophobicContact CB-CG2 4.16Å; C101-V108 WeakPolarHBondContact O-CG2 3.29Å; C101-V108 PolarHBondContact O-N 2.81Å; Q106-V108 HydrophobicContact CG-CG1 4.39Å | ||
| 109 | C | 88.9 | Confident | 89 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | trans | -80.6 | 150.5 | 177.9 | -86.4 | 0 | 0 | 0 | 0 | 112.6 | L45 C101 Y107 | L45-C109 HydrophobicContact CD1-CB 3.56Å; C101-C109 WeakPolarHBondContact CA-SG 2.92Å; C101-C109 HydrophobicContact CB-CB 3.46Å; C101-C109 VanDerWaalsContact CB-CB 3.46Å; C101-C109 WeakPolarHBondContact CB-SG 3.2Å; C101-C109 WeakPolarHBondContact SG-CB 3.44Å; C101-C109 CovalentContact SG-SG 2.01Å; C101-C109 PolarHBondContact SG-SG 3.48Å; Y107-C109 HydrophobicContact CE1-CB 3.91Å; Y107-C109 WeakPolarHBondContact CE1-O 3.34Å; Y107-C109 HydrophobicContact CE2-CB 4.01Å; Y107-C109 WeakPolarHBondContact OH-CB 2.98Å | ||
| 110 | R | 85.9 | Confident | 88.8 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -131.1 | 129.4 | -174.8 | -175.2 | 177.5 | -165.1 | 145.7 | -0.5 | 110.5 | L45 D46 D49 S50 V368 E372 | L45-R110 CarbonylContact C-O 3.1Å; L45-R110 WeakPolarHBondContact CA-O 3.26Å; L45-R110 WeakPolarHBondContact CD1-O 3.12Å; D46-R110 HydrophobicContact CB-CB 4.32Å; D46-R110 HydrophobicContact CB-CG 4.36Å; D46-R110 PolarHBondContact N-O 3.32Å; D49-R110 WeakPolarHBondContact OD2-CD 3.4Å; D49-R110 IonicContact OD2-CZ 2.64Å; D49-R110 IonicContact OD2-NE 3.31Å; D49-R110 IonicContact OD2-NH1 3.4Å; D49-R110 PolarHBondContact OD2-NH1 2.84Å; S50-R110 PolarHBondContact OG-N 3.26Å; R110-V368 VanDerWaalsContact NH2-CG1 3.35Å; R110-V368 PolarHBondContact NH2-O 3.33Å; R110-E372 IonicContact CZ-OE2 3.79Å; R110-E372 IonicContact NH1-OE1 2.77Å; R110-E372 IonicContact NH1-OE2 3.83Å; R110-E372 PolarHBondContact NH1-OE2 2.92Å; R110-E372 IonicContact NH2-OE2 3.55Å; R110-E372 PolarHBondContact NH2-OE2 2.81Å | ||
| 111 | F | 87.3 | Confident | 88.5 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 140.6 | 176.8 | -68.8 | -81 | 0 | 0 | 0 | 111.9 | F43 V44 L45 V81 Y107 N119 I121 F429 | F43-F111 HydrophobicContact CB-CB 4.36Å; F43-F111 HydrophobicContact CD1-CB 4.16Å; V44-F111 WeakPolarHBondContact O-CA 3.4Å; L45-F111 HydrophobicContact CB-CD1 4.39Å; L45-F111 HydrophobicContact CB-CE1 4.15Å; L45-F111 HydrophobicContact CD1-CD1 4.37Å; L45-F111 HydrophobicContact CD1-CE1 4.03Å; L45-F111 HydrophobicContact CD1-CE2 4.47Å; L45-F111 HydrophobicContact CD1-CZ 4.1Å; V81-F111 HydrophobicContact CG1-CZ 3.88Å; Y107-F111 VanDerWaalsContact OH-CE2 3.25Å; Y107-F111 WeakPolarHBondContact OH-CE2 3.17Å; F111-N119 HydrophobicContact CE1-CB 3.78Å; F111-N119 HydrophobicContact CZ-CB 4.18Å; F111-I121 HydrophobicContact CE2-CD1 3.56Å; F111-I121 HydrophobicContact CE2-CG1 4.5Å; F111-I121 HydrophobicContact CZ-CD1 3.89Å; F111-I121 HydrophobicContact CZ-CG1 4.38Å; F111-F429 HydrophobicContact CB-CB 3.74Å; F111-F429 HydrophobicContact CB-CD1 3.79Å; F111-F429 HydrophobicContact CB-CD2 3.63Å; F111-F429 HydrophobicContact CB-CE1 4.3Å; F111-F429 HydrophobicContact CB-CE2 4.14Å; F111-F429 HydrophobicContact CB-CG 3.42Å; F111-F429 VanDerWaalsContact CB-CG 3.42Å; F111-F429 HydrophobicContact CB-CZ 4.44Å; F111-F429 HydrophobicContact CD1-CE2 4.36Å; F111-F429 HydrophobicContact CD1-CZ 4.38Å; F111-F429 AromaticContact CD2-CD1 3.34Å; F111-F429 HydrophobicContact CD2-CD1 3.34Å; F111-F429 HydrophobicContact CD2-CD2 4.3Å; F111-F429 AromaticContact CD2-CE1 3.2Å; F111-F429 HydrophobicContact CD2-CE1 3.2Å; F111-F429 HydrophobicContact CD2-CE2 4.17Å; F111-F429 AromaticContact CD2-CG 3.91Å; F111-F429 HydrophobicContact CD2-CG 3.91Å; F111-F429 AromaticContact CD2-CZ 3.64Å; F111-F429 HydrophobicContact CD2-CZ 3.64Å; F111-F429 HydrophobicContact CE2-CD1 4.13Å; F111-F429 AromaticContact CE2-CE1 3.52Å; F111-F429 HydrophobicContact CE2-CE1 3.52Å; F111-F429 AromaticContact CE2-CZ 3.81Å; F111-F429 HydrophobicContact CE2-CZ 3.81Å; F111-F429 AromaticContact CG-CD1 3.83Å; F111-F429 HydrophobicContact CG-CD1 3.83Å; F111-F429 AromaticContact CG-CD2 3.98Å; F111-F429 HydrophobicContact CG-CD2 3.98Å; F111-F429 AromaticContact CG-CE1 3.85Å; F111-F429 HydrophobicContact CG-CE1 3.85Å; F111-F429 AromaticContact CG-CE2 3.98Å; F111-F429 HydrophobicContact CG-CE2 3.98Å; F111-F429 AromaticContact CG-CG 3.9Å; F111-F429 HydrophobicContact CG-CG 3.9Å; F111-F429 AromaticContact CG-CZ 3.91Å; F111-F429 HydrophobicContact CG-CZ 3.91Å; F111-F429 HydrophobicContact CZ-CE1 4.42Å; F111-F429 HydrophobicContact CZ-CZ 4.29Å |
| 112 | V | 87.5 | Confident | 88.2 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.3 | 179.3 | -176 | 0 | 0 | 0 | 0 | 109.2 | F43 V44 D46 K114 V363 V368 | F43-V112 WeakPolarHBondContact CA-O 3.41Å; F43-V112 VanDerWaalsContact CD1-C 3.47Å; V44-V112 PolarHBondContact N-O 3.23Å; V44-V112 PolarHBondContact O-N 3.17Å; D46-V112 HydrophobicContact CB-CG2 3.97Å; V112-K114 PolarHBondContact O-N 3.47Å; V112-K114 VanDerWaalsContact O-N 3.11Å; V112-V363 HydrophobicContact CB-CG1 3.67Å; V112-V363 HydrophobicContact CG1-CG1 3.56Å; V112-V363 HydrophobicContact CG2-CG1 3.68Å; V112-V368 HydrophobicContact CB-CG2 4.35Å; V112-V368 HydrophobicContact CG1-CG2 3.99Å; V112-V368 HydrophobicContact CG2-CB 4.42Å; V112-V368 HydrophobicContact CG2-CG2 3.48Å; V112-V368 VanDerWaalsContact CG2-CG2 3.48Å |
| 113 | R | 87.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 114.3 | -176.4 | -167.1 | -169.1 | -173 | 177.3 | 4.5 | 111.5 | D42 F43 K426 D427 | D42-R113 CarbonylContact O-C 3.56Å; D42-R113 VanDerWaalsContact O-CA 3.29Å; D42-R113 WeakPolarHBondContact O-CA 3.25Å; D42-R113 WeakPolarHBondContact O-CG 3.4Å; F43-R113 HydrophobicContact CD1-CB 4.17Å; F43-R113 HydrophobicContact CD2-CG 4.44Å; F43-R113 HydrophobicContact CE1-CB 3.74Å; F43-R113 HydrophobicContact CE1-CG 4.39Å; F43-R113 HydrophobicContact CE2-CB 4.21Å; F43-R113 HydrophobicContact CE2-CG 3.96Å; F43-R113 HydrophobicContact CZ-CB 3.76Å; F43-R113 HydrophobicContact CZ-CG 3.94Å; R113-K426 VanDerWaalsContact CD-O 3.28Å; R113-K426 WeakPolarHBondContact CD-O 3.18Å; R113-K426 PolarHBondContact NE-O 3.36Å; R113-K426 PolarHBondContact NH1-O 3.15Å; R113-D427 WeakPolarHBondContact CD-OD1 3.17Å; R113-D427 IonicContact CZ-OD1 3.95Å; R113-D427 IonicContact NE-OD1 3.88Å; R113-D427 IonicContact NH1-OD1 2.69Å; R113-D427 PolarHBondContact NH1-OD1 2.87Å |
| 114 | K | 89.1 | Confident | 85.9 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | trans | -147.7 | 124 | 177.4 | -170.6 | -174.1 | -176.2 | 91.8 | 0 | 110.3 | D42 V44 V112 F117 I361 P362 | D42-K114 CarbonylContact C-O 3.58Å; D42-K114 VanDerWaalsContact CA-O 3.24Å; D42-K114 WeakPolarHBondContact CA-O 3.45Å; D42-K114 CarbonylContact O-C 3.5Å; D42-K114 PolarHBondContact O-N 3.07Å; D42-K114 VanDerWaalsContact O-O 3.12Å; V44-K114 HydrophobicContact CB-CB 4.09Å; V44-K114 HydrophobicContact CB-CD 4.16Å; V44-K114 HydrophobicContact CG1-CB 3.63Å; V44-K114 HydrophobicContact CG1-CD 3.67Å; V44-K114 HydrophobicContact CG1-CG 4.3Å; V112-K114 PolarHBondContact O-N 3.47Å; V112-K114 VanDerWaalsContact O-N 3.11Å; K114-F117 HydrophobicContact CB-CD2 4.32Å; K114-F117 HydrophobicContact CD-CD2 3.89Å; K114-F117 HydrophobicContact CD-CE2 3.51Å; K114-F117 HydrophobicContact CD-CZ 4.27Å; K114-F117 HydrophobicContact CG-CD2 4.04Å; K114-F117 HydrophobicContact CG-CE2 4.04Å; K114-I361 HydrophobicContact CD-CG2 3.49Å; K114-I361 VanDerWaalsContact CD-CG2 3.49Å; K114-I361 VanDerWaalsContact CE-CG2 3.42Å; K114-P362 VanDerWaalsContact NZ-CD 3.35Å; K114-P362 PolarHBondContact NZ-O 3.23Å | ||
| 115 | K | 89.8 | Confident | 84.5 | Confident | 163 Ų | 163 | 42.9 Ų | 42.9 | 71% | 0.709 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 144.2 | -175.2 | -65.3 | -163.3 | 170.4 | -171.9 | 0 | 113.8 | D42 F117 | D42-K115 HydrophobicContact CB-CG 4.43Å; D42-K115 WeakPolarHBondContact OD1-CA 3.29Å; K115-F117 WeakPolarHBondContact O-CD2 3.44Å |
| 116 | G | 89.8 | Confident | 83.2 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 17.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D42 N86 | D42-G116 PolarHBondContact OD1-N 3.39Å; N86-G116 PolarHBondContact N-O 3.29Å |
| 117 | F | 91.4 | Very high | 81.7 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.3 | 175.1 | -70.6 | -93.8 | 0 | 0 | 0 | 111.4 | D42 F43 V44 F83 M84 E85 K114 K115 I361 | D42-F117 PolarHBondContact N-O 2.7Å; F43-F117 VanDerWaalsContact O-CB 3.28Å; F43-F117 WeakPolarHBondContact O-CB 3.43Å; V44-F117 HydrophobicContact CB-CB 4.2Å; V44-F117 HydrophobicContact CB-CD1 4.08Å; V44-F117 HydrophobicContact CB-CD2 4.17Å; V44-F117 HydrophobicContact CB-CG 3.87Å; V44-F117 HydrophobicContact CG2-CD1 3.59Å; V44-F117 HydrophobicContact CG2-CD2 4.37Å; V44-F117 HydrophobicContact CG2-CE1 3.76Å; V44-F117 HydrophobicContact CG2-CG 3.92Å; V44-F117 HydrophobicContact CG2-CZ 4.25Å; F83-F117 HydrophobicContact CD2-CD1 4.43Å; M84-F117 WeakPolarHBondContact O-CA 3.1Å; E85-F117 HydrophobicContact CB-CD1 4.39Å; E85-F117 HydrophobicContact CB-CE1 4.05Å; E85-F117 HydrophobicContact CG-CE1 4.2Å; E85-F117 HydrophobicContact CG-CZ 4.18Å; K114-F117 HydrophobicContact CB-CD2 4.32Å; K114-F117 HydrophobicContact CD-CD2 3.89Å; K114-F117 HydrophobicContact CD-CE2 3.51Å; K114-F117 HydrophobicContact CD-CZ 4.27Å; K114-F117 HydrophobicContact CG-CD2 4.04Å; K114-F117 HydrophobicContact CG-CE2 4.04Å; K115-F117 WeakPolarHBondContact O-CD2 3.44Å; F117-I361 HydrophobicContact CE1-CD1 4.29Å; F117-I361 HydrophobicContact CZ-CD1 4.36Å |
| 118 | L | 90.1 | Very high | 79.8 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.7 | 171.1 | -68.6 | 178.5 | 0 | 0 | 0 | 109.4 | E41 F83 M84 N86 | E41-L118 HydrophobicContact CB-CD2 3.86Å; E41-L118 HydrophobicContact CG-CD2 3.52Å; F83-L118 CarbonylContact C-O 3.57Å; F83-L118 VanDerWaalsContact CA-O 3.29Å; F83-L118 WeakPolarHBondContact CA-O 3.33Å; F83-L118 WeakPolarHBondContact CB-O 3.43Å; M84-L118 PolarHBondContact N-O 2.92Å; M84-L118 PolarHBondContact O-N 2.8Å; N86-L118 WeakPolarHBondContact OD1-CD1 3.34Å; N86-L118 WeakPolarHBondContact OD1-CG 3.29Å |
| 119 | N | 90.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.8 | -179.5 | 46.5 | 77 | 0 | 0 | 0 | 109.2 | G39 R40 F43 F83 F111 F429 | G39-N119 VanDerWaalsContact C-OD1 3.27Å; G39-N119 WeakPolarHBondContact CA-OD1 3.43Å; G39-N119 PolarHBondContact N-O 3.18Å; R40-N119 PolarHBondContact N-OD1 3.03Å; R40-N119 PolarHBondContact O-ND2 2.94Å; F43-N119 PolarHBondContact O-ND2 2.93Å; F43-N119 VanDerWaalsContact O-ND2 3.11Å; F83-N119 HydrophobicContact CB-CB 4.08Å; F111-N119 HydrophobicContact CE1-CB 3.78Å; F111-N119 HydrophobicContact CZ-CB 4.18Å; N119-F429 VanDerWaalsContact OD1-CE2 3.3Å; N119-F429 WeakPolarHBondContact OD1-CE2 3.3Å; N119-F429 VanDerWaalsContact OD1-CZ 3.23Å; N119-F429 WeakPolarHBondContact OD1-CZ 3.37Å |
| 120 | Y | 89.9 | Confident | 75.7 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 14% | 0.137 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131 | 175.1 | -77.2 | -101.2 | 0 | 0 | 0 | 107.5 | F36 E37 K38 T66 I70 V81 A82 M84 | F36-Y120 HydrophobicContact CB-CD1 4.41Å; E37-Y120 WeakPolarHBondContact O-CA 3.49Å; K38-Y120 HydrophobicContact CB-CD1 4.1Å; K38-Y120 HydrophobicContact CB-CE1 3.6Å; K38-Y120 HydrophobicContact CG-CE1 4.02Å; K38-Y120 HydrophobicContact CG-CE2 4.13Å; T66-Y120 HydrophobicContact CG2-CD2 4.27Å; T66-Y120 HydrophobicContact CG2-CE2 3.43Å; T66-Y120 VanDerWaalsContact CG2-CE2 3.43Å; I70-Y120 HydrophobicContact CD1-CD1 3.48Å; I70-Y120 VanDerWaalsContact CD1-CD1 3.48Å; I70-Y120 HydrophobicContact CD1-CD2 4.17Å; I70-Y120 HydrophobicContact CD1-CE1 3.66Å; I70-Y120 HydrophobicContact CD1-CE2 4.35Å; I70-Y120 HydrophobicContact CD1-CG 3.74Å; I70-Y120 HydrophobicContact CG1-CD1 4.31Å; I70-Y120 HydrophobicContact CG1-CG 4.13Å; V81-Y120 WeakPolarHBondContact CA-O 3.22Å; A82-Y120 PolarHBondContact N-O 3.34Å; A82-Y120 PolarHBondContact O-N 3.37Å; M84-Y120 HydrophobicContact CE-CD2 3.47Å; M84-Y120 VanDerWaalsContact CE-CD2 3.47Å; M84-Y120 HydrophobicContact CE-CE2 4.03Å; M84-Y120 HydrophobicContact CE-CG 4.21Å |
| 121 | I | 88.1 | Confident | 73.6 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.6 | -173.9 | -54.5 | -177.2 | 0 | 0 | 0 | 107.6 | F36 E37 N80 V81 F111 V125 F429 I431 | F36-I121 CarbonylContact C-O 3.42Å; F36-I121 WeakPolarHBondContact CA-O 3.24Å; E37-I121 PolarHBondContact N-O 3.38Å; E37-I121 PolarHBondContact O-N 2.7Å; N80-I121 WeakPolarHBondContact O-CA 3.25Å; V81-I121 HydrophobicContact CG2-CG1 4.12Å; V81-I121 HydrophobicContact CG2-CG2 4.16Å; F111-I121 HydrophobicContact CE2-CD1 3.56Å; F111-I121 HydrophobicContact CE2-CG1 4.5Å; F111-I121 HydrophobicContact CZ-CD1 3.89Å; F111-I121 HydrophobicContact CZ-CG1 4.38Å; I121-V125 HydrophobicContact CG2-CB 4.33Å; I121-V125 HydrophobicContact CG2-CG1 4.43Å; I121-F429 HydrophobicContact CD1-CE1 3.74Å; I121-F429 HydrophobicContact CD1-CZ 3.89Å; I121-I431 HydrophobicContact CD1-CD1 4.01Å |
| 122 | R | 85.2 | Confident | 71.5 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.2 | -179.3 | -167.2 | -169.9 | -74.4 | -82.5 | 7.8 | 111 | S35 F36 C79 N80 V124 V125 Y126 | S35-R122 VanDerWaalsContact O-CA 3.3Å; S35-R122 WeakPolarHBondContact O-CA 3.38Å; S35-R122 VanDerWaalsContact O-CG 3.25Å; S35-R122 WeakPolarHBondContact O-CG 3.46Å; S35-R122 PolarHBondContact OG-NH1 2.53Å; F36-R122 HydrophobicContact CD1-CB 4.2Å; F36-R122 HydrophobicContact CE1-CB 3.86Å; F36-R122 HydrophobicContact CE2-CB 4.43Å; F36-R122 HydrophobicContact CE2-CG 4.33Å; F36-R122 HydrophobicContact CZ-CB 3.97Å; F36-R122 HydrophobicContact CZ-CG 4.29Å; C79-R122 PolarHBondContact O-NE 2.84Å; C79-R122 PolarHBondContact O-NH2 2.94Å; C79-R122 VanDerWaalsContact O-NH2 3.11Å; N80-R122 HydrophobicContact CB-CB 4.28Å; N80-R122 PolarHBondContact O-N 2.9Å; R122-V124 VanDerWaalsContact C-N 3.27Å; R122-V124 HydrophobicContact CG-CG2 4.01Å; R122-V124 PolarHBondContact O-N 2.98Å; R122-V124 VanDerWaalsContact O-N 3.13Å; R122-V125 WeakPolarHBondContact O-CB 3.44Å; R122-V125 PolarHBondContact O-N 2.92Å; R122-Y126 PolarHBondContact O-N 2.96Å |
| 123 | D | 71.8 | Confident | 69.6 | Low | 52 Ų | 52 | 59.5 Ų | 59.5 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.9 | -34.9 | -169.9 | -42.4 | -17.3 | 0 | 0 | 0 | 113.8 | S35 F36 E37 V125 Y126 E127 | S35-D123 VanDerWaalsContact CA-OD2 3.3Å; S35-D123 WeakPolarHBondContact CA-OD2 3.23Å; S35-D123 PolarHBondContact O-N 3.36Å; S35-D123 VanDerWaalsContact O-N 3.17Å; S35-D123 VanDerWaalsContact O-OD1 3.1Å; F36-D123 PolarHBondContact N-OD1 3.24Å; E37-D123 PolarHBondContact N-OD1 3.33Å; E37-D123 VanDerWaalsContact N-OD1 3.15Å; D123-V125 PolarHBondContact O-N 2.83Å; D123-Y126 VanDerWaalsContact O-CB 3.25Å; D123-Y126 WeakPolarHBondContact O-CB 3.34Å; D123-Y126 PolarHBondContact O-N 3.26Å; D123-E127 PolarHBondContact O-N 2.83Å |
| 124 | V | 62.9 | Low | 67.4 | Low | 115 Ų | 115 | 60.3 Ų | 60.3 | 70% | 0.697 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.9 | -8.2 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | R122 | R122-V124 VanDerWaalsContact C-N 3.27Å; R122-V124 HydrophobicContact CG-CG2 4.01Å; R122-V124 PolarHBondContact O-N 2.98Å; R122-V124 VanDerWaalsContact O-N 3.13Å |
| 125 | V | 58.9 | Low | 65.4 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -105.6 | -19.6 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | N80 L102 Y107 I121 R122 D123 S128 | N80-V125 HydrophobicContact CB-CG2 3.81Å; L102-V125 HydrophobicContact CD1-CG2 3.84Å; L102-V125 HydrophobicContact CD2-CG1 3.98Å; L102-V125 HydrophobicContact CD2-CG2 4.16Å; L102-V125 HydrophobicContact CG-CG1 4.48Å; L102-V125 HydrophobicContact CG-CG2 4.1Å; Y107-V125 HydrophobicContact CD2-CG1 3.19Å; Y107-V125 HydrophobicContact CE2-CG1 3.45Å; Y107-V125 VanDerWaalsContact CE2-CG1 3.45Å; Y107-V125 HydrophobicContact CG-CG1 4.2Å; I121-V125 HydrophobicContact CG2-CB 4.33Å; I121-V125 HydrophobicContact CG2-CG1 4.43Å; R122-V125 WeakPolarHBondContact O-CB 3.44Å; R122-V125 PolarHBondContact O-N 2.92Å; D123-V125 PolarHBondContact O-N 2.83Å; V125-S128 PolarHBondContact O-OG 3.43Å; V125-S128 VanDerWaalsContact O-OG 3.08Å |
| 126 | Y | 56.3 | Low | 63.1 | Low | 22 Ų | 22 | 60.5 Ų | 60.5 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.4 | -38.5 | 179.9 | 176.6 | -88.1 | 0 | 0 | 0 | 112.4 | E37 R122 D123 S128 D129 L130 I431 N433 | E37-Y126 WeakPolarHBondContact OE2-CE2 3.34Å; E37-Y126 PolarHBondContact OE2-OH 3.48Å; R122-Y126 PolarHBondContact O-N 2.96Å; D123-Y126 VanDerWaalsContact O-CB 3.25Å; D123-Y126 WeakPolarHBondContact O-CB 3.34Å; D123-Y126 PolarHBondContact O-N 3.26Å; Y126-S128 PolarHBondContact O-N 2.98Å; Y126-D129 PolarHBondContact O-N 3.21Å; Y126-L130 HydrophobicContact CD1-CD1 4.13Å; Y126-L130 HydrophobicContact CD2-CD1 3.41Å; Y126-L130 VanDerWaalsContact CD2-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CD1 3.96Å; Y126-L130 HydrophobicContact CE2-CD1 3.22Å; Y126-L130 HydrophobicContact CG-CD1 3.88Å; Y126-I431 HydrophobicContact CD2-CD1 4.1Å; Y126-I431 HydrophobicContact CE2-CB 3.97Å; Y126-I431 HydrophobicContact CE2-CD1 4.14Å; Y126-I431 HydrophobicContact CE2-CG2 3.83Å; Y126-N433 PolarHBondContact OH-ND2 2.98Å |
| 127 | E | 52.6 | Low | 61.3 | Low | 168 Ų | 168 | 61.6 Ų | 61.6 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.4 | -179 | -65.5 | -172.4 | 152.1 | 0 | 0 | 113.4 | D123 | D123-E127 PolarHBondContact O-N 2.83Š|
| 128 | S | 46.1 | Very low | 59.7 | Low | 63 Ų | 63 | 70.8 Ų | 70.8 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.6 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | V125 Y126 | V125-S128 PolarHBondContact O-OG 3.43Å; V125-S128 VanDerWaalsContact O-OG 3.08Å; Y126-S128 PolarHBondContact O-N 2.98Å |
| 129 | D | 43.1 | Very low | 59.1 | Low | 68 Ų | 68 | 75.4 Ų | 75.4 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -24.4 | -177.6 | -72.8 | -40.3 | 0 | 0 | 0 | 114.1 | Y107 Y126 | Y107-D129 VanDerWaalsContact CD1-CG 3.5Å; Y107-D129 WeakPolarHBondContact CD1-OD1 3.37Å; Y107-D129 WeakPolarHBondContact CD1-OD2 3.44Å; Y107-D129 VanDerWaalsContact CE1-OD2 3.23Å; Y107-D129 WeakPolarHBondContact CE1-OD2 3.28Å; Y107-D129 VanDerWaalsContact CG-OD2 3.23Å; Y126-D129 PolarHBondContact O-N 3.21Å |
| 130 | L | 46.1 | Very low | 58.7 | Low | 58 Ų | 58 | 77.3 Ų | 77.3 | 30% | 0.304 | 43% | 0.429 | S | S | . | . | trans | -107.1 | 25.4 | -162.4 | -76.1 | 161.1 | 0 | 0 | 0 | 115.9 | Y126 T132 I431 | Y126-L130 HydrophobicContact CD1-CD1 4.13Å; Y126-L130 HydrophobicContact CD2-CD1 3.41Å; Y126-L130 VanDerWaalsContact CD2-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CD1 3.96Å; Y126-L130 HydrophobicContact CE2-CD1 3.22Å; Y126-L130 HydrophobicContact CG-CD1 3.88Å; L130-T132 VanDerWaalsContact C-N 3.35Å; L130-I431 HydrophobicContact CD1-CB 3.9Å; L130-I431 HydrophobicContact CD1-CG1 4.5Å | ||
| 131 | A | 42.8 | Very low | 58.3 | Low | 57 Ų | 57 | 77.8 Ų | 77.8 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | trans | -83.9 | 1.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K133 E144 | A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.06Å; A131-E144 HydrophobicContact CB-CG 4.42Å | ||
| 132 | T | 41.5 | Very low | 58.3 | Low | 71 Ų | 71 | 81.4 Ų | 81.4 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | trans | -79.6 | 78.1 | 178.4 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | L130 | L130-T132 VanDerWaalsContact C-N 3.35Š| ||
| 133 | K | 47.3 | Very low | 58.6 | Low | 118 Ų | 118 | 79.2 Ų | 79.2 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | trans | -140.2 | 126.8 | 165.9 | -90.9 | -176.6 | 178.7 | 171.7 | 0 | 106.7 | A131 | A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.06Å | ||
| 134 | N | 43.3 | Very low | 59.3 | Low | 112 Ų | 112 | 79 Ų | 79 | 60% | 0.599 | 45% | 0.447 | S | S | * | . | cis | -142.3 | -169.5 | 5.5 | -65.2 | -80.7 | 0 | 0 | 0 | 110.4 | ||||
| 135 | L | 45.8 | Very low | 60.6 | Low | 92 Ų | 92 | 73.9 Ų | 73.9 | 48% | 0.482 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -52 | 159.7 | 146.7 | -85.4 | 173.7 | 0 | 0 | 0 | 110.7 | G137 Y392 | L135-G137 PolarHBondContact O-N 3.33Å; L135-Y392 HydrophobicContact CD1-CD1 4.2Å; L135-Y392 HydrophobicContact CD1-CE1 3.38Å; L135-Y392 HydrophobicContact CD1-CE2 3.93Å; L135-Y392 WeakPolarHBondContact CD1-OH 3.23Å; L135-Y392 HydrophobicContact CD2-CE2 4.02Å; L135-Y392 HydrophobicContact CG-CE1 4.13Å; L135-Y392 HydrophobicContact CG-CE2 3.78Å; L135-Y392 VanDerWaalsContact CG-CZ 3.47Å; L135-Y392 VanDerWaalsContact CG-OH 3.3Å; L135-Y392 WeakPolarHBondContact CG-OH 3.13Å |
| 136 | P | 42.9 | Very low | 62.1 | Low | 126 Ų | 126 | 75.6 Ų | 75.6 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -54.6 | 101.1 | 174.3 | 23.6 | -35.6 | 0 | 0 | 0 | 111.4 | ||
| 137 | G | 51.7 | Low | 63.6 | Low | 50 Ų | 50 | 74.6 Ų | 74.6 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | trans | -98.3 | 167.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L135 V139 | L135-G137 PolarHBondContact O-N 3.33Å; G137-V139 PolarHBondContact O-N 2.79Å | ||
| 138 | E | 57.5 | Low | 65.4 | Low | 211 Ų | 211 | 67.4 Ų | 67.4 | 99% | 0.986 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -70.7 | 6.6 | -179.3 | -59.3 | -178.5 | 139.1 | 0 | 0 | 114.1 | ||
| 139 | V | 77.2 | Confident | 67.5 | Low | 109 Ų | 109 | 65.3 Ų | 65.3 | 66% | 0.661 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -123.4 | 111.4 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | G137 N141 | G137-V139 PolarHBondContact O-N 2.79Å; V139-N141 PolarHBondContact O-ND2 3.48Å |
| 140 | D | 81.8 | Confident | 69.9 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.214 | 37% | 0.369 | C | S | . | . | trans | -61.2 | 141.9 | 173.3 | -168.5 | 11.1 | 0 | 0 | 0 | 111.7 | H170 S217 Q219 | D140-H170 IonicContact OD1-CE1 3.84Å; D140-H170 PolarHBondContact OD1-CE1 2.8Å; D140-H170 IonicContact OD1-CG 2.62Å; D140-H170 IonicContact OD1-ND1 3.94Å; D140-H170 PolarHBondContact OD1-ND1 2.94Å; D140-H170 IonicContact OD2-ND1 2.9Å; D140-S217 WeakPolarHBondContact OD2-CB 3.48Å; D140-S217 PolarHBondContact OD2-OG 2.68Å; D140-Q219 VanDerWaalsContact CG-NE2 3.26Å; D140-Q219 PolarHBondContact OD1-NE2 3.22Å; D140-Q219 PolarHBondContact OD2-NE2 3.4Å | ||
| 141 | N | 82.6 | Confident | 72.2 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | trans | -117.9 | 149.9 | -176.5 | -58.8 | -87.9 | 0 | 0 | 0 | 108.8 | V139 D169 Q219 | V139-N141 PolarHBondContact O-ND2 3.48Å; N141-D169 PolarHBondContact N-OD1 3.34Å; N141-D169 PolarHBondContact ND2-OD2 2.85Å; N141-Q219 PolarHBondContact O-NE2 3.06Å | ||
| 142 | P | 86.6 | Confident | 74.7 | Confident | 81 Ų | 81 | 61 Ų | 61 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | trans | -65.1 | 148.1 | 177.5 | 28 | -34.8 | 0 | 0 | 0 | 110.5 | Q219 | P142-Q219 HydrophobicContact CB-CB 4.15Š| ||
| 143 | P | 91.3 | Very high | 77.2 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -63.4 | 157.9 | 178.3 | 26.6 | -35 | 0 | 0 | 0 | 111.3 | K167 D168 V213 D215 D221 | P143-K167 CarbonylContact C-O 3.54Å; P143-K167 WeakPolarHBondContact CA-O 3.42Å; P143-D168 WeakPolarHBondContact CA-OD1 3.22Å; P143-D168 HydrophobicContact CB-CB 4.12Å; P143-V213 HydrophobicContact CB-CG1 3.94Å; P143-V213 HydrophobicContact CG-CG1 4.25Å; P143-D215 HydrophobicContact CG-CB 4.28Å; P143-D221 WeakPolarHBondContact O-CB 3.4Å | ||
| 144 | E | 86.9 | Confident | 79.3 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 109.3 | 174.4 | -175.5 | -158.9 | 133.4 | 0 | 0 | 108.7 | A131 S166 K167 | A131-E144 HydrophobicContact CB-CG 4.42Å; E144-S166 CarbonylContact O-C 3.59Å; E144-S166 WeakPolarHBondContact O-CA 3.28Å; E144-S166 VanDerWaalsContact O-CB 3.23Å; E144-S166 WeakPolarHBondContact O-CB 3.34Å; E144-K167 HydrophobicContact CB-CB 4.36Å; E144-K167 PolarHBondContact N-O 2.94Å; E144-K167 PolarHBondContact O-N 2.88Å; E144-K167 IonicContact OE1-NZ 3.73Å; E144-K167 PolarHBondContact OE1-NZ 2.65Å; E144-K167 IonicContact OE2-NZ 2.9Å; E144-K167 PolarHBondContact OE2-NZ 2.66Å |
| 145 | A | 90.9 | Very high | 81.5 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | trans | -82.2 | 119.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V213 D221 T223 | A145-V213 HydrophobicContact CB-CB 4.07Å; A145-V213 HydrophobicContact CB-CG2 3.63Å; A145-D221 HydrophobicContact CB-CB 4.12Å; A145-D221 VanDerWaalsContact CB-OD2 3.29Å; A145-D221 WeakPolarHBondContact CB-OD2 3.42Å; A145-D221 PolarHBondContact N-OD2 3.22Å; A145-T223 HydrophobicContact CB-CG2 3.86Å; A145-T223 VanDerWaalsContact O-CB 3.23Å; A145-T223 WeakPolarHBondContact O-CB 3.2Å; A145-T223 VanDerWaalsContact O-CG2 3.24Å; A145-T223 WeakPolarHBondContact O-CG2 3.46Å | ||
| 146 | N | 89.5 | Confident | 82.7 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -128.5 | 110.1 | 177.3 | -179 | -7.5 | 0 | 0 | 0 | 110.7 | G148 G163 E165 S166 | N146-G148 WeakPolarHBondContact OD1-CA 3.01Å; N146-G148 PolarHBondContact OD1-N 3.31Å; N146-G163 WeakPolarHBondContact O-CA 3.11Å; N146-E165 HydrophobicContact CB-CB 4.47Å; N146-E165 WeakPolarHBondContact ND2-CB 3.34Å; N146-S166 PolarHBondContact N-OG 3.26Å; N146-S166 PolarHBondContact O-OG 3.08Å | ||
| 147 | G | 89 | Confident | 84.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -90.6 | 3.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N162 | G147-N162 CarbonylContact C-O 3.42Š| ||
| 148 | G | 89.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | 76.8 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | N146 I225 | N146-G148 WeakPolarHBondContact OD1-CA 3.01Å; N146-G148 PolarHBondContact OD1-N 3.31Å; G148-I225 VanDerWaalsContact O-CG2 3.25Å; G148-I225 WeakPolarHBondContact O-CG2 3.01Å | ||
| 149 | P | 90.1 | Very high | 87.7 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -73.5 | 156.1 | -176.6 | 29.5 | -36.3 | 0 | 0 | 0 | 112.8 | K104 R151 | K104-P149 HydrophobicContact CB-CB 3.85Å; K104-P149 WeakPolarHBondContact O-CA 3.33Å; P149-R151 WeakPolarHBondContact O-CD 3.44Å; P149-R151 PolarHBondContact O-NE 2.67Å |
| 150 | D | 94.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -50.9 | 149.1 | 171.4 | -77.2 | -8.9 | 0 | 0 | 0 | 112.3 | K104 Q105 T226 | K104-D150 HydrophobicContact CB-CB 3.92Å; K104-D150 WeakPolarHBondContact CD-O 3.37Å; K104-D150 HydrophobicContact CG-CB 4.41Å; K104-D150 PolarHBondContact O-N 3.13Å; Q105-D150 WeakPolarHBondContact CG-OD2 3.4Å; Q105-D150 VanDerWaalsContact NE2-CG 3.27Å; Q105-D150 PolarHBondContact NE2-OD1 2.8Å; Q105-D150 PolarHBondContact NE2-OD2 2.67Å; Q105-D150 VanDerWaalsContact NE2-OD2 3.07Å; D150-T226 CarbonylContact C-O 3.57Å; D150-T226 WeakPolarHBondContact CA-O 2.97Å; D150-T226 WeakPolarHBondContact CB-O 3.23Å; D150-T226 WeakPolarHBondContact OD1-CA 3.2Å; D150-T226 WeakPolarHBondContact OD1-CB 3.13Å; D150-T226 PolarHBondContact OD1-N 2.76Å | ||
| 151 | R | 94.1 | Very high | 89 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.1 | -175.5 | -54.1 | -60 | 176.3 | 115.7 | 7.7 | 111.2 | P149 V153 L159 T226 V227 L228 | P149-R151 WeakPolarHBondContact O-CD 3.44Å; P149-R151 PolarHBondContact O-NE 2.67Å; R151-V153 HydrophobicContact CB-CG1 4.23Å; R151-L159 HydrophobicContact CB-CD1 4.43Å; R151-L159 HydrophobicContact CB-CD2 3.78Å; R151-L159 HydrophobicContact CG-CD1 4.18Å; R151-L159 HydrophobicContact CG-CD2 3.89Å; R151-T226 PolarHBondContact N-O 3.44Å; R151-V227 HydrophobicContact CB-CG1 4.38Å; R151-V227 HydrophobicContact CB-CG2 4.26Å; R151-V227 CarbonylContact O-C 3.46Å; R151-V227 WeakPolarHBondContact O-CA 3.35Å; R151-L228 PolarHBondContact O-N 2.9Å |
| 152 | V | 94.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 13% | 0.127 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.5 | 169.1 | -177.8 | 0 | 0 | 0 | 0 | 105.8 | L228 L230 A288 | V152-L228 WeakPolarHBondContact CA-O 3.46Å; V152-L228 HydrophobicContact CG2-CB 4.5Å; V152-L228 HydrophobicContact CG2-CD2 4.49Å; V152-L230 HydrophobicContact CG1-CD1 3.7Å; V152-L230 HydrophobicContact CG1-CD2 3.7Å; V152-L230 HydrophobicContact CG1-CG 3.7Å; V152-A288 HydrophobicContact CB-CB 4.33Å; V152-A288 HydrophobicContact CG1-CB 4.1Å; V152-A288 WeakPolarHBondContact O-CA 3.17Å; V152-A288 PolarHBondContact O-N 3.27Å |
| 153 | V | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156.5 | -172.2 | -54 | 0 | 0 | 0 | 0 | 112.3 | R151 L159 V227 L228 V229 L230 N287 | R151-V153 HydrophobicContact CB-CG1 4.23Å; V153-L159 HydrophobicContact CG1-CD1 4.23Å; V153-L159 HydrophobicContact CG1-CD2 4.09Å; V153-V227 HydrophobicContact CG1-CG1 4.46Å; V153-V227 HydrophobicContact CG2-CG1 3.93Å; V153-L228 PolarHBondContact N-O 2.98Å; V153-V229 HydrophobicContact CG2-CB 4.24Å; V153-V229 HydrophobicContact CG2-CG1 4.31Å; V153-V229 HydrophobicContact CG2-CG2 3.78Å; V153-V229 WeakPolarHBondContact O-CA 2.95Å; V153-L230 PolarHBondContact O-N 3.19Å; V153-N287 CarbonylContact C-O 3.57Å; V153-N287 VanDerWaalsContact CA-O 3.25Å; V153-N287 WeakPolarHBondContact CA-O 3.41Å; V153-N287 HydrophobicContact CG1-CB 4.24Å |
| 154 | Q | 92 | Very high | 89.6 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | trans | -76.5 | 156.6 | 166.8 | -73.7 | -59.3 | -40 | 0 | 0 | 112.2 | S235 N287 A288 V292 | Q154-S235 PolarHBondContact NE2-OG 2.94Å; Q154-S235 PolarHBondContact OE1-OG 3.16Å; Q154-N287 PolarHBondContact N-O 2.79Å; Q154-A288 WeakPolarHBondContact CG-O 3.42Å; Q154-A288 PolarHBondContact NE2-O 2.93Å; Q154-V292 HydrophobicContact CG-CG2 3.8Å; Q154-V292 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 155 | P | 88.3 | Confident | 89.6 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 149.3 | 174.2 | -22.9 | 34.4 | 0 | 0 | 0 | 113 | E157 S204 V229 L230 | P155-E157 PolarHBondContact O-N 2.88Å; P155-E157 VanDerWaalsContact O-N 3.14Å; P155-S204 WeakPolarHBondContact CG-OG 3.45Å; P155-V229 HydrophobicContact CB-CG1 4.15Å; P155-V229 HydrophobicContact CG-CG1 4.06Å; P155-L230 WeakPolarHBondContact CG-O 3.17Å |
| 156 | Q | 72.6 | Confident | 89.5 | Confident | 174 Ų | 174 | 34.5 Ų | 34.5 | 81% | 0.813 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -3.3 | 178.5 | -51.1 | -174.1 | -15.3 | 0 | 0 | 116.6 | L202 | Q156-L202 PolarHBondContact N-O 3Š|
| 157 | E | 76.1 | Confident | 89.3 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | trans | -69.6 | 143 | 171.4 | -162.8 | -178.8 | -178.7 | 0 | 0 | 111.5 | P155 N287 | P155-E157 PolarHBondContact O-N 2.88Å; P155-E157 VanDerWaalsContact O-N 3.14Å; E157-N287 WeakPolarHBondContact OE2-CA 3.5Å | ||
| 158 | S | 89.4 | Confident | 89.1 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | trans | -88.3 | 114.9 | 170.5 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | V199 | S158-V199 CarbonylContact C-O 3.57Å; S158-V199 WeakPolarHBondContact CA-O 3.28Å | ||
| 159 | L | 91.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.5 | -179.2 | 171.8 | 68.5 | 0 | 0 | 0 | 110.4 | R151 V153 L161 I198 V199 V227 | R151-L159 HydrophobicContact CB-CD1 4.43Å; R151-L159 HydrophobicContact CB-CD2 3.78Å; R151-L159 HydrophobicContact CG-CD1 4.18Å; R151-L159 HydrophobicContact CG-CD2 3.89Å; V153-L159 HydrophobicContact CG1-CD1 4.23Å; V153-L159 HydrophobicContact CG1-CD2 4.09Å; L159-L161 HydrophobicContact CD2-CD2 3.69Å; L159-L161 HydrophobicContact CG-CD2 3.89Å; L159-I198 WeakPolarHBondContact O-CA 3.29Å; L159-V199 HydrophobicContact CB-CG2 3.83Å; L159-V199 HydrophobicContact CD2-CG2 4.19Å; L159-V199 HydrophobicContact CG-CG2 4.23Å; L159-V199 PolarHBondContact N-O 3.11Å; L159-V199 WeakPolarHBondContact O-CG2 3.45Å; L159-V199 PolarHBondContact O-N 2.75Å; L159-V227 HydrophobicContact CD2-CB 4.4Å; L159-V227 HydrophobicContact CD2-CG1 3.72Å; L159-V227 HydrophobicContact CD2-CG2 3.72Å |
| 160 | T | 92.4 | Very high | 88.3 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126 | 172.5 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | Q196 | T160-Q196 HydrophobicContact CG2-CG 3.53Å |
| 161 | L | 93.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.1 | 173.5 | -53.3 | -179.2 | 0 | 0 | 0 | 109.2 | L159 W177 Q196 V197 V199 F209 I225 | L159-L161 HydrophobicContact CD2-CD2 3.69Å; L159-L161 HydrophobicContact CG-CD2 3.89Å; L161-W177 HydrophobicContact CB-CH2 4Å; L161-W177 HydrophobicContact CB-CZ2 3.97Å; L161-W177 HydrophobicContact CB-CZ3 4.33Å; L161-W177 HydrophobicContact CD1-CE3 4.09Å; L161-W177 HydrophobicContact CD1-CH2 4.48Å; L161-W177 HydrophobicContact CD1-CZ3 4.01Å; L161-Q196 WeakPolarHBondContact O-CA 3.13Å; L161-V197 HydrophobicContact CB-CG2 3.91Å; L161-V197 HydrophobicContact CD1-CG2 4.29Å; L161-V197 HydrophobicContact CG-CG2 4.45Å; L161-V197 PolarHBondContact N-O 2.85Å; L161-V197 PolarHBondContact O-N 2.93Å; L161-V199 HydrophobicContact CD1-CG1 3.63Å; L161-V199 HydrophobicContact CD1-CG2 4.11Å; L161-V199 HydrophobicContact CG-CG1 4.19Å; L161-V199 HydrophobicContact CG-CG2 4.12Å; L161-F209 HydrophobicContact CD1-CB 4.1Å; L161-F209 HydrophobicContact CD1-CD1 4.38Å; L161-F209 HydrophobicContact CD1-CD2 4.08Å; L161-F209 HydrophobicContact CD1-CG 3.93Å; L161-I225 HydrophobicContact CD1-CD1 3.93Å; L161-I225 HydrophobicContact CD2-CD1 3.53Å; L161-I225 HydrophobicContact CG-CD1 4.19Å |
| 162 | N | 91.4 | Very high | 87.8 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 135 | -178.5 | -57.2 | -46.3 | 0 | 0 | 0 | 110.5 | G147 N164 Q196 | G147-N162 CarbonylContact C-O 3.42Å; N162-N164 WeakPolarHBondContact CB-OD1 3.25Å; N162-Q196 WeakPolarHBondContact OD1-CG 3.27Å; N162-Q196 PolarHBondContact OD1-NE2 3.14Å |
| 163 | G | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -95.8 | 11.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N146 E165 S166 Y175 D195 | N146-G163 WeakPolarHBondContact O-CA 3.11Å; G163-E165 PolarHBondContact O-N 3.43Å; G163-E165 VanDerWaalsContact O-N 3.14Å; G163-S166 VanDerWaalsContact O-CB 3.22Å; G163-S166 WeakPolarHBondContact O-CB 3.32Å; G163-S166 PolarHBondContact O-N 2.99Å; G163-S166 PolarHBondContact O-OG 2.89Å; G163-Y175 WeakPolarHBondContact O-CE1 3.18Å; G163-D195 PolarHBondContact N-O 3.47Å | ||
| 164 | N | 88.7 | Confident | 87.8 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.3 | -166.9 | 71.4 | -85.7 | 0 | 0 | 0 | 115.5 | N162 N378 | N162-N164 WeakPolarHBondContact CB-OD1 3.25Å; N164-N378 PolarHBondContact ND2-OD1 2.94Å; N164-N378 PolarHBondContact OD1-OD1 2.87Å |
| 165 | E | 87 | Confident | 88 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 5 | 173.9 | -62.3 | -163.2 | 134.2 | 0 | 0 | 112.6 | N146 G163 N378 | N146-E165 HydrophobicContact CB-CB 4.47Å; N146-E165 WeakPolarHBondContact ND2-CB 3.34Å; G163-E165 PolarHBondContact O-N 3.43Å; G163-E165 VanDerWaalsContact O-N 3.14Å; E165-N378 WeakPolarHBondContact CG-OD1 3.25Å; E165-N378 PolarHBondContact OE1-OD1 2.93Å |
| 166 | S | 89.3 | Confident | 88.4 | Confident | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | trans | -64.5 | 144.3 | 168.1 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | E144 N146 G163 | E144-S166 CarbonylContact O-C 3.59Å; E144-S166 WeakPolarHBondContact O-CA 3.28Å; E144-S166 VanDerWaalsContact O-CB 3.23Å; E144-S166 WeakPolarHBondContact O-CB 3.34Å; N146-S166 PolarHBondContact N-OG 3.26Å; N146-S166 PolarHBondContact O-OG 3.08Å; G163-S166 VanDerWaalsContact O-CB 3.22Å; G163-S166 WeakPolarHBondContact O-CB 3.32Å; G163-S166 PolarHBondContact O-N 2.99Å; G163-S166 PolarHBondContact O-OG 2.89Å | ||
| 167 | K | 85.1 | Confident | 89.5 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 46% | 0.457 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -127.4 | 162.2 | -174.6 | -49.2 | -168.2 | -145 | 85.7 | 0 | 111 | P143 E144 | P143-K167 CarbonylContact C-O 3.54Å; P143-K167 WeakPolarHBondContact CA-O 3.42Å; E144-K167 HydrophobicContact CB-CB 4.36Å; E144-K167 PolarHBondContact N-O 2.94Å; E144-K167 PolarHBondContact O-N 2.88Å; E144-K167 IonicContact OE1-NZ 3.73Å; E144-K167 PolarHBondContact OE1-NZ 2.65Å; E144-K167 IonicContact OE2-NZ 2.9Å; E144-K167 PolarHBondContact OE2-NZ 2.66Å |
| 168 | D | 84.9 | Confident | 90.4 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -162.8 | 155.7 | -179.6 | -167.7 | 35.6 | 0 | 0 | 0 | 107.7 | P143 H170 I172 D215 | P143-D168 WeakPolarHBondContact CA-OD1 3.22Å; P143-D168 HydrophobicContact CB-CB 4.12Å; D168-H170 VanDerWaalsContact C-N 3.33Å; D168-H170 WeakPolarHBondContact CB-O 3.23Å; D168-H170 WeakPolarHBondContact OD2-CA 3.18Å; D168-H170 PolarHBondContact OD2-N 2.79Å; D168-H170 VanDerWaalsContact OD2-O 3.11Å; D168-I172 HydrophobicContact CB-CD1 4Å; D168-I172 HydrophobicContact CB-CG1 3.54Å; D168-D215 VanDerWaalsContact OD2-CB 3.23Å; D168-D215 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 169 | D | 81.1 | Confident | 90.7 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -83.2 | -15 | 168.2 | 59.1 | -31.9 | 0 | 0 | 0 | 112.6 | N141 | N141-D169 PolarHBondContact N-OD1 3.34Å; N141-D169 PolarHBondContact ND2-OD2 2.85Å |
| 170 | H | 81.2 | Confident | 91 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -111.6 | -167.2 | 169.8 | -70 | 93.4 | 0 | 0 | 0 | 112.8 | D140 D168 | D140-H170 IonicContact OD1-CE1 3.84Å; D140-H170 PolarHBondContact OD1-CE1 2.8Å; D140-H170 IonicContact OD1-CG 2.62Å; D140-H170 IonicContact OD1-ND1 3.94Å; D140-H170 PolarHBondContact OD1-ND1 2.94Å; D140-H170 IonicContact OD2-ND1 2.9Å; D168-H170 VanDerWaalsContact C-N 3.33Å; D168-H170 WeakPolarHBondContact CB-O 3.23Å; D168-H170 WeakPolarHBondContact OD2-CA 3.18Å; D168-H170 PolarHBondContact OD2-N 2.79Å; D168-H170 VanDerWaalsContact OD2-O 3.11Å |
| 171 | D | 86.8 | Confident | 91.2 | Very high | 132 Ų | 132 | 53 Ų | 53 | 71% | 0.706 | 28% | 0.278 | S | S | * | . | trans | -85.5 | 117.2 | 177.5 | -84.3 | -34.8 | 0 | 0 | 0 | 110.9 | V173 S216 | D171-V173 PolarHBondContact O-N 2.77Å; D171-S216 PolarHBondContact O-N 3.03Å; D171-S216 VanDerWaalsContact O-N 3.08Å | ||
| 172 | I | 91.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | trans | -64 | 119.1 | 169 | -62.3 | 169.2 | 0 | 0 | 0 | 110.4 | D168 Y175 V213 | D168-I172 HydrophobicContact CB-CD1 4Å; D168-I172 HydrophobicContact CB-CG1 3.54Å; I172-Y175 HydrophobicContact CB-CE2 4.37Å; I172-Y175 HydrophobicContact CG2-CD2 4.15Å; I172-Y175 HydrophobicContact CG2-CE1 4.06Å; I172-Y175 HydrophobicContact CG2-CE2 3.49Å; I172-Y175 VanDerWaalsContact CG2-CE2 3.49Å; I172-Y175 VanDerWaalsContact CG2-CZ 3.44Å; I172-V213 HydrophobicContact CB-CG1 4.34Å; I172-V213 HydrophobicContact CD1-CG1 3.85Å; I172-V213 HydrophobicContact CG1-CG1 3.96Å; I172-V213 HydrophobicContact CG2-CG1 3.43Å; I172-V213 VanDerWaalsContact CG2-CG1 3.43Å | ||
| 173 | V | 93.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | trans | -95.2 | -34.2 | -175.9 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | D171 T214 D215 | D171-V173 PolarHBondContact O-N 2.77Å; V173-T214 WeakPolarHBondContact CG2-O 3.44Å; V173-T214 PolarHBondContact N-O 3.05Å; V173-D215 WeakPolarHBondContact CG2-O 3.3Å | ||
| 174 | T | 95 | Very high | 91 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.5 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | T214 | T174-T214 PolarHBondContact N-O 2.77Å; T174-T214 PolarHBondContact O-N 2.67Å; T174-T214 WeakPolarHBondContact OG1-CB 3.15Å; T174-T214 PolarHBondContact OG1-OG1 3.43Å |
| 175 | Y | 96.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.6 | 168.9 | -59.4 | -101.8 | 0 | 0 | 0 | 107.7 | G163 I172 K194 D195 L211 V213 | G163-Y175 WeakPolarHBondContact O-CE1 3.18Å; I172-Y175 HydrophobicContact CB-CE2 4.37Å; I172-Y175 HydrophobicContact CG2-CD2 4.15Å; I172-Y175 HydrophobicContact CG2-CE1 4.06Å; I172-Y175 HydrophobicContact CG2-CE2 3.49Å; I172-Y175 VanDerWaalsContact CG2-CE2 3.49Å; I172-Y175 VanDerWaalsContact CG2-CZ 3.44Å; Y175-K194 HydrophobicContact CD2-CB 4.27Å; Y175-D195 HydrophobicContact CD1-CB 4Å; Y175-D195 HydrophobicContact CD2-CB 4.02Å; Y175-D195 HydrophobicContact CE1-CB 3.94Å; Y175-D195 HydrophobicContact CE2-CB 3.97Å; Y175-D195 HydrophobicContact CG-CB 4.05Å; Y175-L211 HydrophobicContact CD1-CD1 4.12Å; Y175-V213 HydrophobicContact CD1-CG2 4.07Å; Y175-V213 HydrophobicContact CE1-CG2 4.32Å |
| 176 | L | 96.4 | Very high | 91.2 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 109.3 | -179.7 | 178.6 | 64.3 | 0 | 0 | 0 | 110.2 | T212 | L176-T212 PolarHBondContact N-O 2.84Å; L176-T212 PolarHBondContact O-N 2.03Å |
| 177 | W | 96.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 134.2 | 172.9 | -72.5 | 96.3 | 0 | 0 | 0 | 111 | L161 D195 V197 F209 Q210 L211 I225 | L161-W177 HydrophobicContact CB-CH2 4Å; L161-W177 HydrophobicContact CB-CZ2 3.97Å; L161-W177 HydrophobicContact CB-CZ3 4.33Å; L161-W177 HydrophobicContact CD1-CE3 4.09Å; L161-W177 HydrophobicContact CD1-CH2 4.48Å; L161-W177 HydrophobicContact CD1-CZ3 4.01Å; W177-D195 PolarHBondContact NE1-O 3.46Å; W177-V197 HydrophobicContact CB-CG1 4.1Å; W177-V197 HydrophobicContact CB-CG2 3.88Å; W177-V197 HydrophobicContact CD2-CG2 4.01Å; W177-V197 HydrophobicContact CG-CB 4.5Å; W177-V197 HydrophobicContact CG-CG1 4.08Å; W177-V197 HydrophobicContact CG-CG2 3.58Å; W177-F209 HydrophobicContact CE3-CB 4.12Å; W177-F209 HydrophobicContact CZ3-CB 4.16Å; W177-Q210 WeakPolarHBondContact CA-O 3.06Å; W177-L211 HydrophobicContact CD2-CB 4.01Å; W177-L211 HydrophobicContact CD2-CD1 4.24Å; W177-L211 HydrophobicContact CE3-CB 3.9Å; W177-L211 HydrophobicContact CG-CD1 4.42Å; W177-L211 HydrophobicContact CH2-CB 3.84Å; W177-L211 HydrophobicContact CH2-CD2 4.38Å; W177-L211 HydrophobicContact CZ2-CB 3.92Å; W177-L211 HydrophobicContact CZ2-CD1 4.32Å; W177-L211 HydrophobicContact CZ2-CD2 3.94Å; W177-L211 HydrophobicContact CZ2-CG 4.27Å; W177-L211 HydrophobicContact CZ3-CB 3.82Å; W177-I225 HydrophobicContact CH2-CD1 3.86Å; W177-I225 HydrophobicContact CH2-CG1 4.47Å; W177-I225 HydrophobicContact CZ3-CD1 3.75Å; W177-I225 HydrophobicContact CZ3-CG1 4.04Å |
| 178 | H | 95.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.1 | 170.3 | 69.9 | -80 | 0 | 0 | 0 | 112.7 | F209 Q210 | H178-F209 WeakPolarHBondContact O-CA 3.32Å; H178-Q210 PolarHBondContact N-O 2.87Å; H178-Q210 PolarHBondContact ND1-O 3.38Å; H178-Q210 PolarHBondContact O-N 3.48Å |
| 179 | L | 96.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.4 | 174.9 | -178.7 | 70.8 | 0 | 0 | 0 | 109.6 | S181 A186 I188 Y207 F209 | L179-S181 WeakPolarHBondContact CD1-O 3.3Å; L179-A186 HydrophobicContact CD2-CB 4.45Å; L179-I188 HydrophobicContact CB-CD1 4.45Å; L179-Y207 HydrophobicContact CD1-CD1 3.98Å; L179-F209 HydrophobicContact CB-CD1 4.37Å; L179-F209 HydrophobicContact CB-CE1 4.27Å; L179-F209 HydrophobicContact CD1-CD1 4.06Å; L179-F209 HydrophobicContact CD1-CE1 3.7Å; L179-F209 HydrophobicContact CD1-CE2 4.48Å; L179-F209 HydrophobicContact CD1-CZ 3.93Å |
| 180 | V | 96.4 | Very high | 93 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -44.2 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | K208 Q210 | V180-K208 HydrophobicContact CB-CB 4.3Å; V180-K208 PolarHBondContact N-O 3.31Å; V180-Q210 HydrophobicContact CG2-CB 3.44Å; V180-Q210 VanDerWaalsContact CG2-CB 3.44Å; V180-Q210 HydrophobicContact CG2-CG 4.46Å |
| 181 | S | 96.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.4 | 178.2 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | L179 Y207 K208 | L179-S181 WeakPolarHBondContact CD1-O 3.3Å; S181-Y207 CarbonylContact O-C 3.56Å; S181-Y207 VanDerWaalsContact O-CA 3.28Å; S181-Y207 WeakPolarHBondContact O-CA 3.46Å; S181-K208 PolarHBondContact N-O 3.38Å; S181-K208 PolarHBondContact O-N 3.41Å; S181-K208 WeakPolarHBondContact OG-CB 3.46Å; S181-K208 WeakPolarHBondContact OG-CG 3.15Å |
| 182 | G | 92.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 148 | -171.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T184 | G182-T184 PolarHBondContact O-N 3.43Š|
| 183 | N | 90.6 | Very high | 94 | Very high | 68 Ų | 68 | 72.1 Ų | 72.1 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | trans | -71.7 | 124.6 | 171.3 | -173.2 | -19.5 | 0 | 0 | 0 | 109.7 | S185 A186 Y207 | N183-S185 PolarHBondContact O-N 3.5Å; N183-S185 VanDerWaalsContact OD1-CB 3.27Å; N183-S185 WeakPolarHBondContact OD1-CB 3.33Å; N183-S185 PolarHBondContact OD1-N 2.69Å; N183-S185 PolarHBondContact OD1-OG 3.25Å; N183-A186 WeakPolarHBondContact O-CB 3.17Å; N183-A186 PolarHBondContact O-N 3.4Å; N183-A186 VanDerWaalsContact O-N 3.14Å; N183-Y207 HydrophobicContact CB-CE1 3.85Å; N183-Y207 WeakPolarHBondContact CB-OH 3.22Å; N183-Y207 VanDerWaalsContact N-CE1 3.31Å | ||
| 184 | T | 89.5 | Confident | 93.9 | Very high | 130 Ų | 130 | 76.7 Ų | 76.7 | 80% | 0.798 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.9 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | G182 A186 | G182-T184 PolarHBondContact O-N 3.43Å; T184-A186 PolarHBondContact O-N 3.12Å |
| 185 | S | 87.7 | Confident | 93.8 | Very high | 56 Ų | 56 | 74.2 Ų | 74.2 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.4 | 170.5 | -48.9 | 0 | 0 | 0 | 0 | 113.4 | N183 V187 N201 | N183-S185 PolarHBondContact O-N 3.5Å; N183-S185 VanDerWaalsContact OD1-CB 3.27Å; N183-S185 WeakPolarHBondContact OD1-CB 3.33Å; N183-S185 PolarHBondContact OD1-N 2.69Å; N183-S185 PolarHBondContact OD1-OG 3.25Å; S185-V187 PolarHBondContact O-N 3.21Å; S185-N201 PolarHBondContact O-ND2 2.83Å |
| 186 | A | 92.2 | Very high | 93.6 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | trans | -61.9 | 131.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L179 N183 T184 S200 L202 Y207 | L179-A186 HydrophobicContact CD2-CB 4.45Å; N183-A186 WeakPolarHBondContact O-CB 3.17Å; N183-A186 PolarHBondContact O-N 3.4Å; N183-A186 VanDerWaalsContact O-N 3.14Å; T184-A186 PolarHBondContact O-N 3.12Å; A186-S200 WeakPolarHBondContact CA-O 3.42Å; A186-L202 HydrophobicContact CB-CD2 3.59Å; A186-Y207 HydrophobicContact CB-CD1 4.23Å; A186-Y207 HydrophobicContact CB-CE1 3.98Å | ||
| 187 | V | 93.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.9 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | S185 E189 V199 S200 N201 | S185-V187 PolarHBondContact O-N 3.21Å; V187-E189 HydrophobicContact CG1-CG 3.89Å; V187-V199 VanDerWaalsContact O-CA 3.29Å; V187-V199 WeakPolarHBondContact O-CA 3.4Å; V187-S200 PolarHBondContact N-O 2.67Å; V187-S200 PolarHBondContact O-N 2.81Å; V187-N201 HydrophobicContact CG2-CB 4.26Å |
| 188 | I | 95.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 70.8 Ų | 70.8 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111.2 | 174.1 | -50.5 | -177.8 | 0 | 0 | 0 | 108.1 | L179 V197 V199 F209 | L179-I188 HydrophobicContact CB-CD1 4.45Å; I188-V197 HydrophobicContact CG2-CB 3.78Å; I188-V197 HydrophobicContact CG2-CG1 3.99Å; I188-V197 HydrophobicContact CG2-CG2 3.94Å; I188-V199 HydrophobicContact CG1-CG1 4.13Å; I188-V199 HydrophobicContact CG2-CG1 4.31Å; I188-F209 HydrophobicContact CD1-CD1 3.99Å; I188-F209 HydrophobicContact CD1-CE1 3.91Å; I188-F209 HydrophobicContact CG1-CE1 4.15Å |
| 189 | E | 95.8 | Very high | 93.6 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.8 | 179.2 | -60.2 | -170.2 | 171.2 | 0 | 0 | 110.6 | V187 V197 I198 | V187-E189 HydrophobicContact CG1-CG 3.89Å; E189-V197 CarbonylContact O-C 3.53Å; E189-V197 VanDerWaalsContact O-CA 3.27Å; E189-V197 WeakPolarHBondContact O-CA 3.46Å; E189-V197 WeakPolarHBondContact O-CB 2.91Å; E189-I198 PolarHBondContact N-O 3.4Å; E189-I198 PolarHBondContact O-N 2.91Å |
| 190 | K | 94.5 | Very high | 93.5 | Very high | 182 Ų | 182 | 66.5 Ų | 66.5 | 79% | 0.791 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.1 | 174.5 | -67.1 | -171 | 177.4 | -170.7 | 0 | 110.1 | ||
| 191 | T | 93.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | trans | -90.6 | -174.5 | 175.1 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | F193 Q196 I198 | T191-F193 PolarHBondContact O-N 3.41Å; T191-F193 PolarHBondContact OG1-N 2.8Å; T191-F193 VanDerWaalsContact OG1-N 3.14Å; T191-F193 PolarHBondContact OG1-O 3.04Å; T191-F193 VanDerWaalsContact OG1-O 3.11Å; T191-Q196 HydrophobicContact CG2-CB 4.46Å; T191-Q196 HydrophobicContact CG2-CG 3.72Å; T191-Q196 PolarHBondContact N-O 3.08Å; T191-Q196 WeakPolarHBondContact OG1-CB 2.94Å; T191-Q196 PolarHBondContact OG1-O 3.2Å; T191-Q196 PolarHBondContact OG1-OE1 3.11Å; T191-I198 HydrophobicContact CG2-CD1 3.91Å; T191-I198 HydrophobicContact CG2-CG1 3.76Å | ||
| 192 | T | 93.3 | Very high | 93.1 | Very high | 135 Ų | 135 | 65.3 Ų | 65.3 | 83% | 0.828 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -65.9 | -18.6 | 169.1 | 50 | 0 | 0 | 0 | 0 | 113.4 | ||
| 193 | F | 92.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -101.3 | 133.3 | 179.7 | -57 | -77.5 | 0 | 0 | 0 | 110.1 | T191 D195 Q196 | T191-F193 PolarHBondContact O-N 3.41Å; T191-F193 PolarHBondContact OG1-N 2.8Å; T191-F193 VanDerWaalsContact OG1-N 3.14Å; T191-F193 PolarHBondContact OG1-O 3.04Å; T191-F193 VanDerWaalsContact OG1-O 3.11Å; F193-D195 VanDerWaalsContact C-N 3.25Å; F193-D195 WeakPolarHBondContact CB-OD1 3.17Å; F193-D195 PolarHBondContact O-N 2.62Å; F193-Q196 HydrophobicContact CB-CB 4.13Å; F193-Q196 PolarHBondContact O-N 3.01Å |
| 194 | K | 92.2 | Very high | 93.2 | Very high | 157 Ų | 157 | 65 Ų | 65 | 68% | 0.683 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.9 | -175.1 | -68.2 | -177.2 | 177.3 | -177 | 0 | 112.9 | Y175 Q196 | Y175-K194 HydrophobicContact CD2-CB 4.27Å; K194-Q196 VanDerWaalsContact C-N 3.32Å |
| 195 | D | 91.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -7.7 | -175.3 | 58.1 | -73.1 | 0 | 0 | 0 | 114 | G163 Y175 W177 F193 R380 | G163-D195 PolarHBondContact N-O 3.47Å; Y175-D195 HydrophobicContact CD1-CB 4Å; Y175-D195 HydrophobicContact CD2-CB 4.02Å; Y175-D195 HydrophobicContact CE1-CB 3.94Å; Y175-D195 HydrophobicContact CE2-CB 3.97Å; Y175-D195 HydrophobicContact CG-CB 4.05Å; W177-D195 PolarHBondContact NE1-O 3.46Å; F193-D195 VanDerWaalsContact C-N 3.25Å; F193-D195 WeakPolarHBondContact CB-OD1 3.17Å; F193-D195 PolarHBondContact O-N 2.62Å; D195-R380 IonicContact OD1-CZ 3.62Å; D195-R380 IonicContact OD1-NH1 2.67Å; D195-R380 PolarHBondContact OD1-NH1 2.67Å; D195-R380 VanDerWaalsContact OD1-NH1 3.08Å; D195-R380 IonicContact OD1-NH2 3.88Å; D195-R380 IonicContact OD2-CZ 2.65Å; D195-R380 VanDerWaalsContact OD2-CZ 3.25Å; D195-R380 IonicContact OD2-NH1 3.17Å; D195-R380 PolarHBondContact OD2-NH1 2.98Å; D195-R380 IonicContact OD2-NH2 2.67Å; D195-R380 PolarHBondContact OD2-NH2 2.97Å |
| 196 | Q | 93.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.5 | -168.9 | 173.2 | -176.8 | 89.7 | 0 | 0 | 113.3 | T160 L161 N162 T191 F193 K194 | T160-Q196 HydrophobicContact CG2-CG 3.53Å; L161-Q196 WeakPolarHBondContact O-CA 3.13Å; N162-Q196 WeakPolarHBondContact OD1-CG 3.27Å; N162-Q196 PolarHBondContact OD1-NE2 3.14Å; T191-Q196 HydrophobicContact CG2-CB 4.46Å; T191-Q196 HydrophobicContact CG2-CG 3.72Å; T191-Q196 PolarHBondContact N-O 3.08Å; T191-Q196 WeakPolarHBondContact OG1-CB 2.94Å; T191-Q196 PolarHBondContact OG1-O 3.2Å; T191-Q196 PolarHBondContact OG1-OE1 3.11Å; F193-Q196 HydrophobicContact CB-CB 4.13Å; F193-Q196 PolarHBondContact O-N 3.01Å; K194-Q196 VanDerWaalsContact C-N 3.32Å |
| 197 | V | 95.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.5 | 171.8 | -63 | 0 | 0 | 0 | 0 | 111 | L161 W177 I188 E189 V199 | L161-V197 HydrophobicContact CB-CG2 3.91Å; L161-V197 HydrophobicContact CD1-CG2 4.29Å; L161-V197 HydrophobicContact CG-CG2 4.45Å; L161-V197 PolarHBondContact N-O 2.85Å; L161-V197 PolarHBondContact O-N 2.93Å; W177-V197 HydrophobicContact CB-CG1 4.1Å; W177-V197 HydrophobicContact CB-CG2 3.88Å; W177-V197 HydrophobicContact CD2-CG2 4.01Å; W177-V197 HydrophobicContact CG-CB 4.5Å; W177-V197 HydrophobicContact CG-CG1 4.08Å; W177-V197 HydrophobicContact CG-CG2 3.58Å; I188-V197 HydrophobicContact CG2-CB 3.78Å; I188-V197 HydrophobicContact CG2-CG1 3.99Å; I188-V197 HydrophobicContact CG2-CG2 3.94Å; E189-V197 CarbonylContact O-C 3.53Å; E189-V197 VanDerWaalsContact O-CA 3.27Å; E189-V197 WeakPolarHBondContact O-CA 3.46Å; E189-V197 WeakPolarHBondContact O-CB 2.91Å; V197-V199 HydrophobicContact CG2-CG1 4.36Å |
| 198 | I | 95.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.7 | 168.1 | -64.5 | 167.7 | 0 | 0 | 0 | 107.1 | L159 E189 T191 | L159-I198 WeakPolarHBondContact O-CA 3.29Å; E189-I198 PolarHBondContact N-O 3.4Å; E189-I198 PolarHBondContact O-N 2.91Å; T191-I198 HydrophobicContact CG2-CD1 3.91Å; T191-I198 HydrophobicContact CG2-CG1 3.76Å |
| 199 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.4 | 172.9 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | S158 L159 L161 V187 I188 V197 L202 F209 | S158-V199 CarbonylContact C-O 3.57Å; S158-V199 WeakPolarHBondContact CA-O 3.28Å; L159-V199 HydrophobicContact CB-CG2 3.83Å; L159-V199 HydrophobicContact CD2-CG2 4.19Å; L159-V199 HydrophobicContact CG-CG2 4.23Å; L159-V199 PolarHBondContact N-O 3.11Å; L159-V199 WeakPolarHBondContact O-CG2 3.45Å; L159-V199 PolarHBondContact O-N 2.75Å; L161-V199 HydrophobicContact CD1-CG1 3.63Å; L161-V199 HydrophobicContact CD1-CG2 4.11Å; L161-V199 HydrophobicContact CG-CG1 4.19Å; L161-V199 HydrophobicContact CG-CG2 4.12Å; V187-V199 VanDerWaalsContact O-CA 3.29Å; V187-V199 WeakPolarHBondContact O-CA 3.4Å; I188-V199 HydrophobicContact CG1-CG1 4.13Å; I188-V199 HydrophobicContact CG2-CG1 4.31Å; V197-V199 HydrophobicContact CG2-CG1 4.36Å; V199-L202 HydrophobicContact CG2-CD1 4.11Å; V199-F209 HydrophobicContact CB-CE1 4.35Å; V199-F209 HydrophobicContact CB-CZ 4.05Å; V199-F209 HydrophobicContact CG1-CD1 4.28Å; V199-F209 HydrophobicContact CG1-CE1 3.79Å; V199-F209 HydrophobicContact CG1-CZ 3.96Å; V199-F209 HydrophobicContact CG2-CE2 4.38Å; V199-F209 HydrophobicContact CG2-CZ 4.24Å |
| 200 | S | 94.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 177.8 | -173.3 | 73 | 0 | 0 | 0 | 0 | 111.9 | A186 V187 L202 | A186-S200 WeakPolarHBondContact CA-O 3.42Å; V187-S200 PolarHBondContact N-O 2.67Å; V187-S200 PolarHBondContact O-N 2.81Å; S200-L202 PolarHBondContact O-N 3.42Å |
| 201 | N | 91.9 | Very high | 94.3 | Very high | 96 Ų | 96 | 46 Ų | 46 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | trans | 56.9 | 37.1 | -174.7 | -163.9 | 37.3 | 0 | 0 | 0 | 113.3 | S185 V187 | S185-N201 PolarHBondContact O-ND2 2.83Å; V187-N201 HydrophobicContact CG2-CB 4.26Å | ||
| 202 | L | 92.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 117.3 | -179.9 | -56.2 | -176 | 0 | 0 | 0 | 110.7 | Q156 A186 V199 S200 Y207 F209 V227 V229 | Q156-L202 PolarHBondContact N-O 3Å; A186-L202 HydrophobicContact CB-CD2 3.59Å; V199-L202 HydrophobicContact CG2-CD1 4.11Å; S200-L202 PolarHBondContact O-N 3.42Å; L202-Y207 HydrophobicContact CD2-CD1 4.11Å; L202-Y207 HydrophobicContact CD2-CE1 3.97Å; L202-Y207 HydrophobicContact CD2-CG 4.46Å; L202-F209 HydrophobicContact CD2-CZ 4.29Å; L202-V227 HydrophobicContact CD1-CG1 4.19Å; L202-V229 HydrophobicContact CB-CG2 3.8Å; L202-V229 HydrophobicContact CD1-CG2 4.12Å |
| 203 | A | 92.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -89.7 | 155.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G205 Y207 | A203-G205 PolarHBondContact O-N 3Å; A203-Y207 PolarHBondContact N-OH 2.79Å; A203-Y207 WeakPolarHBondContact O-CE2 3.44Å; A203-Y207 PolarHBondContact O-OH 2.77Å |
| 204 | S | 93.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -49 | 132.6 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 113 | P155 V229 L230 | P155-S204 WeakPolarHBondContact CG-OG 3.45Å; S204-V229 CarbonylContact C-O 3.59Å; S204-V229 WeakPolarHBondContact CA-O 3.33Å; S204-L230 WeakPolarHBondContact CB-O 3.38Å; S204-L230 PolarHBondContact OG-O 3.49Å |
| 205 | G | 93.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | A203 V229 | A203-G205 PolarHBondContact O-N 3Å; G205-V229 PolarHBondContact N-O 3.41Å; G205-V229 PolarHBondContact O-N 3.46Å |
| 206 | V | 95.2 | Very high | 94.7 | Very high | 80 Ų | 80 | 30.8 Ų | 30.8 | 49% | 0.485 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.1 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | T226 L228 | V206-T226 HydrophobicContact CG1-CG2 3.5Å; V206-L228 HydrophobicContact CG2-CD1 3.96Å |
| 207 | Y | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.4 | 174.1 | -58.8 | -107 | 0 | 0 | 0 | 108.9 | L179 S181 N183 A186 L202 A203 F209 T226 V227 V229 | L179-Y207 HydrophobicContact CD1-CD1 3.98Å; S181-Y207 CarbonylContact O-C 3.56Å; S181-Y207 VanDerWaalsContact O-CA 3.28Å; S181-Y207 WeakPolarHBondContact O-CA 3.46Å; N183-Y207 HydrophobicContact CB-CE1 3.85Å; N183-Y207 WeakPolarHBondContact CB-OH 3.22Å; N183-Y207 VanDerWaalsContact N-CE1 3.31Å; A186-Y207 HydrophobicContact CB-CD1 4.23Å; A186-Y207 HydrophobicContact CB-CE1 3.98Å; L202-Y207 HydrophobicContact CD2-CD1 4.11Å; L202-Y207 HydrophobicContact CD2-CE1 3.97Å; L202-Y207 HydrophobicContact CD2-CG 4.46Å; A203-Y207 PolarHBondContact N-OH 2.79Å; A203-Y207 WeakPolarHBondContact O-CE2 3.44Å; A203-Y207 PolarHBondContact O-OH 2.77Å; Y207-F209 HydrophobicContact CD1-CZ 4.46Å; Y207-F209 HydrophobicContact CG-CE2 4.37Å; Y207-T226 CarbonylContact O-C 3.59Å; Y207-T226 WeakPolarHBondContact O-CA 3.42Å; Y207-V227 PolarHBondContact N-O 3.42Å; Y207-V227 PolarHBondContact O-N 3.3Å; Y207-V229 HydrophobicContact CD2-CG2 3.68Å; Y207-V229 HydrophobicContact CE2-CB 4.22Å; Y207-V229 HydrophobicContact CE2-CG2 3.5Å |
| 208 | K | 96.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.8 | 169.5 | -66.5 | -169.9 | 170.6 | -160.2 | 0 | 108.8 | V180 S181 I225 | V180-K208 HydrophobicContact CB-CB 4.3Å; V180-K208 PolarHBondContact N-O 3.31Å; S181-K208 PolarHBondContact N-O 3.38Å; S181-K208 PolarHBondContact O-N 3.41Å; S181-K208 WeakPolarHBondContact OG-CB 3.46Å; S181-K208 WeakPolarHBondContact OG-CG 3.15Å; K208-I225 WeakPolarHBondContact CA-O 3.49Å |
| 209 | F | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.3 | 173.8 | -64.2 | -84.9 | 0 | 0 | 0 | 108.7 | L161 W177 H178 L179 I188 V199 L202 Y207 Q224 I225 V227 | L161-F209 HydrophobicContact CD1-CB 4.1Å; L161-F209 HydrophobicContact CD1-CD1 4.38Å; L161-F209 HydrophobicContact CD1-CD2 4.08Å; L161-F209 HydrophobicContact CD1-CG 3.93Å; W177-F209 HydrophobicContact CE3-CB 4.12Å; W177-F209 HydrophobicContact CZ3-CB 4.16Å; H178-F209 WeakPolarHBondContact O-CA 3.32Å; L179-F209 HydrophobicContact CB-CD1 4.37Å; L179-F209 HydrophobicContact CB-CE1 4.27Å; L179-F209 HydrophobicContact CD1-CD1 4.06Å; L179-F209 HydrophobicContact CD1-CE1 3.7Å; L179-F209 HydrophobicContact CD1-CE2 4.48Å; L179-F209 HydrophobicContact CD1-CZ 3.93Å; I188-F209 HydrophobicContact CD1-CD1 3.99Å; I188-F209 HydrophobicContact CD1-CE1 3.91Å; I188-F209 HydrophobicContact CG1-CE1 4.15Å; V199-F209 HydrophobicContact CB-CE1 4.35Å; V199-F209 HydrophobicContact CB-CZ 4.05Å; V199-F209 HydrophobicContact CG1-CD1 4.28Å; V199-F209 HydrophobicContact CG1-CE1 3.79Å; V199-F209 HydrophobicContact CG1-CZ 3.96Å; V199-F209 HydrophobicContact CG2-CE2 4.38Å; V199-F209 HydrophobicContact CG2-CZ 4.24Å; L202-F209 HydrophobicContact CD2-CZ 4.29Å; Y207-F209 HydrophobicContact CD1-CZ 4.46Å; Y207-F209 HydrophobicContact CG-CE2 4.37Å; F209-Q224 WeakPolarHBondContact O-CA 3.38Å; F209-I225 HydrophobicContact CB-CG1 4.05Å; F209-I225 PolarHBondContact N-O 2.95Å; F209-I225 PolarHBondContact O-N 3.06Å; F209-V227 HydrophobicContact CD2-CB 4.39Å; F209-V227 HydrophobicContact CD2-CG2 3.74Å; F209-V227 HydrophobicContact CE2-CB 4.13Å; F209-V227 HydrophobicContact CE2-CG2 3.82Å |
| 210 | Q | 96.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.2 | 177.3 | -178.6 | 171.9 | -44.2 | 0 | 0 | 109.7 | W177 H178 V180 T223 Q224 | W177-Q210 WeakPolarHBondContact CA-O 3.06Å; H178-Q210 PolarHBondContact N-O 2.87Å; H178-Q210 PolarHBondContact ND1-O 3.38Å; H178-Q210 PolarHBondContact O-N 3.48Å; V180-Q210 HydrophobicContact CG2-CB 3.44Å; V180-Q210 VanDerWaalsContact CG2-CB 3.44Å; V180-Q210 HydrophobicContact CG2-CG 4.46Å; Q210-T223 CarbonylContact C-O 3.55Å; Q210-T223 VanDerWaalsContact CA-O 3.3Å; Q210-T223 WeakPolarHBondContact CA-O 3.36Å; Q210-T223 WeakPolarHBondContact CG-O 3.48Å; Q210-Q224 HydrophobicContact CB-CG 4.05Å; Q210-Q224 HydrophobicContact CG-CG 4.06Å |
| 211 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.6 | 168.3 | 168.3 | 61.7 | 0 | 0 | 0 | 108.1 | Y175 W177 V213 Q222 T223 | Y175-L211 HydrophobicContact CD1-CD1 4.12Å; W177-L211 HydrophobicContact CD2-CB 4.01Å; W177-L211 HydrophobicContact CD2-CD1 4.24Å; W177-L211 HydrophobicContact CE3-CB 3.9Å; W177-L211 HydrophobicContact CG-CD1 4.42Å; W177-L211 HydrophobicContact CH2-CB 3.84Å; W177-L211 HydrophobicContact CH2-CD2 4.38Å; W177-L211 HydrophobicContact CZ2-CB 3.92Å; W177-L211 HydrophobicContact CZ2-CD1 4.32Å; W177-L211 HydrophobicContact CZ2-CD2 3.94Å; W177-L211 HydrophobicContact CZ2-CG 4.27Å; W177-L211 HydrophobicContact CZ3-CB 3.82Å; L211-V213 HydrophobicContact CD1-CG2 4.05Å; L211-V213 HydrophobicContact CD2-CG2 3.93Å; L211-V213 HydrophobicContact CG-CG2 3.83Å; L211-Q222 VanDerWaalsContact O-CA 3.31Å; L211-Q222 WeakPolarHBondContact O-CA 3.33Å; L211-T223 HydrophobicContact CB-CG2 3.93Å; L211-T223 HydrophobicContact CD2-CG2 4.24Å; L211-T223 HydrophobicContact CG-CG2 4.38Å; L211-T223 PolarHBondContact N-O 2.94Å; L211-T223 PolarHBondContact O-N 3.44Å |
| 212 | T | 96.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.3 | 164.4 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | L176 D221 Q222 | L176-T212 PolarHBondContact N-O 2.84Å; L176-T212 PolarHBondContact O-N 2.03Å; T212-D221 WeakPolarHBondContact CA-O 3.13Å; T212-Q222 HydrophobicContact CG2-CG 3.99Å |
| 213 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.7 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | P143 A145 I172 Y175 L211 S220 D221 | P143-V213 HydrophobicContact CB-CG1 3.94Å; P143-V213 HydrophobicContact CG-CG1 4.25Å; A145-V213 HydrophobicContact CB-CB 4.07Å; A145-V213 HydrophobicContact CB-CG2 3.63Å; I172-V213 HydrophobicContact CB-CG1 4.34Å; I172-V213 HydrophobicContact CD1-CG1 3.85Å; I172-V213 HydrophobicContact CG1-CG1 3.96Å; I172-V213 HydrophobicContact CG2-CG1 3.43Å; I172-V213 VanDerWaalsContact CG2-CG1 3.43Å; Y175-V213 HydrophobicContact CD1-CG2 4.07Å; Y175-V213 HydrophobicContact CE1-CG2 4.32Å; L211-V213 HydrophobicContact CD1-CG2 4.05Å; L211-V213 HydrophobicContact CD2-CG2 3.93Å; L211-V213 HydrophobicContact CG-CG2 3.83Å; V213-S220 WeakPolarHBondContact O-CA 3.22Å; V213-S220 WeakPolarHBondContact O-CB 3.48Å; V213-D221 PolarHBondContact N-O 3.41Å; V213-D221 PolarHBondContact O-N 3.03Å |
| 214 | T | 94.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.6 | 176.3 | -43.4 | 0 | 0 | 0 | 0 | 110.3 | V173 T174 Q219 | V173-T214 WeakPolarHBondContact CG2-O 3.44Å; V173-T214 PolarHBondContact N-O 3.05Å; T174-T214 PolarHBondContact N-O 2.77Å; T174-T214 PolarHBondContact O-N 2.67Å; T174-T214 WeakPolarHBondContact OG1-CB 3.15Å; T174-T214 PolarHBondContact OG1-OG1 3.43Å; T214-Q219 VanDerWaalsContact CA-O 3.27Å; T214-Q219 WeakPolarHBondContact CA-O 3.38Å; T214-Q219 WeakPolarHBondContact CG2-O 3.21Å |
| 215 | D | 93.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -79.1 | 179.4 | 179.4 | 69.4 | 15.3 | 0 | 0 | 0 | 112.5 | P143 D168 V173 S217 G218 Q219 | P143-D215 HydrophobicContact CG-CB 4.28Å; D168-D215 VanDerWaalsContact OD2-CB 3.23Å; D168-D215 WeakPolarHBondContact OD2-CB 3.23Å; V173-D215 WeakPolarHBondContact CG2-O 3.3Å; D215-S217 PolarHBondContact O-N 3.38Å; D215-S217 VanDerWaalsContact OD1-C 3.3Å; D215-S217 WeakPolarHBondContact OD1-CA 3.47Å; D215-S217 PolarHBondContact OD1-N 3.36Å; D215-G218 WeakPolarHBondContact OD1-CA 3.08Å; D215-G218 PolarHBondContact OD1-N 3.25Å; D215-Q219 PolarHBondContact N-O 3.08Å; D215-Q219 PolarHBondContact OD1-N 3.25Å; D215-Q219 WeakPolarHBondContact OD2-CB 3.21Å; D215-Q219 VanDerWaalsContact OD2-CG 3.23Å; D215-Q219 WeakPolarHBondContact OD2-CG 3.31Å; D215-Q219 PolarHBondContact OD2-NE2 3.29Å | ||
| 216 | S | 92.2 | Very high | 94.4 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.3 | 176.4 | 71.3 | 0 | 0 | 0 | 0 | 115.2 | D171 | D171-S216 PolarHBondContact O-N 3.03Å; D171-S216 VanDerWaalsContact O-N 3.08Å |
| 217 | S | 90 | Very high | 94.5 | Very high | 74 Ų | 74 | 38 Ų | 38 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -12.1 | -177.7 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | D140 D215 | D140-S217 WeakPolarHBondContact OD2-CB 3.48Å; D140-S217 PolarHBondContact OD2-OG 2.68Å; D215-S217 PolarHBondContact O-N 3.38Å; D215-S217 VanDerWaalsContact OD1-C 3.3Å; D215-S217 WeakPolarHBondContact OD1-CA 3.47Å; D215-S217 PolarHBondContact OD1-N 3.36Å |
| 218 | G | 91.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 61% | 0.608 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 95.3 | 9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D215 | D215-G218 WeakPolarHBondContact OD1-CA 3.08Å; D215-G218 PolarHBondContact OD1-N 3.25Å |
| 219 | Q | 93 | Very high | 94.3 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | -80.4 | 153.1 | 170.1 | -41 | 174.5 | 95.2 | 0 | 0 | 109.9 | D140 N141 P142 T214 D215 | D140-Q219 VanDerWaalsContact CG-NE2 3.26Å; D140-Q219 PolarHBondContact OD1-NE2 3.22Å; D140-Q219 PolarHBondContact OD2-NE2 3.4Å; N141-Q219 PolarHBondContact O-NE2 3.06Å; P142-Q219 HydrophobicContact CB-CB 4.15Å; T214-Q219 VanDerWaalsContact CA-O 3.27Å; T214-Q219 WeakPolarHBondContact CA-O 3.38Å; T214-Q219 WeakPolarHBondContact CG2-O 3.21Å; D215-Q219 PolarHBondContact N-O 3.08Å; D215-Q219 PolarHBondContact OD1-N 3.25Å; D215-Q219 WeakPolarHBondContact OD2-CB 3.21Å; D215-Q219 VanDerWaalsContact OD2-CG 3.23Å; D215-Q219 WeakPolarHBondContact OD2-CG 3.31Å; D215-Q219 PolarHBondContact OD2-NE2 3.29Å | ||
| 220 | S | 93.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144.6 | -174.3 | 68.6 | 0 | 0 | 0 | 0 | 113.2 | V213 | V213-S220 WeakPolarHBondContact O-CA 3.22Å; V213-S220 WeakPolarHBondContact O-CB 3.48Å |
| 221 | D | 93.6 | Very high | 94 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 162.7 | 171.9 | -178.5 | 41.5 | 0 | 0 | 0 | 111.3 | P143 A145 T212 V213 | P143-D221 WeakPolarHBondContact O-CB 3.4Å; A145-D221 HydrophobicContact CB-CB 4.12Å; A145-D221 VanDerWaalsContact CB-OD2 3.29Å; A145-D221 WeakPolarHBondContact CB-OD2 3.42Å; A145-D221 PolarHBondContact N-OD2 3.22Å; T212-D221 WeakPolarHBondContact CA-O 3.13Å; V213-D221 PolarHBondContact N-O 3.41Å; V213-D221 PolarHBondContact O-N 3.03Å |
| 222 | Q | 94.2 | Very high | 93.6 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 127.3 | -168.4 | -50.8 | -172.5 | -1.6 | 0 | 0 | 112.1 | L211 T212 | L211-Q222 VanDerWaalsContact O-CA 3.31Å; L211-Q222 WeakPolarHBondContact O-CA 3.33Å; T212-Q222 HydrophobicContact CG2-CG 3.99Å |
| 223 | T | 92.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.2 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | A145 Q210 L211 | A145-T223 HydrophobicContact CB-CG2 3.86Å; A145-T223 VanDerWaalsContact O-CB 3.23Å; A145-T223 WeakPolarHBondContact O-CB 3.2Å; A145-T223 VanDerWaalsContact O-CG2 3.24Å; A145-T223 WeakPolarHBondContact O-CG2 3.46Å; Q210-T223 CarbonylContact C-O 3.55Å; Q210-T223 VanDerWaalsContact CA-O 3.3Å; Q210-T223 WeakPolarHBondContact CA-O 3.36Å; Q210-T223 WeakPolarHBondContact CG-O 3.48Å; L211-T223 HydrophobicContact CB-CG2 3.93Å; L211-T223 HydrophobicContact CD2-CG2 4.24Å; L211-T223 HydrophobicContact CG-CG2 4.38Å; L211-T223 PolarHBondContact N-O 2.94Å; L211-T223 PolarHBondContact O-N 3.44Å |
| 224 | Q | 94.3 | Very high | 93 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.2 | -179.6 | -66.2 | -168.3 | -1.9 | 0 | 0 | 111.5 | F209 Q210 | F209-Q224 WeakPolarHBondContact O-CA 3.38Å; Q210-Q224 HydrophobicContact CB-CG 4.05Å; Q210-Q224 HydrophobicContact CG-CG 4.06Å |
| 225 | I | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.6 | 170.8 | 70.2 | 173 | 0 | 0 | 0 | 110.4 | G148 L161 W177 K208 F209 | G148-I225 VanDerWaalsContact O-CG2 3.25Å; G148-I225 WeakPolarHBondContact O-CG2 3.01Å; L161-I225 HydrophobicContact CD1-CD1 3.93Å; L161-I225 HydrophobicContact CD2-CD1 3.53Å; L161-I225 HydrophobicContact CG-CD1 4.19Å; W177-I225 HydrophobicContact CH2-CD1 3.86Å; W177-I225 HydrophobicContact CH2-CG1 4.47Å; W177-I225 HydrophobicContact CZ3-CD1 3.75Å; W177-I225 HydrophobicContact CZ3-CG1 4.04Å; K208-I225 WeakPolarHBondContact CA-O 3.49Å; F209-I225 HydrophobicContact CB-CG1 4.05Å; F209-I225 PolarHBondContact N-O 2.95Å; F209-I225 PolarHBondContact O-N 3.06Å |
| 226 | T | 95.5 | Very high | 92.6 | Very high | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.2 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | D150 R151 V206 Y207 | D150-T226 CarbonylContact C-O 3.57Å; D150-T226 WeakPolarHBondContact CA-O 2.97Å; D150-T226 WeakPolarHBondContact CB-O 3.23Å; D150-T226 WeakPolarHBondContact OD1-CA 3.2Å; D150-T226 WeakPolarHBondContact OD1-CB 3.13Å; D150-T226 PolarHBondContact OD1-N 2.76Å; R151-T226 PolarHBondContact N-O 3.44Å; V206-T226 HydrophobicContact CG1-CG2 3.5Å; Y207-T226 CarbonylContact O-C 3.59Å; Y207-T226 WeakPolarHBondContact O-CA 3.42Å |
| 227 | V | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108.1 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | R151 V153 L159 L202 Y207 F209 V229 | R151-V227 HydrophobicContact CB-CG1 4.38Å; R151-V227 HydrophobicContact CB-CG2 4.26Å; R151-V227 CarbonylContact O-C 3.46Å; R151-V227 WeakPolarHBondContact O-CA 3.35Å; V153-V227 HydrophobicContact CG1-CG1 4.46Å; V153-V227 HydrophobicContact CG2-CG1 3.93Å; L159-V227 HydrophobicContact CD2-CB 4.4Å; L159-V227 HydrophobicContact CD2-CG1 3.72Å; L159-V227 HydrophobicContact CD2-CG2 3.72Å; L202-V227 HydrophobicContact CD1-CG1 4.19Å; Y207-V227 PolarHBondContact N-O 3.42Å; Y207-V227 PolarHBondContact O-N 3.3Å; F209-V227 HydrophobicContact CD2-CB 4.39Å; F209-V227 HydrophobicContact CD2-CG2 3.74Å; F209-V227 HydrophobicContact CE2-CB 4.13Å; F209-V227 HydrophobicContact CE2-CG2 3.82Å; V227-V229 HydrophobicContact CG1-CG2 4.28Å |
| 228 | L | 95.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112.5 | 171.2 | 174 | 62 | 0 | 0 | 0 | 109 | R151 V152 V153 V206 L230 | R151-L228 PolarHBondContact O-N 2.9Å; V152-L228 WeakPolarHBondContact CA-O 3.46Å; V152-L228 HydrophobicContact CG2-CB 4.5Å; V152-L228 HydrophobicContact CG2-CD2 4.49Å; V153-L228 PolarHBondContact N-O 2.98Å; V206-L228 HydrophobicContact CG2-CD1 3.96Å; L228-L230 HydrophobicContact CD2-CD2 4.05Å; L228-L230 HydrophobicContact CG-CD2 4.24Å |
| 229 | V | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.2 | 172.2 | -172.3 | 0 | 0 | 0 | 0 | 107.2 | V153 P155 L202 S204 G205 Y207 V227 | V153-V229 HydrophobicContact CG2-CB 4.24Å; V153-V229 HydrophobicContact CG2-CG1 4.31Å; V153-V229 HydrophobicContact CG2-CG2 3.78Å; V153-V229 WeakPolarHBondContact O-CA 2.95Å; P155-V229 HydrophobicContact CB-CG1 4.15Å; P155-V229 HydrophobicContact CG-CG1 4.06Å; L202-V229 HydrophobicContact CB-CG2 3.8Å; L202-V229 HydrophobicContact CD1-CG2 4.12Å; S204-V229 CarbonylContact C-O 3.59Å; S204-V229 WeakPolarHBondContact CA-O 3.33Å; G205-V229 PolarHBondContact N-O 3.41Å; G205-V229 PolarHBondContact O-N 3.46Å; Y207-V229 HydrophobicContact CD2-CG2 3.68Å; Y207-V229 HydrophobicContact CE2-CB 4.22Å; Y207-V229 HydrophobicContact CE2-CG2 3.5Å; V227-V229 HydrophobicContact CG1-CG2 4.28Å |
| 230 | L | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -63.6 | 141.8 | -167.3 | -67 | 169.5 | 0 | 0 | 0 | 112.5 | V152 V153 P155 S204 L228 Q234 S235 H238 A288 | V152-L230 HydrophobicContact CG1-CD1 3.7Å; V152-L230 HydrophobicContact CG1-CD2 3.7Å; V152-L230 HydrophobicContact CG1-CG 3.7Å; V153-L230 PolarHBondContact O-N 3.19Å; P155-L230 WeakPolarHBondContact CG-O 3.17Å; S204-L230 WeakPolarHBondContact CB-O 3.38Å; S204-L230 PolarHBondContact OG-O 3.49Å; L228-L230 HydrophobicContact CD2-CD2 4.05Å; L228-L230 HydrophobicContact CG-CD2 4.24Å; L230-Q234 HydrophobicContact CB-CB 4.37Å; L230-Q234 HydrophobicContact CD2-CB 3.58Å; L230-S235 WeakPolarHBondContact CB-OG 3.42Å; L230-H238 HydrophobicContact CD1-CB 3.87Å; L230-H238 HydrophobicContact CD2-CB 4.28Å; L230-H238 VanDerWaalsContact CD2-CD2 3.4Å; L230-H238 WeakPolarHBondContact CD2-CD2 3.23Å; L230-A288 VanDerWaalsContact CD1-O 3.29Å; L230-A288 WeakPolarHBondContact CD1-O 3.3Å | ||
| 231 | T | 92.1 | Very high | 92.3 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | trans | -78.8 | 162.8 | 159.9 | 70.3 | 0 | 0 | 0 | 0 | 109.9 | E233 Q234 S235 | T231-E233 PolarHBondContact O-N 3.03Å; T231-Q234 PolarHBondContact O-N 3.17Å; T231-Q234 VanDerWaalsContact O-N 3.12Å; T231-Q234 WeakPolarHBondContact OG1-CG 3.47Å; T231-Q234 PolarHBondContact OG1-N 3.37Å; T231-Q234 VanDerWaalsContact OG1-N 3.12Å; T231-S235 PolarHBondContact O-N 2.72Å; T231-S235 PolarHBondContact O-OG 3.11Å | ||
| 232 | P | 88.7 | Confident | 92.2 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -54.2 | -38.3 | 173.5 | -27.9 | 36.3 | 0 | 0 | 0 | 113.4 | S235 E236 | P232-S235 WeakPolarHBondContact O-CB 3.34Å; P232-S235 PolarHBondContact O-N 3.44Å; P232-E236 PolarHBondContact O-N 3.28Å |
| 233 | E | 87.2 | Confident | 92.2 | Very high | 148 Ų | 148 | 46.5 Ų | 46.5 | 69% | 0.692 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.1 | -42.6 | 176.4 | -179.1 | 176.8 | -166.6 | 0 | 0 | 112.2 | T231 S235 E236 | T231-E233 PolarHBondContact O-N 3.03Å; E233-S235 VanDerWaalsContact C-N 3.3Å; E233-S235 PolarHBondContact O-N 2.93Å; E233-E236 WeakPolarHBondContact O-CB 2.94Å; E233-E236 PolarHBondContact O-N 3.29Å |
| 234 | Q | 91.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.4 | -33 | 175.1 | -66.7 | 172.5 | -44.5 | 0 | 0 | 111.9 | L230 T231 E236 N237 H238 | L230-Q234 HydrophobicContact CB-CB 4.37Å; L230-Q234 HydrophobicContact CD2-CB 3.58Å; T231-Q234 PolarHBondContact O-N 3.17Å; T231-Q234 VanDerWaalsContact O-N 3.12Å; T231-Q234 WeakPolarHBondContact OG1-CG 3.47Å; T231-Q234 PolarHBondContact OG1-N 3.37Å; T231-Q234 VanDerWaalsContact OG1-N 3.12Å; Q234-E236 VanDerWaalsContact C-N 3.27Å; Q234-E236 PolarHBondContact O-N 3.42Å; Q234-N237 PolarHBondContact O-N 3.19Å; Q234-H238 WeakPolarHBondContact O-CB 3.29Å; Q234-H238 PolarHBondContact O-CD2 3.29Å; Q234-H238 PolarHBondContact O-N 2.69Å |
| 235 | S | 91.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -27.9 | 173 | -62 | 0 | 0 | 0 | 0 | 112.9 | Q154 L230 T231 P232 E233 C239 M240 | Q154-S235 PolarHBondContact NE2-OG 2.94Å; Q154-S235 PolarHBondContact OE1-OG 3.16Å; L230-S235 WeakPolarHBondContact CB-OG 3.42Å; T231-S235 PolarHBondContact O-N 2.72Å; T231-S235 PolarHBondContact O-OG 3.11Å; P232-S235 WeakPolarHBondContact O-CB 3.34Å; P232-S235 PolarHBondContact O-N 3.44Å; E233-S235 VanDerWaalsContact C-N 3.3Å; E233-S235 PolarHBondContact O-N 2.93Å; S235-C239 VanDerWaalsContact O-CB 3.32Å; S235-C239 WeakPolarHBondContact O-CB 3.5Å; S235-C239 PolarHBondContact O-N 3.42Å; S235-M240 PolarHBondContact O-N 2.89Å |
| 236 | E | 88.6 | Confident | 92.3 | Very high | 54 Ų | 54 | 46 Ų | 46 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -58.3 | -49.6 | 170.6 | -63.1 | -179.6 | -174 | 0 | 0 | 109.5 | P232 E233 Q234 M240 V241 R299 | P232-E236 PolarHBondContact O-N 3.28Å; E233-E236 WeakPolarHBondContact O-CB 2.94Å; E233-E236 PolarHBondContact O-N 3.29Å; Q234-E236 VanDerWaalsContact C-N 3.27Å; Q234-E236 PolarHBondContact O-N 3.42Å; E236-M240 HydrophobicContact CG-SD 4.16Å; E236-M240 CarbonylContact O-C 3.59Å; E236-M240 WeakPolarHBondContact O-CA 3.47Å; E236-M240 WeakPolarHBondContact O-CB 3.37Å; E236-M240 PolarHBondContact O-N 3.01Å; E236-V241 PolarHBondContact O-N 2.01Å; E236-R299 IonicContact OE1-NH1 3.51Å |
| 237 | N | 89.4 | Confident | 92.2 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -78.6 | -29.1 | -178.4 | -67.7 | -15 | 0 | 0 | 0 | 115 | Q234 V241 L276 | Q234-N237 PolarHBondContact O-N 3.19Å; N237-V241 WeakPolarHBondContact O-CG2 3.39Å; N237-L276 HydrophobicContact CB-CD1 4.18Å; N237-L276 WeakPolarHBondContact O-CB 3.43Å |
| 238 | H | 93.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -86 | -24.6 | -179.9 | -88 | -82.9 | 0 | 0 | 0 | 114.1 | L230 Q234 L276 N277 Y279 C289 | L230-H238 HydrophobicContact CD1-CB 3.87Å; L230-H238 HydrophobicContact CD2-CB 4.28Å; L230-H238 VanDerWaalsContact CD2-CD2 3.4Å; L230-H238 WeakPolarHBondContact CD2-CD2 3.23Å; Q234-H238 WeakPolarHBondContact O-CB 3.29Å; Q234-H238 PolarHBondContact O-CD2 3.29Å; Q234-H238 PolarHBondContact O-N 2.69Å; H238-L276 PolarHBondContact ND1-O 2.86Å; H238-N277 WeakPolarHBondContact O-CA 3.23Å; H238-N277 WeakPolarHBondContact O-CB 3.24Å; H238-N277 PolarHBondContact O-OD1 3.14Å; H238-Y279 PolarHBondContact ND1-OH 2.83Å; H238-Y279 PolarHBondContact O-OH 3.37Å; H238-C289 PolarHBondContact O-SG 2.03Å |
| 239 | C | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -133.1 | -36 | -169.5 | -52.9 | 0 | 0 | 0 | 0 | 114 | S235 Y257 N277 A288 C289 V292 | S235-C239 VanDerWaalsContact O-CB 3.32Å; S235-C239 WeakPolarHBondContact O-CB 3.5Å; S235-C239 PolarHBondContact O-N 3.42Å; C239-Y257 HydrophobicContact CB-CD1 3.94Å; C239-Y257 HydrophobicContact CB-CG 4.37Å; C239-Y257 WeakPolarHBondContact O-CD1 3.23Å; C239-N277 PolarHBondContact O-ND2 3.19Å; C239-A288 PolarHBondContact SG-O 2.82Å; C239-C289 VanDerWaalsContact CA-SG 3.51Å; C239-C289 HydrophobicContact CB-CB 3.72Å; C239-C289 WeakPolarHBondContact CB-SG 3Å; C239-C289 WeakPolarHBondContact SG-CA 3.37Å; C239-C289 WeakPolarHBondContact SG-CB 3.31Å; C239-C289 CovalentContact SG-SG 2.03Å; C239-C289 PolarHBondContact SG-SG 2.02Å; C239-V292 HydrophobicContact CB-CB 4.5Å; C239-V292 HydrophobicContact CB-CG1 4.15Å |
| 240 | M | 89.4 | Confident | 91.9 | Very high | 63 Ų | 63 | 53 Ų | 53 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -90.8 | -23 | -173.3 | -54.6 | -172.7 | -177.9 | 0 | 0 | 113.9 | S235 E236 V292 | S235-M240 PolarHBondContact O-N 2.89Å; E236-M240 HydrophobicContact CG-SD 4.16Å; E236-M240 CarbonylContact O-C 3.59Å; E236-M240 WeakPolarHBondContact O-CA 3.47Å; E236-M240 WeakPolarHBondContact O-CB 3.37Å; E236-M240 PolarHBondContact O-N 3.01Å; M240-V292 HydrophobicContact CE-CG1 3.54Å; M240-V292 HydrophobicContact CG-CG1 4.41Å |
| 241 | V | 89.6 | Confident | 91.9 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -63.8 | 143.1 | 172.8 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | E236 N237 N275 N277 | E236-V241 PolarHBondContact O-N 2.01Å; N237-V241 WeakPolarHBondContact O-CG2 3.39Å; V241-N275 WeakPolarHBondContact CG2-ND2 3.31Å; V241-N277 HydrophobicContact CG2-CB 3.58Å; V241-N277 PolarHBondContact O-ND2 2.61Å |
| 242 | P | 91.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 55 Ų | 55 | 69% | 0.688 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 157.1 | 174.7 | -23.4 | 34 | 0 | 0 | 0 | 113 | K244 N275 | P242-K244 PolarHBondContact O-N 2.83Å; P242-N275 PolarHBondContact O-ND2 3.41Å |
| 243 | K | 94.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 53.4 Ų | 53.4 | 39% | 0.391 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 128.1 | 168.1 | 42.6 | 163.1 | 161.1 | -104.4 | 0 | 111.4 | H256 F267 | K243-H256 HydrophobicContact CB-CB 4.14Å; K243-H256 WeakPolarHBondContact CD-NE2 3.3Å; K243-H256 PolarHBondContact NZ-NE2 3.03Å; K243-F267 HydrophobicContact CB-CD1 4.37Å; K243-F267 HydrophobicContact CB-CD2 4.03Å; K243-F267 HydrophobicContact CB-CE1 4.47Å; K243-F267 HydrophobicContact CB-CE2 4.14Å; K243-F267 HydrophobicContact CB-CG 4.15Å; K243-F267 HydrophobicContact CB-CZ 4.35Å; K243-F267 HydrophobicContact CD-CB 3.66Å; K243-F267 HydrophobicContact CD-CD2 4.06Å; K243-F267 HydrophobicContact CD-CG 3.91Å |
| 244 | K | 94.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | trans | -105.9 | 114.5 | 175.2 | -175.4 | 165.3 | 178.5 | 169.3 | 0 | 110.8 | P242 G246 F267 R273 N275 G330 L331 E332 C333 D334 | P242-K244 PolarHBondContact O-N 2.83Å; K244-G246 VanDerWaalsContact C-N 3.3Å; K244-F267 WeakPolarHBondContact O-CE2 3.39Å; K244-R273 WeakPolarHBondContact CD-O 3.29Å; K244-R273 WeakPolarHBondContact CE-O 3.41Å; K244-N275 HydrophobicContact CB-CB 4.22Å; K244-N275 HydrophobicContact CD-CB 4.26Å; K244-G330 VanDerWaalsContact CD-O 3.26Å; K244-G330 WeakPolarHBondContact CD-O 3.25Å; K244-G330 PolarHBondContact NZ-O 2.81Å; K244-L331 PolarHBondContact NZ-O 3.14Å; K244-E332 WeakPolarHBondContact CE-O 3.32Å; K244-E332 PolarHBondContact NZ-O 2.87Å; K244-C333 VanDerWaalsContact CE-O 3.28Å; K244-C333 WeakPolarHBondContact CE-O 3.16Å; K244-D334 HydrophobicContact CD-CB 4.4Å | ||
| 245 | V | 94.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | trans | -69.7 | -31.8 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | F269 G270 | V245-F269 WeakPolarHBondContact O-CD2 3.44Å; V245-G270 VanDerWaalsContact O-CA 3.3Å; V245-G270 WeakPolarHBondContact O-CA 3.36Å; V245-G270 PolarHBondContact O-N 3.37Å | ||
| 246 | G | 93.3 | Very high | 93.5 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | trans | 79.5 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K244 | K244-G246 VanDerWaalsContact C-N 3.3Š| ||
| 247 | P | 94.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -83.4 | -23.8 | -177.6 | 33.4 | -35.8 | 0 | 0 | 0 | 113.3 | R273 C333 C348 L351 N352 | P247-R273 HydrophobicContact CG-CB 4.5Å; P247-R273 HydrophobicContact CG-CG 4.17Å; P247-C333 HydrophobicContact CB-CB 4.08Å; P247-C333 HydrophobicContact CG-CB 3.7Å; P247-C348 HydrophobicContact CB-CB 3.89Å; P247-C348 HydrophobicContact CG-CB 4.37Å; P247-L351 HydrophobicContact CG-CD2 4.06Å; P247-N352 WeakPolarHBondContact O-CB 3.32Å |
| 248 | C | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -68.1 | 147 | 178.2 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | G270 C272 F355 | C248-G270 CarbonylContact C-O 3.58Å; C248-G270 WeakPolarHBondContact CB-O 3.49Å; C248-G270 WeakPolarHBondContact O-CA 3.03Å; C248-C272 HydrophobicContact CB-CB 4.01Å; C248-C272 WeakPolarHBondContact CB-SG 3.36Å; C248-C272 WeakPolarHBondContact SG-CB 3.49Å; C248-C272 CovalentContact SG-SG 2.03Å; C248-C272 PolarHBondContact SG-SG 2.96Å; C248-F355 HydrophobicContact CB-CB 4.33Å; C248-F355 HydrophobicContact CB-CD1 3.62Å; C248-F355 HydrophobicContact CB-CE1 4.15Å; C248-F355 HydrophobicContact CB-CG 4.1Å; C248-F355 VanDerWaalsContact SG-CB 3.55Å |
| 249 | R | 92.2 | Very high | 93.8 | Very high | 168 Ų | 168 | 43.1 Ų | 43.1 | 63% | 0.634 | 24% | 0.237 | S | C | * | . | trans | -106.8 | 40.1 | -177.9 | -60.3 | 180 | -167.9 | -173.1 | 4.1 | 114 | E349 N352 Q356 | R249-E349 IonicContact NH2-OE1 2.84Å; R249-N352 WeakPolarHBondContact CG-OD1 3.46Å; R249-N352 PolarHBondContact N-OD1 3.08Å; R249-N352 VanDerWaalsContact N-OD1 3.09Å; R249-N352 PolarHBondContact NE-ND2 3.24Å; R249-Q356 PolarHBondContact O-NE2 2.75Å; R249-Q356 VanDerWaalsContact O-NE2 3.11Å | ||
| 250 | G | 92.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | trans | -73.2 | -173.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G270 | G250-G270 VanDerWaalsContact CA-O 3.31Å; G250-G270 WeakPolarHBondContact CA-O 3.37Å; G250-G270 PolarHBondContact N-O 2.82Å | ||
| 251 | S | 94.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 58% | 0.58 | 27% | 0.274 | S | S | * | . | trans | -147.5 | 65.8 | 179.9 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 252 | F | 95.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.3 | -176.8 | -53.7 | -70.7 | 0 | 0 | 0 | 110 | D48 V51 K52 R254 F269 F355 L359 | D48-F252 VanDerWaalsContact O-CE1 3.28Å; D48-F252 WeakPolarHBondContact O-CE1 3.31Å; D48-F252 WeakPolarHBondContact OD1-CE1 3.23Å; V51-F252 HydrophobicContact CB-CD1 4.36Å; V51-F252 HydrophobicContact CB-CD2 4.48Å; V51-F252 HydrophobicContact CB-CE1 4.01Å; V51-F252 HydrophobicContact CB-CE2 4.12Å; V51-F252 HydrophobicContact CB-CZ 3.87Å; V51-F252 HydrophobicContact CG1-CD1 4.13Å; V51-F252 HydrophobicContact CG1-CD2 3.55Å; V51-F252 HydrophobicContact CG1-CE1 4.09Å; V51-F252 HydrophobicContact CG1-CE2 3.49Å; V51-F252 VanDerWaalsContact CG1-CE2 3.49Å; V51-F252 HydrophobicContact CG1-CG 3.88Å; V51-F252 HydrophobicContact CG1-CZ 3.78Å; K52-F252 HydrophobicContact CB-CD1 4Å; K52-F252 HydrophobicContact CB-CE1 4.46Å; F252-R254 PolarHBondContact O-N 3.08Å; F252-F269 WeakPolarHBondContact CD2-O 3.36Å; F252-F269 PolarHBondContact N-O 2.99Å; F252-F269 PolarHBondContact O-N 3.23Å; F252-F355 AromaticContact CE2-CE1 3.93Å; F252-F355 HydrophobicContact CE2-CE1 3.93Å; F252-F355 AromaticContact CE2-CZ 3.78Å; F252-F355 HydrophobicContact CE2-CZ 3.78Å; F252-F355 HydrophobicContact CZ-CE1 4.38Å; F252-F355 HydrophobicContact CZ-CZ 4.05Å; F252-L359 HydrophobicContact CZ-CD2 4.24Å |
| 253 | P | 96 | Very high | 93.8 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.1 | 176.1 | 27.9 | -33.5 | 0 | 0 | 0 | 109.7 | E266 | P253-E266 VanDerWaalsContact CB-OE1 3.29Å; P253-E266 WeakPolarHBondContact CB-OE1 3.31Å |
| 254 | R | 97.3 | Very high | 94 | Very high | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159 | 178.8 | -64.4 | -65 | -177.2 | 89.2 | -3.8 | 109.4 | V51 F252 E266 F267 F269 N278 | V51-R254 PolarHBondContact O-NH2 2.83Å; F252-R254 PolarHBondContact O-N 3.08Å; R254-E266 CarbonylContact O-C 3.01Å; R254-E266 WeakPolarHBondContact O-CA 3.41Å; R254-F267 HydrophobicContact CB-CD1 4.06Å; R254-F267 HydrophobicContact CB-CE1 3.55Å; R254-F267 HydrophobicContact CB-CZ 3.99Å; R254-F267 PolarHBondContact N-O 3.16Å; R254-F267 VanDerWaalsContact O-CD1 3.32Å; R254-F267 WeakPolarHBondContact O-CD1 3.43Å; R254-F267 PolarHBondContact O-N 2.92Å; R254-F269 HydrophobicContact CB-CB 4.21Å; R254-F269 HydrophobicContact CG-CB 3.52Å; R254-F269 HydrophobicContact CG-CD1 4.28Å; R254-F269 HydrophobicContact CG-CG 4.23Å; R254-N278 WeakPolarHBondContact CB-OD1 3.08Å; R254-N278 VanDerWaalsContact CD-OD1 3.31Å; R254-N278 WeakPolarHBondContact CD-OD1 3.48Å; R254-N278 VanDerWaalsContact CG-OD1 3.23Å; R254-N278 WeakPolarHBondContact CG-OD1 3.29Å; R254-N278 PolarHBondContact NH1-OD1 3.24Å |
| 255 | W | 97.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 52 Ų | 52 | 24% | 0.235 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.7 | 173.9 | -67.5 | 81.2 | 0 | 0 | 0 | 110.1 | C264 E265 E266 Y279 S281 L282 C285 | W255-C264 HydrophobicContact CE3-CB 4.1Å; W255-E265 WeakPolarHBondContact CA-O 3.25Å; W255-E266 HydrophobicContact CH2-CB 4.4Å; W255-E266 HydrophobicContact CZ2-CB 4.39Å; W255-E266 HydrophobicContact CZ3-CB 4.45Å; W255-Y279 PolarHBondContact N-O 3.45Å; W255-Y279 PolarHBondContact O-N 2.92Å; W255-S281 VanDerWaalsContact CD1-C 3.46Å; W255-L282 HydrophobicContact CD2-CB 3.88Å; W255-L282 HydrophobicContact CD2-CD1 4.44Å; W255-L282 HydrophobicContact CE3-CB 4.09Å; W255-L282 HydrophobicContact CE3-CD1 3.81Å; W255-L282 HydrophobicContact CE3-CG 4.49Å; W255-L282 HydrophobicContact CG-CB 4.46Å; W255-L282 HydrophobicContact CH2-CB 4.17Å; W255-L282 HydrophobicContact CH2-CD1 4.35Å; W255-L282 HydrophobicContact CH2-CD2 4.26Å; W255-L282 HydrophobicContact CH2-CG 4.49Å; W255-L282 HydrophobicContact CZ2-CB 3.97Å; W255-L282 HydrophobicContact CZ3-CB 4.23Å; W255-L282 HydrophobicContact CZ3-CD1 3.76Å; W255-L282 HydrophobicContact CZ3-CD2 4.45Å; W255-L282 HydrophobicContact CZ3-CG 4.36Å; W255-C285 HydrophobicContact CB-CB 3.99Å |
| 256 | H | 97.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.1 | 168.8 | 80.5 | 95.7 | 0 | 0 | 0 | 109.7 | K243 C264 E265 F267 N277 C285 | K243-H256 HydrophobicContact CB-CB 4.14Å; K243-H256 WeakPolarHBondContact CD-NE2 3.3Å; K243-H256 PolarHBondContact NZ-NE2 3.03Å; H256-C264 CarbonylContact O-C 3.49Å; H256-C264 WeakPolarHBondContact O-CA 3.42Å; H256-E265 PolarHBondContact CD2-O 2.81Å; H256-E265 VanDerWaalsContact CD2-O 3.28Å; H256-E265 PolarHBondContact N-O 3.41Å; H256-E265 PolarHBondContact O-N 3.22Å; H256-F267 HydrophobicContact CB-CD1 3.97Å; H256-F267 HydrophobicContact CB-CE1 3.81Å; H256-F267 AromaticContact CD2-CD1 3.62Å; H256-N277 WeakPolarHBondContact CA-OD1 3.02Å; H256-N277 WeakPolarHBondContact CB-O 3.39Å; H256-C285 VanDerWaalsContact C-SG 3.52Å |
| 257 | Y | 96.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 135.4 | 167.7 | -167.1 | -107.4 | 0 | 0 | 0 | 110.1 | C239 A259 E262 N277 C285 C289 V292 | C239-Y257 HydrophobicContact CB-CD1 3.94Å; C239-Y257 HydrophobicContact CB-CG 4.37Å; C239-Y257 WeakPolarHBondContact O-CD1 3.23Å; Y257-A259 HydrophobicContact CD1-CB 4.28Å; Y257-A259 HydrophobicContact CE1-CB 4.14Å; Y257-E262 WeakPolarHBondContact OH-CA 3.21Å; Y257-N277 PolarHBondContact N-OD1 2.83Å; Y257-N277 PolarHBondContact O-ND2 2.94Å; Y257-C285 PolarHBondContact N-SG 2.96Å; Y257-C289 HydrophobicContact CD1-CB 4.01Å; Y257-C289 HydrophobicContact CD2-CB 3.44Å; Y257-C289 VanDerWaalsContact CD2-CB 3.44Å; Y257-C289 HydrophobicContact CE2-CB 4.04Å; Y257-C289 VanDerWaalsContact CE2-O 3.3Å; Y257-C289 WeakPolarHBondContact CE2-O 3.44Å; Y257-C289 HydrophobicContact CG-CB 3.42Å; Y257-C289 VanDerWaalsContact CG-CB 3.42Å; Y257-V292 HydrophobicContact CE1-CB 4.25Å; Y257-V292 VanDerWaalsContact CE1-O 3.29Å; Y257-V292 WeakPolarHBondContact CE1-O 3.33Å; Y257-V292 PolarHBondContact OH-O 3.22Å |
| 258 | N | 93.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 98.6 | 173.1 | -178.4 | -12.6 | 0 | 0 | 0 | 108.5 | A260 S261 E262 R263 E265 | N258-A260 PolarHBondContact O-N 2.81Å; N258-A260 WeakPolarHBondContact OD1-CB 3.09Å; N258-A260 PolarHBondContact OD1-N 3.46Å; N258-S261 WeakPolarHBondContact CB-OG 3.42Å; N258-S261 VanDerWaalsContact CG-OG 3.3Å; N258-S261 PolarHBondContact ND2-OG 3.04Å; N258-S261 PolarHBondContact O-N 2.98Å; N258-S261 VanDerWaalsContact O-N 3.08Å; N258-S261 PolarHBondContact O-OG 2.99Å; N258-S261 PolarHBondContact OD1-N 3.43Å; N258-E262 WeakPolarHBondContact O-CA 3.38Å; N258-E262 PolarHBondContact O-N 3.15Å; N258-R263 PolarHBondContact N-O 3.15Å; N258-R263 PolarHBondContact O-N 3.29Å; N258-E265 HydrophobicContact CB-CG 4.27Å; N258-E265 PolarHBondContact ND2-OE1 2.91Å; N258-E265 VanDerWaalsContact ND2-OE1 3.1Å; N258-E265 PolarHBondContact ND2-OE2 3.33Å |
| 259 | A | 88.2 | Confident | 94.6 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y257 V294 | Y257-A259 HydrophobicContact CD1-CB 4.28Å; Y257-A259 HydrophobicContact CE1-CB 4.14Å; A259-V294 HydrophobicContact CB-CG2 3.89Å; A259-V294 WeakPolarHBondContact O-CG2 3.43Å |
| 260 | A | 88 | Confident | 94.7 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 79% | 0.793 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -25.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | N258 | N258-A260 PolarHBondContact O-N 2.81Å; N258-A260 WeakPolarHBondContact OD1-CB 3.09Å; N258-A260 PolarHBondContact OD1-N 3.46Å |
| 261 | S | 90.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -5.7 | 173.4 | 65 | 0 | 0 | 0 | 0 | 113.3 | N258 R263 E265 | N258-S261 WeakPolarHBondContact CB-OG 3.42Å; N258-S261 VanDerWaalsContact CG-OG 3.3Å; N258-S261 PolarHBondContact ND2-OG 3.04Å; N258-S261 PolarHBondContact O-N 2.98Å; N258-S261 VanDerWaalsContact O-N 3.08Å; N258-S261 PolarHBondContact O-OG 2.99Å; N258-S261 PolarHBondContact OD1-N 3.43Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 WeakPolarHBondContact O-CG 3.14Å; S261-R263 PolarHBondContact O-N 3.04Å; S261-E265 WeakPolarHBondContact CB-OE1 3.42Å; S261-E265 PolarHBondContact OG-OE1 3.11Å |
| 262 | E | 91.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 44.8 Ų | 44.8 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.6 | -175.6 | -60.8 | -177.4 | 156.5 | 0 | 0 | 112.5 | Y257 N258 S293 | Y257-E262 WeakPolarHBondContact OH-CA 3.21Å; N258-E262 WeakPolarHBondContact O-CA 3.38Å; N258-E262 PolarHBondContact O-N 3.15Å; E262-S293 VanDerWaalsContact OE1-CB 3.25Å; E262-S293 WeakPolarHBondContact OE1-CB 3.38Å |
| 263 | R | 93.2 | Very high | 94.5 | Very high | 177 Ų | 177 | 46.1 Ų | 46.1 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.7 | -172.7 | -70.7 | 171 | -166.2 | -145.2 | -3.2 | 112.8 | N258 S261 | N258-R263 PolarHBondContact N-O 3.15Å; N258-R263 PolarHBondContact O-N 3.29Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 WeakPolarHBondContact O-CG 3.14Å; S261-R263 PolarHBondContact O-N 3.04Å |
| 264 | C | 96.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 45 Ų | 45 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.5 | 163 | -69.4 | 0 | 0 | 0 | 0 | 110.5 | W255 H256 L282 C285 A286 | W255-C264 HydrophobicContact CE3-CB 4.1Å; H256-C264 CarbonylContact O-C 3.49Å; H256-C264 WeakPolarHBondContact O-CA 3.42Å; C264-L282 HydrophobicContact CB-CD1 3.48Å; C264-L282 VanDerWaalsContact CB-CD1 3.48Å; C264-C285 HydrophobicContact CB-CB 3.85Å; C264-C285 WeakPolarHBondContact CB-SG 3.27Å; C264-C285 WeakPolarHBondContact SG-CB 3.3Å; C264-C285 CovalentContact SG-SG 2.03Å; C264-C285 PolarHBondContact SG-SG 3.23Å; C264-A286 PolarHBondContact SG-N 2.87Å; C264-A286 VanDerWaalsContact SG-N 3.39Å |
| 265 | E | 97.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.3 | -178.4 | -69.5 | 175.3 | -174.5 | 0 | 0 | 110.1 | W255 H256 N258 S261 | W255-E265 WeakPolarHBondContact CA-O 3.25Å; H256-E265 PolarHBondContact CD2-O 2.81Å; H256-E265 VanDerWaalsContact CD2-O 3.28Å; H256-E265 PolarHBondContact N-O 3.41Å; H256-E265 PolarHBondContact O-N 3.22Å; N258-E265 HydrophobicContact CB-CG 4.27Å; N258-E265 PolarHBondContact ND2-OE1 2.91Å; N258-E265 VanDerWaalsContact ND2-OE1 3.1Å; N258-E265 PolarHBondContact ND2-OE2 3.33Å; S261-E265 WeakPolarHBondContact CB-OE1 3.42Å; S261-E265 PolarHBondContact OG-OE1 3.11Å |
| 266 | E | 97.6 | Very high | 94 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 144 | 175.5 | -168 | -179.5 | 171.4 | 0 | 0 | 111 | P253 R254 W255 | P253-E266 VanDerWaalsContact CB-OE1 3.29Å; P253-E266 WeakPolarHBondContact CB-OE1 3.31Å; R254-E266 CarbonylContact O-C 3.01Å; R254-E266 WeakPolarHBondContact O-CA 3.41Å; W255-E266 HydrophobicContact CH2-CB 4.4Å; W255-E266 HydrophobicContact CZ2-CB 4.39Å; W255-E266 HydrophobicContact CZ3-CB 4.45Å |
| 267 | F | 97.2 | Very high | 94 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 162.6 | 171.6 | 80.5 | -71.5 | 0 | 0 | 0 | 111.5 | K243 K244 R254 H256 F269 | K243-F267 HydrophobicContact CB-CD1 4.37Å; K243-F267 HydrophobicContact CB-CD2 4.03Å; K243-F267 HydrophobicContact CB-CE1 4.47Å; K243-F267 HydrophobicContact CB-CE2 4.14Å; K243-F267 HydrophobicContact CB-CG 4.15Å; K243-F267 HydrophobicContact CB-CZ 4.35Å; K243-F267 HydrophobicContact CD-CB 3.66Å; K243-F267 HydrophobicContact CD-CD2 4.06Å; K243-F267 HydrophobicContact CD-CG 3.91Å; K244-F267 WeakPolarHBondContact O-CE2 3.39Å; R254-F267 HydrophobicContact CB-CD1 4.06Å; R254-F267 HydrophobicContact CB-CE1 3.55Å; R254-F267 HydrophobicContact CB-CZ 3.99Å; R254-F267 PolarHBondContact N-O 3.16Å; R254-F267 VanDerWaalsContact O-CD1 3.32Å; R254-F267 WeakPolarHBondContact O-CD1 3.43Å; R254-F267 PolarHBondContact O-N 2.92Å; H256-F267 HydrophobicContact CB-CD1 3.97Å; H256-F267 HydrophobicContact CB-CE1 3.81Å; H256-F267 AromaticContact CD2-CD1 3.62Å; F267-F269 HydrophobicContact CE2-CB 4.05Å; F267-F269 HydrophobicContact CZ-CB 4.25Å |
| 268 | L | 97.3 | Very high | 93.9 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.1 | 172.9 | -62.5 | 177.4 | 0 | 0 | 0 | 109.9 | ||
| 269 | F | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.3 | 169.8 | 174.7 | -124.9 | 0 | 0 | 0 | 110.5 | V245 F252 R254 F267 C272 E274 N278 | V245-F269 WeakPolarHBondContact O-CD2 3.44Å; F252-F269 WeakPolarHBondContact CD2-O 3.36Å; F252-F269 PolarHBondContact N-O 2.99Å; F252-F269 PolarHBondContact O-N 3.23Å; R254-F269 HydrophobicContact CB-CB 4.21Å; R254-F269 HydrophobicContact CG-CB 3.52Å; R254-F269 HydrophobicContact CG-CD1 4.28Å; R254-F269 HydrophobicContact CG-CG 4.23Å; F267-F269 HydrophobicContact CE2-CB 4.05Å; F267-F269 HydrophobicContact CZ-CB 4.25Å; F269-C272 WeakPolarHBondContact CE2-O 3.45Å; F269-E274 HydrophobicContact CE2-CB 3.83Å; F269-E274 HydrophobicContact CZ-CB 3.69Å; F269-N278 WeakPolarHBondContact CD2-ND2 3.32Å |
| 270 | G | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -78.3 | -15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V245 C248 G250 F355 | V245-G270 VanDerWaalsContact O-CA 3.3Å; V245-G270 WeakPolarHBondContact O-CA 3.36Å; V245-G270 PolarHBondContact O-N 3.37Å; C248-G270 CarbonylContact C-O 3.58Å; C248-G270 WeakPolarHBondContact CB-O 3.49Å; C248-G270 WeakPolarHBondContact O-CA 3.03Å; G250-G270 VanDerWaalsContact CA-O 3.31Å; G250-G270 WeakPolarHBondContact CA-O 3.37Å; G250-G270 PolarHBondContact N-O 2.82Å; G270-F355 WeakPolarHBondContact O-CE1 3.37Å | ||
| 271 | G | 92.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 103.9 | -0.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 272 | C | 93 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -153.9 | 157.6 | 174.4 | 74 | 0 | 0 | 0 | 0 | 111.7 | F57 C248 F269 L351 | F57-C272 HydrophobicContact CB-CB 4.47Å; F57-C272 HydrophobicContact CD1-CB 4.43Å; C248-C272 HydrophobicContact CB-CB 4.01Å; C248-C272 WeakPolarHBondContact CB-SG 3.36Å; C248-C272 WeakPolarHBondContact SG-CB 3.49Å; C248-C272 CovalentContact SG-SG 2.03Å; C248-C272 PolarHBondContact SG-SG 2.96Å; F269-C272 WeakPolarHBondContact CE2-O 3.45Å; C272-L351 HydrophobicContact CB-CD2 4.23Å; C272-L351 WeakPolarHBondContact SG-CD2 3.4Å |
| 273 | R | 92.3 | Very high | 94.7 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 55.6 | 50.3 | 179.5 | -50.5 | -57.2 | -177.6 | 169 | 9.4 | 113.1 | K244 P247 E332 C333 L351 | K244-R273 WeakPolarHBondContact CD-O 3.29Å; K244-R273 WeakPolarHBondContact CE-O 3.41Å; P247-R273 HydrophobicContact CG-CB 4.5Å; P247-R273 HydrophobicContact CG-CG 4.17Å; R273-E332 IonicContact CZ-OE1 3.64Å; R273-E332 IonicContact CZ-OE2 3.57Å; R273-E332 IonicContact NE-OE1 3.89Å; R273-E332 PolarHBondContact NE-OE1 2.78Å; R273-E332 IonicContact NE-OE2 2.91Å; R273-E332 IonicContact NH1-OE1 3.51Å; R273-E332 PolarHBondContact NH1-OE1 2.9Å; R273-E332 IonicContact NH1-OE2 3.77Å; R273-E332 PolarHBondContact NH1-OE2 2.87Å; R273-E332 IonicContact NH2-OE1 2.68Å; R273-E332 PolarHBondContact NH2-OE1 2.94Å; R273-E332 IonicContact NH2-OE2 2.69Å; R273-E332 PolarHBondContact NH2-OE2 3.09Å; R273-C333 HydrophobicContact CG-CB 4.48Å; R273-L351 HydrophobicContact CG-CD2 3.52Å; R273-L351 VanDerWaalsContact NE-CD2 3.35Å |
| 274 | E | 93.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | trans | -59.4 | 152 | 166.4 | 69.9 | -72.9 | 179 | 0 | 0 | 112.2 | T56 K78 F269 N278 | T56-E274 WeakPolarHBondContact CG2-OE2 3.03Å; T56-E274 PolarHBondContact OG1-OE1 2.93Å; T56-E274 PolarHBondContact OG1-OE2 3.29Å; K78-E274 IonicContact NZ-OE1 2.67Å; F269-E274 HydrophobicContact CE2-CB 3.83Å; F269-E274 HydrophobicContact CZ-CB 3.69Å; E274-N278 HydrophobicContact CB-CB 4.36Å | ||
| 275 | N | 93.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | trans | -99.3 | 176.6 | 157.1 | 63.9 | -1.2 | 0 | 0 | 0 | 109.8 | V241 P242 K244 N277 N278 | V241-N275 WeakPolarHBondContact CG2-ND2 3.31Å; P242-N275 PolarHBondContact O-ND2 3.41Å; K244-N275 HydrophobicContact CB-CB 4.22Å; K244-N275 HydrophobicContact CD-CB 4.26Å; N275-N277 VanDerWaalsContact C-N 3.25Å; N275-N277 PolarHBondContact O-N 2.65Å; N275-N278 WeakPolarHBondContact O-CB 3.47Å | ||
| 276 | L | 93.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 35 Ų | 35 | 45% | 0.445 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -73 | -14 | -173.8 | -61.3 | 177.1 | 0 | 0 | 0 | 114.1 | N237 H238 N278 Y279 | N237-L276 HydrophobicContact CB-CD1 4.18Å; N237-L276 WeakPolarHBondContact O-CB 3.43Å; H238-L276 PolarHBondContact ND1-O 2.86Å; L276-N278 PolarHBondContact O-N 3.43Å; L276-N278 VanDerWaalsContact O-N 3.14Å; L276-Y279 PolarHBondContact O-OH 3.09Å |
| 277 | N | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -86.3 | 57.4 | 171.7 | -167.4 | 4.7 | 0 | 0 | 0 | 111.4 | H238 C239 V241 H256 Y257 N275 | H238-N277 WeakPolarHBondContact O-CA 3.23Å; H238-N277 WeakPolarHBondContact O-CB 3.24Å; H238-N277 PolarHBondContact O-OD1 3.14Å; C239-N277 PolarHBondContact O-ND2 3.19Å; V241-N277 HydrophobicContact CG2-CB 3.58Å; V241-N277 PolarHBondContact O-ND2 2.61Å; H256-N277 WeakPolarHBondContact CA-OD1 3.02Å; H256-N277 WeakPolarHBondContact CB-O 3.39Å; Y257-N277 PolarHBondContact N-OD1 2.83Å; Y257-N277 PolarHBondContact O-ND2 2.94Å; N275-N277 VanDerWaalsContact C-N 3.25Å; N275-N277 PolarHBondContact O-N 2.65Å |
| 278 | N | 96.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | trans | -147.2 | 108 | -177.1 | -174.3 | -28 | 0 | 0 | 0 | 110.2 | R254 F269 E274 N275 L276 | R254-N278 WeakPolarHBondContact CB-OD1 3.08Å; R254-N278 VanDerWaalsContact CD-OD1 3.31Å; R254-N278 WeakPolarHBondContact CD-OD1 3.48Å; R254-N278 VanDerWaalsContact CG-OD1 3.23Å; R254-N278 WeakPolarHBondContact CG-OD1 3.29Å; R254-N278 PolarHBondContact NH1-OD1 3.24Å; F269-N278 WeakPolarHBondContact CD2-ND2 3.32Å; E274-N278 HydrophobicContact CB-CB 4.36Å; N275-N278 WeakPolarHBondContact O-CB 3.47Å; L276-N278 PolarHBondContact O-N 3.43Å; L276-N278 VanDerWaalsContact O-N 3.14Å | ||
| 279 | Y | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -121 | 144.9 | -171.8 | -55.8 | -82 | 0 | 0 | 0 | 110.8 | H238 W255 L276 E284 C285 A288 | H238-Y279 PolarHBondContact ND1-OH 2.83Å; H238-Y279 PolarHBondContact O-OH 3.37Å; W255-Y279 PolarHBondContact N-O 3.45Å; W255-Y279 PolarHBondContact O-N 2.92Å; L276-Y279 PolarHBondContact O-OH 3.09Å; Y279-E284 HydrophobicContact CD1-CB 4.11Å; Y279-E284 HydrophobicContact CG-CB 4.5Å; Y279-C285 HydrophobicContact CD2-CB 3.6Å; Y279-C285 HydrophobicContact CE2-CB 4.32Å; Y279-C285 HydrophobicContact CG-CB 3.84Å; Y279-A288 HydrophobicContact CD1-CB 4.45Å; Y279-A288 HydrophobicContact CE1-CB 3.54Å; Y279-A288 WeakPolarHBondContact OH-CB 3.36Å |
| 280 | L | 93.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 24% | 0.236 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -71.9 | -33.6 | 176.1 | -73.6 | 179.1 | 0 | 0 | 0 | 112.6 | K52 Y53 Y103 | K52-L280 WeakPolarHBondContact O-CD2 3.28Å; Y53-L280 VanDerWaalsContact O-CD1 3.23Å; Y53-L280 WeakPolarHBondContact O-CD1 3.46Å; Y103-L280 HydrophobicContact CD1-CD1 3.37Å; Y103-L280 HydrophobicContact CD1-CG 4.18Å; Y103-L280 HydrophobicContact CD2-CD1 4.31Å; Y103-L280 HydrophobicContact CE1-CB 4.23Å; Y103-L280 HydrophobicContact CE1-CD1 3.3Å; Y103-L280 HydrophobicContact CE1-CG 3.64Å; Y103-L280 HydrophobicContact CE2-CD1 4.28Å; Y103-L280 HydrophobicContact CE2-CG 4.15Å; Y103-L280 HydrophobicContact CG-CD1 3.89Å; Y103-L280 PolarHBondContact OH-N 3.17Å |
| 281 | S | 92.7 | Very high | 93 | Very high | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -128.2 | 153.9 | -175.8 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | W255 Q283 E284 C285 | W255-S281 VanDerWaalsContact CD1-C 3.46Å; S281-Q283 PolarHBondContact O-N 2.94Å; S281-E284 WeakPolarHBondContact CB-OE1 3.3Å; S281-E284 PolarHBondContact N-OE1 2.86Å; S281-E284 PolarHBondContact O-N 3.4Å; S281-E284 VanDerWaalsContact OG-CD 3.3Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.49Å; S281-E284 PolarHBondContact OG-N 3.35Å; S281-E284 PolarHBondContact OG-OE1 3.3Å; S281-C285 PolarHBondContact O-N 2.94Å; S281-C285 VanDerWaalsContact O-N 3.16Å |
| 282 | L | 93.5 | Very high | 92.6 | Very high | 86 Ų | 86 | 33.4 Ų | 33.4 | 45% | 0.45 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.5 | -40.8 | 171.2 | 171.6 | 58.1 | 0 | 0 | 0 | 111.5 | W255 C264 E284 C285 A286 | W255-L282 HydrophobicContact CD2-CB 3.88Å; W255-L282 HydrophobicContact CD2-CD1 4.44Å; W255-L282 HydrophobicContact CE3-CB 4.09Å; W255-L282 HydrophobicContact CE3-CD1 3.81Å; W255-L282 HydrophobicContact CE3-CG 4.49Å; W255-L282 HydrophobicContact CG-CB 4.46Å; W255-L282 HydrophobicContact CH2-CB 4.17Å; W255-L282 HydrophobicContact CH2-CD1 4.35Å; W255-L282 HydrophobicContact CH2-CD2 4.26Å; W255-L282 HydrophobicContact CH2-CG 4.49Å; W255-L282 HydrophobicContact CZ2-CB 3.97Å; W255-L282 HydrophobicContact CZ3-CB 4.23Å; W255-L282 HydrophobicContact CZ3-CD1 3.76Å; W255-L282 HydrophobicContact CZ3-CD2 4.45Å; W255-L282 HydrophobicContact CZ3-CG 4.36Å; C264-L282 HydrophobicContact CB-CD1 3.48Å; C264-L282 VanDerWaalsContact CB-CD1 3.48Å; L282-E284 PolarHBondContact O-N 2.91Å; L282-C285 PolarHBondContact O-N 2.93Å; L282-A286 WeakPolarHBondContact O-CB 3.4Å; L282-A286 PolarHBondContact O-N 2.93Å |
| 283 | Q | 90.9 | Very high | 91.9 | Very high | 113 Ų | 113 | 35 Ų | 35 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -40.8 | -179.5 | -168.7 | 68.5 | 54.5 | 0 | 0 | 111.8 | S281 A286 N287 | S281-Q283 PolarHBondContact O-N 2.94Å; Q283-A286 PolarHBondContact O-N 3.35Å; Q283-N287 PolarHBondContact NE2-OD1 3.28Å; Q283-N287 WeakPolarHBondContact O-CB 3.46Å; Q283-N287 PolarHBondContact O-N 3.49Å; Q283-N287 PolarHBondContact O-OD1 3.25Å |
| 284 | E | 93.5 | Very high | 90.6 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 176.6 | -73.4 | 162 | -106.3 | 0 | 0 | 112.5 | Y103 K104 Y279 S281 L282 A288 | Y103-E284 WeakPolarHBondContact CE1-OE2 3.25Å; Y103-E284 PolarHBondContact OH-OE2 2.89Å; K104-E284 IonicContact NZ-OE2 3.46Å; K104-E284 PolarHBondContact NZ-OE2 2.87Å; Y279-E284 HydrophobicContact CD1-CB 4.11Å; Y279-E284 HydrophobicContact CG-CB 4.5Å; S281-E284 WeakPolarHBondContact CB-OE1 3.3Å; S281-E284 PolarHBondContact N-OE1 2.86Å; S281-E284 PolarHBondContact O-N 3.4Å; S281-E284 VanDerWaalsContact OG-CD 3.3Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.49Å; S281-E284 PolarHBondContact OG-N 3.35Å; S281-E284 PolarHBondContact OG-OE1 3.3Å; L282-E284 PolarHBondContact O-N 2.91Å; E284-A288 WeakPolarHBondContact O-CB 3.36Å; E284-A288 PolarHBondContact O-N 3.42Å |
| 285 | C | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 174.4 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | W255 H256 Y257 C264 Y279 S281 L282 A288 C289 | W255-C285 HydrophobicContact CB-CB 3.99Å; H256-C285 VanDerWaalsContact C-SG 3.52Å; Y257-C285 PolarHBondContact N-SG 2.96Å; C264-C285 HydrophobicContact CB-CB 3.85Å; C264-C285 WeakPolarHBondContact CB-SG 3.27Å; C264-C285 WeakPolarHBondContact SG-CB 3.3Å; C264-C285 CovalentContact SG-SG 2.03Å; C264-C285 PolarHBondContact SG-SG 3.23Å; Y279-C285 HydrophobicContact CD2-CB 3.6Å; Y279-C285 HydrophobicContact CE2-CB 4.32Å; Y279-C285 HydrophobicContact CG-CB 3.84Å; S281-C285 PolarHBondContact O-N 2.94Å; S281-C285 VanDerWaalsContact O-N 3.16Å; L282-C285 PolarHBondContact O-N 2.93Å; C285-A288 PolarHBondContact O-N 3.04Å; C285-C289 WeakPolarHBondContact O-CB 3.3Å; C285-C289 PolarHBondContact O-N 2.99Å |
| 286 | A | 93.6 | Very high | 86.8 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -53.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C264 L282 Q283 A288 C289 D290 | C264-A286 PolarHBondContact SG-N 2.87Å; C264-A286 VanDerWaalsContact SG-N 3.39Å; L282-A286 WeakPolarHBondContact O-CB 3.4Å; L282-A286 PolarHBondContact O-N 2.93Å; Q283-A286 PolarHBondContact O-N 3.35Å; A286-A288 PolarHBondContact O-N 3.04Å; A286-C289 PolarHBondContact O-N 3.14Å; A286-C289 VanDerWaalsContact O-N 3.15Å; A286-D290 VanDerWaalsContact O-CB 3.22Å; A286-D290 WeakPolarHBondContact O-CB 3.33Å; A286-D290 PolarHBondContact O-N 3.04Å |
| 287 | N | 92.5 | Very high | 84.6 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.1 | -42.1 | 176.3 | -67.6 | 24.7 | 0 | 0 | 0 | 111.8 | V153 Q154 E157 Q283 C289 | V153-N287 CarbonylContact C-O 3.57Å; V153-N287 VanDerWaalsContact CA-O 3.25Å; V153-N287 WeakPolarHBondContact CA-O 3.41Å; V153-N287 HydrophobicContact CG1-CB 4.24Å; Q154-N287 PolarHBondContact N-O 2.79Å; E157-N287 WeakPolarHBondContact OE2-CA 3.5Å; Q283-N287 PolarHBondContact NE2-OD1 3.28Å; Q283-N287 WeakPolarHBondContact O-CB 3.46Å; Q283-N287 PolarHBondContact O-N 3.49Å; Q283-N287 PolarHBondContact O-OD1 3.25Å; N287-C289 PolarHBondContact O-N 2.91Å |
| 288 | A | 94.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.1 | -25.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V152 Q154 L230 C239 Y279 E284 C285 A286 | V152-A288 HydrophobicContact CB-CB 4.33Å; V152-A288 HydrophobicContact CG1-CB 4.1Å; V152-A288 WeakPolarHBondContact O-CA 3.17Å; V152-A288 PolarHBondContact O-N 3.27Å; Q154-A288 WeakPolarHBondContact CG-O 3.42Å; Q154-A288 PolarHBondContact NE2-O 2.93Å; L230-A288 VanDerWaalsContact CD1-O 3.29Å; L230-A288 WeakPolarHBondContact CD1-O 3.3Å; C239-A288 PolarHBondContact SG-O 2.82Å; Y279-A288 HydrophobicContact CD1-CB 4.45Å; Y279-A288 HydrophobicContact CE1-CB 3.54Å; Y279-A288 WeakPolarHBondContact OH-CB 3.36Å; E284-A288 WeakPolarHBondContact O-CB 3.36Å; E284-A288 PolarHBondContact O-N 3.42Å; C285-A288 PolarHBondContact O-N 3.04Å; A286-A288 PolarHBondContact O-N 3.04Å |
| 289 | C | 94.1 | Very high | 80 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -142.8 | -2.2 | -164.2 | -61.3 | 0 | 0 | 0 | 0 | 116.9 | H238 C239 Y257 C285 A286 N287 V292 | H238-C289 PolarHBondContact O-SG 2.03Å; C239-C289 VanDerWaalsContact CA-SG 3.51Å; C239-C289 HydrophobicContact CB-CB 3.72Å; C239-C289 WeakPolarHBondContact CB-SG 3Å; C239-C289 WeakPolarHBondContact SG-CA 3.37Å; C239-C289 WeakPolarHBondContact SG-CB 3.31Å; C239-C289 CovalentContact SG-SG 2.03Å; C239-C289 PolarHBondContact SG-SG 2.02Å; Y257-C289 HydrophobicContact CD1-CB 4.01Å; Y257-C289 HydrophobicContact CD2-CB 3.44Å; Y257-C289 VanDerWaalsContact CD2-CB 3.44Å; Y257-C289 HydrophobicContact CE2-CB 4.04Å; Y257-C289 VanDerWaalsContact CE2-O 3.3Å; Y257-C289 WeakPolarHBondContact CE2-O 3.44Å; Y257-C289 HydrophobicContact CG-CB 3.42Å; Y257-C289 VanDerWaalsContact CG-CB 3.42Å; C285-C289 WeakPolarHBondContact O-CB 3.3Å; C285-C289 PolarHBondContact O-N 2.99Å; A286-C289 PolarHBondContact O-N 3.14Å; A286-C289 VanDerWaalsContact O-N 3.15Å; N287-C289 PolarHBondContact O-N 2.91Å; C289-V292 VanDerWaalsContact O-CB 3.3Å; C289-V292 WeakPolarHBondContact O-CB 3.48Å; C289-V292 VanDerWaalsContact O-CG2 3.31Å; C289-V292 WeakPolarHBondContact O-CG2 3Å; C289-V292 PolarHBondContact O-N 3.02Å; C289-V292 VanDerWaalsContact O-N 3.17Å |
| 290 | D | 88.7 | Confident | 77.2 | Confident | 113 Ų | 113 | 75 Ų | 75 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 143.1 | 178.2 | -165.7 | 18.3 | 0 | 0 | 0 | 111.2 | A286 V292 | A286-D290 VanDerWaalsContact O-CB 3.22Å; A286-D290 WeakPolarHBondContact O-CB 3.33Å; A286-D290 PolarHBondContact O-N 3.04Å; D290-V292 PolarHBondContact O-N 3.49Å |
| 291 | G | 83.1 | Confident | 75.1 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S293 | G291-S293 PolarHBondContact O-N 3.08Å; G291-S293 VanDerWaalsContact O-N 3.1Å |
| 292 | V | 85.3 | Confident | 73 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 6% | 0.055 | 45% | 0.453 | C | S | . | . | trans | -77.7 | 94.2 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | Q154 C239 M240 Y257 C289 D290 | Q154-V292 HydrophobicContact CG-CG2 3.8Å; Q154-V292 VanDerWaalsContact NE2-CG2 3.34Å; C239-V292 HydrophobicContact CB-CB 4.5Å; C239-V292 HydrophobicContact CB-CG1 4.15Å; M240-V292 HydrophobicContact CE-CG1 3.54Å; M240-V292 HydrophobicContact CG-CG1 4.41Å; Y257-V292 HydrophobicContact CE1-CB 4.25Å; Y257-V292 VanDerWaalsContact CE1-O 3.29Å; Y257-V292 WeakPolarHBondContact CE1-O 3.33Å; Y257-V292 PolarHBondContact OH-O 3.22Å; C289-V292 VanDerWaalsContact O-CB 3.3Å; C289-V292 WeakPolarHBondContact O-CB 3.48Å; C289-V292 VanDerWaalsContact O-CG2 3.31Å; C289-V292 WeakPolarHBondContact O-CG2 3Å; C289-V292 PolarHBondContact O-N 3.02Å; C289-V292 VanDerWaalsContact O-N 3.17Å; D290-V292 PolarHBondContact O-N 3.49Å | ||
| 293 | S | 76.6 | Confident | 71.2 | Confident | 32 Ų | 32 | 81.4 Ų | 81.4 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | trans | -91.6 | 153.9 | 172.2 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | E262 G291 I295 | E262-S293 VanDerWaalsContact OE1-CB 3.25Å; E262-S293 WeakPolarHBondContact OE1-CB 3.38Å; G291-S293 PolarHBondContact O-N 3.08Å; G291-S293 VanDerWaalsContact O-N 3.1Å; S293-I295 PolarHBondContact O-N 2.85Å; S293-I295 VanDerWaalsContact O-N 3.09Å | ||
| 294 | V | 65.2 | Low | 69.7 | Low | 99 Ų | 99 | 81.4 Ų | 81.4 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -62.5 | -14.1 | 172.3 | -174 | 0 | 0 | 0 | 0 | 111.9 | A259 H296 | A259-V294 HydrophobicContact CB-CG2 3.89Å; A259-V294 WeakPolarHBondContact O-CG2 3.43Å; V294-H296 VanDerWaalsContact C-N 3.29Å; V294-H296 PolarHBondContact O-N 2.91Å; V294-H296 VanDerWaalsContact O-N 3.14Å |
| 295 | I | 55.2 | Low | 68.4 | Low | 130 Ų | 130 | 83 Ų | 83 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | trans | -91.3 | 46.2 | -171.5 | -38.8 | -176.2 | 0 | 0 | 0 | 112.2 | S293 R297 | S293-I295 PolarHBondContact O-N 2.85Å; S293-I295 VanDerWaalsContact O-N 3.09Å; I295-R297 PolarHBondContact O-N 2.94Å | ||
| 296 | H | 51.6 | Low | 67.4 | Low | 147 Ų | 147 | 86.7 Ų | 86.7 | 68% | 0.681 | 51% | 0.51 | S | S | * | . | trans | -76.4 | 105.9 | 163.2 | -98.8 | -70.3 | 0 | 0 | 0 | 111 | V294 G298 | V294-H296 VanDerWaalsContact C-N 3.29Å; V294-H296 PolarHBondContact O-N 2.91Å; V294-H296 VanDerWaalsContact O-N 3.14Å; H296-G298 PolarHBondContact O-N 3.49Å | ||
| 297 | R | 47.4 | Very low | 66.6 | Low | 244 Ų | 244 | 95 Ų | 95 | 92% | 0.921 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 111.2 | -174.7 | -57.3 | 173.6 | -180 | -174.2 | -1.1 | 111.9 | I295 | I295-R297 PolarHBondContact O-N 2.94Š|
| 298 | G | 47.8 | Very low | 66.4 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 74% | 0.742 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 162.5 | -34.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | H296 T300 | H296-G298 PolarHBondContact O-N 3.49Å; G298-T300 PolarHBondContact O-N 2.88Å |
| 299 | R | 47.4 | Very low | 66.2 | Low | 188 Ų | 188 | 99.7 Ų | 99.7 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | trans | -94.2 | 87.2 | -179.8 | -78.7 | -180 | 171.4 | 164.1 | -4.9 | 111.5 | E236 G301 | E236-R299 IonicContact OE1-NH1 3.51Å; R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 2.97Å; R299-G301 VanDerWaalsContact O-N 3.08Å | ||
| 300 | T | 38.6 | Very low | 66 | Low | 151 Ų | 151 | 103.2 Ų | 103.2 | 93% | 0.926 | 59% | 0.586 | S | S | * | * | trans | -78.4 | 80.8 | 165.6 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | G298 | G298-T300 PolarHBondContact O-N 2.88Š| ||
| 301 | G | 49.8 | Very low | 65.9 | Low | 47 Ų | 47 | 101.7 Ų | 101.7 | 49% | 0.485 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 176.8 | 153.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R299 L303 | R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 2.97Å; R299-G301 VanDerWaalsContact O-N 3.08Å; G301-L303 PolarHBondContact O-N 3.13Å |
| 302 | P | 49.2 | Very low | 66.1 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 84% | 0.838 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.7 | 167.3 | -19.9 | 32 | 0 | 0 | 0 | 108.9 | ||
| 303 | L | 55.1 | Low | 66.2 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 133.1 | 164.4 | -75.7 | 163.4 | 0 | 0 | 0 | 107.3 | G301 A305 | G301-L303 PolarHBondContact O-N 3.13Å; L303-A305 PolarHBondContact O-N 3.17Å |
| 304 | P | 59 | Low | 66.6 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.7 | 173.3 | 25.7 | -32.4 | 0 | 0 | 0 | 107.6 | ||
| 305 | A | 66.2 | Low | 67.5 | Low | 65 Ų | 65 | 105.7 Ų | 105.7 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 136 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L303 R307 | L303-A305 PolarHBondContact O-N 3.17Å; A305-R307 PolarHBondContact O-N 3.49Å |
| 306 | P | 74.3 | Confident | 68.6 | Low | 78 Ų | 78 | 103.6 Ų | 103.6 | 51% | 0.506 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 140.1 | -179.8 | 25.4 | -33.8 | 0 | 0 | 0 | 109.8 | L331 | P306-L331 HydrophobicContact CB-CD1 3.74Å; P306-L331 HydrophobicContact CG-CD1 4.02Å; P306-L331 HydrophobicContact CG-CD2 4.23Å |
| 307 | R | 78.1 | Confident | 69.8 | Low | 199 Ų | 199 | 98.7 Ų | 98.7 | 75% | 0.751 | 61% | 0.605 | S | S | * | * | trans | -141.8 | 154.1 | -175 | -74.6 | 176.2 | -175.5 | -165 | -2 | 109.9 | A305 | A305-R307 PolarHBondContact O-N 3.49Š| ||
| 308 | E | 87.1 | Confident | 71.7 | Confident | 30 Ų | 30 | 90.6 Ų | 90.6 | 14% | 0.14 | 58% | 0.578 | C | S | . | * | trans | -56.7 | 144.8 | 171.5 | 71.4 | -172 | 165.3 | 0 | 0 | 112.2 | C321 N323 C325 C326 C339 S340 | E308-C321 PolarHBondContact OE2-SG 3.14Å; E308-N323 PolarHBondContact OE2-ND2 3.1Å; E308-C325 HydrophobicContact CB-CB 3.84Å; E308-C325 HydrophobicContact CG-CB 3.88Å; E308-C325 WeakPolarHBondContact OE2-CB 3.3Å; E308-C326 CarbonylContact C-O 3.4Å; E308-C326 WeakPolarHBondContact CA-O 3.23Å; E308-C339 WeakPolarHBondContact OE2-CA 3.46Å; E308-S340 VanDerWaalsContact CD-N 3.34Å; E308-S340 WeakPolarHBondContact OE1-CB 3.43Å; E308-S340 PolarHBondContact OE1-N 3.23Å; E308-S340 PolarHBondContact OE1-OG 2.85Å; E308-S340 PolarHBondContact OE2-N 2.97Å | ||
| 309 | V | 89.7 | Confident | 73.6 | Confident | 79 Ų | 79 | 88.7 Ų | 88.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | B | Isolated β-bridge | trans | -113.2 | 112.5 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V312 C326 | V309-V312 HydrophobicContact CG1-CG2 4.07Å; V309-C326 PolarHBondContact N-O 3.34Å; V309-C326 PolarHBondContact O-N 2.9Å |
| 310 | C | 91.3 | Very high | 75.7 | Confident | 74 Ų | 74 | 83 Ų | 83 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | trans | -95.9 | 154.6 | -176.2 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | C325 | C310-C325 HydrophobicContact CB-CB 3.97Å; C310-C325 WeakPolarHBondContact CB-SG 3.04Å; C310-C325 WeakPolarHBondContact SG-CB 3.1Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.28Å | ||
| 311 | G | 85.5 | Confident | 78.1 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 84% | 0.835 | 50% | 0.495 | S | S | * | . | S | Bend | trans | 85.6 | 8.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 312 | V | 87.6 | Confident | 80.1 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -123.5 | 149.1 | 170.3 | -65.7 | 0 | 0 | 0 | 0 | 109.4 | V309 C326 | V309-V312 HydrophobicContact CG1-CG2 4.07Å; V312-C326 PolarHBondContact O-SG 2.85Å; V312-C326 VanDerWaalsContact O-SG 3.35Å |
| 313 | P | 86.9 | Confident | 82 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 83% | 0.825 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 135.7 | 171.7 | 30 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 314 | C | 86.6 | Confident | 83.6 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -71 | 138.9 | -176.6 | -48.8 | 0 | 0 | 0 | 0 | 112 | Q318 C326 | C314-Q318 HydrophobicContact CB-CB 4.06Å; C314-C326 WeakPolarHBondContact CA-SG 3.45Å; C314-C326 HydrophobicContact CB-CB 3.82Å; C314-C326 WeakPolarHBondContact CB-SG 3.21Å; C314-C326 PolarHBondContact N-SG 3.39Å; C314-C326 WeakPolarHBondContact SG-CA 3.36Å; C314-C326 WeakPolarHBondContact SG-CB 3.32Å; C314-C326 CovalentContact SG-SG 2.04Å; C314-C326 PolarHBondContact SG-SG 3.39Å |
| 315 | G | 83.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 168.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G317 Q318 | G315-G317 PolarHBondContact O-N 3.34Å; G315-G317 VanDerWaalsContact O-N 3.13Å; G315-Q318 PolarHBondContact O-N 3.47Å |
| 316 | S | 77 | Confident | 86.5 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.4 | 180 | 50.4 | 0 | 0 | 0 | 0 | 115 | R329 | S316-R329 PolarHBondContact O-NH1 3.46Š|
| 317 | G | 77.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G315 R329 | G315-G317 PolarHBondContact O-N 3.34Å; G315-G317 VanDerWaalsContact O-N 3.13Å; G317-R329 WeakPolarHBondContact O-CB 3.44Å; G317-R329 PolarHBondContact O-N 3.17Å |
| 318 | Q | 86.8 | Confident | 87.8 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.4 | -176.5 | -71.7 | 175.3 | -35.4 | 0 | 0 | 111.9 | C314 G315 C326 L327 | C314-Q318 HydrophobicContact CB-CB 4.06Å; G315-Q318 PolarHBondContact O-N 3.47Å; Q318-C326 HydrophobicContact CB-CB 4.42Å; Q318-L327 CarbonylContact C-O 3.54Å; Q318-L327 VanDerWaalsContact CA-O 3.24Å; Q318-L327 WeakPolarHBondContact CA-O 3.38Å; Q318-L327 VanDerWaalsContact CB-O 3.3Å; Q318-L327 WeakPolarHBondContact CB-O 3.34Å |
| 319 | F | 89 | Confident | 87.8 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 144.3 | 166.4 | 175.2 | -103.9 | 0 | 0 | 0 | 109.5 | C326 L327 E332 D344 | F319-C326 CarbonylContact O-C 3.57Å; F319-C326 WeakPolarHBondContact O-CA 3.44Å; F319-L327 HydrophobicContact CB-CB 4.4Å; F319-L327 HydrophobicContact CD1-CB 4.29Å; F319-L327 HydrophobicContact CD1-CD2 4.43Å; F319-L327 PolarHBondContact N-O 3.35Å; F319-L327 PolarHBondContact O-N 3.49Å; F319-E332 HydrophobicContact CB-CB 4.48Å; F319-E332 HydrophobicContact CD2-CB 4.31Å; F319-E332 HydrophobicContact CD2-CG 3.86Å; F319-E332 WeakPolarHBondContact CD2-OE2 3.47Å; F319-E332 VanDerWaalsContact CE2-CD 3.4Å; F319-E332 HydrophobicContact CE2-CG 3.9Å; F319-E332 WeakPolarHBondContact CE2-OE1 3.48Å; F319-E332 HydrophobicContact CG-CB 4.26Å; F319-E332 HydrophobicContact CG-CG 4.23Å; F319-E332 HydrophobicContact CZ-CG 4.3Å; F319-D344 HydrophobicContact CE1-CB 4.21Å |
| 320 | S | 90.1 | Very high | 87.8 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 113.6 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 109 | ||
| 321 | C | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | trans | -61.2 | 157.9 | 166.5 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | E308 N323 G324 C325 C339 | E308-C321 PolarHBondContact OE2-SG 3.14Å; C321-N323 VanDerWaalsContact C-N 3.26Å; C321-N323 WeakPolarHBondContact CB-OD1 3.33Å; C321-N323 PolarHBondContact O-N 2.73Å; C321-G324 PolarHBondContact O-N 3.22Å; C321-C325 PolarHBondContact N-O 3.34Å; C321-C339 HydrophobicContact CB-CB 3.81Å; C321-C339 WeakPolarHBondContact CB-SG 3.36Å; C321-C339 WeakPolarHBondContact SG-CB 3.46Å; C321-C339 CovalentContact SG-SG 2.04Å; C321-C339 PolarHBondContact SG-SG 2.9Å | ||
| 322 | T | 91.1 | Very high | 88.1 | Confident | 117 Ų | 117 | 47.1 Ų | 47.1 | 72% | 0.718 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.5 | -177.2 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | G324 D341 S343 | T322-G324 PolarHBondContact O-N 3.39Å; T322-D341 WeakPolarHBondContact CB-OD2 3.48Å; T322-D341 PolarHBondContact N-OD2 3.44Å; T322-S343 WeakPolarHBondContact CB-OG 3.39Å; T322-S343 PolarHBondContact N-OG 2.74Å; T322-S343 PolarHBondContact OG1-OG 2.82Å |
| 323 | N | 88.8 | Confident | 88.4 | Confident | 70 Ų | 70 | 44 Ų | 44 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.1 | 171.2 | 66.1 | 12.3 | 0 | 0 | 0 | 114.4 | E308 C321 C325 D341 | E308-N323 PolarHBondContact OE2-ND2 3.1Å; C321-N323 VanDerWaalsContact C-N 3.26Å; C321-N323 WeakPolarHBondContact CB-OD1 3.33Å; C321-N323 PolarHBondContact O-N 2.73Å; N323-C325 VanDerWaalsContact CG-SG 3.58Å; N323-C325 VanDerWaalsContact OD1-CB 3.24Å; N323-C325 WeakPolarHBondContact OD1-CB 3.45Å; N323-C325 PolarHBondContact OD1-N 2.83Å; N323-C325 PolarHBondContact OD1-SG 2.93Å; N323-D341 VanDerWaalsContact CB-OD2 3.3Å; N323-D341 WeakPolarHBondContact CB-OD2 3.4Å; N323-D341 PolarHBondContact N-OD2 2.91Å |
| 324 | G | 88.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 83.2 | 15.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C321 T322 | C321-G324 PolarHBondContact O-N 3.22Å; T322-G324 PolarHBondContact O-N 3.39Å |
| 325 | C | 93.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | trans | -90.7 | 154.9 | 171.5 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | E308 C310 C321 N323 | E308-C325 HydrophobicContact CB-CB 3.84Å; E308-C325 HydrophobicContact CG-CB 3.88Å; E308-C325 WeakPolarHBondContact OE2-CB 3.3Å; C310-C325 HydrophobicContact CB-CB 3.97Å; C310-C325 WeakPolarHBondContact CB-SG 3.04Å; C310-C325 WeakPolarHBondContact SG-CB 3.1Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.28Å; C321-C325 PolarHBondContact N-O 3.34Å; N323-C325 VanDerWaalsContact CG-SG 3.58Å; N323-C325 VanDerWaalsContact OD1-CB 3.24Å; N323-C325 WeakPolarHBondContact OD1-CB 3.45Å; N323-C325 PolarHBondContact OD1-N 2.83Å; N323-C325 PolarHBondContact OD1-SG 2.93Å | ||
| 326 | C | 92.3 | Very high | 89 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.1 | -174.7 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | E308 V309 V312 C314 Q318 F319 | E308-C326 CarbonylContact C-O 3.4Å; E308-C326 WeakPolarHBondContact CA-O 3.23Å; V309-C326 PolarHBondContact N-O 3.34Å; V309-C326 PolarHBondContact O-N 2.9Å; V312-C326 PolarHBondContact O-SG 2.85Å; V312-C326 VanDerWaalsContact O-SG 3.35Å; C314-C326 WeakPolarHBondContact CA-SG 3.45Å; C314-C326 HydrophobicContact CB-CB 3.82Å; C314-C326 WeakPolarHBondContact CB-SG 3.21Å; C314-C326 PolarHBondContact N-SG 3.39Å; C314-C326 WeakPolarHBondContact SG-CA 3.36Å; C314-C326 WeakPolarHBondContact SG-CB 3.32Å; C314-C326 CovalentContact SG-SG 2.04Å; C314-C326 PolarHBondContact SG-SG 3.39Å; Q318-C326 HydrophobicContact CB-CB 4.42Å; F319-C326 CarbonylContact O-C 3.57Å; F319-C326 WeakPolarHBondContact O-CA 3.44Å |
| 327 | L | 91.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155.8 | 176.8 | -171.4 | 65.1 | 0 | 0 | 0 | 109.7 | Q318 F319 R329 L331 Q338 D344 | Q318-L327 CarbonylContact C-O 3.54Å; Q318-L327 VanDerWaalsContact CA-O 3.24Å; Q318-L327 WeakPolarHBondContact CA-O 3.38Å; Q318-L327 VanDerWaalsContact CB-O 3.3Å; Q318-L327 WeakPolarHBondContact CB-O 3.34Å; F319-L327 HydrophobicContact CB-CB 4.4Å; F319-L327 HydrophobicContact CD1-CB 4.29Å; F319-L327 HydrophobicContact CD1-CD2 4.43Å; F319-L327 PolarHBondContact N-O 3.35Å; F319-L327 PolarHBondContact O-N 3.49Å; L327-R329 PolarHBondContact O-N 2.03Å; L327-L331 HydrophobicContact CD1-CB 4.5Å; L327-L331 HydrophobicContact CD1-CD1 3.68Å; L327-L331 HydrophobicContact CD2-CB 4.01Å; L327-L331 HydrophobicContact CG-CB 4.11Å; L327-L331 HydrophobicContact CG-CD1 4.06Å; L327-Q338 HydrophobicContact CD1-CB 3.65Å; L327-Q338 HydrophobicContact CD2-CB 4.19Å; L327-D344 HydrophobicContact CD2-CB 3.82Å |
| 328 | D | 88.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.4 | 168.7 | -170.6 | -77.1 | 0 | 0 | 0 | 109.7 | G330 L331 | D328-G330 PolarHBondContact O-N 2.86Å; D328-G330 WeakPolarHBondContact OD1-CA 3.07Å; D328-G330 PolarHBondContact OD1-N 3.34Å; D328-L331 HydrophobicContact CB-CD1 4Å; D328-L331 HydrophobicContact CB-CG 4.22Å; D328-L331 WeakPolarHBondContact O-CB 3.5Å; D328-L331 PolarHBondContact O-N 3.23Å |
| 329 | R | 88.9 | Confident | 90.6 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.3 | -175.3 | -164.7 | 170.8 | -154.6 | 175.3 | -0.8 | 112.9 | D76 S316 G317 L327 L331 | D76-R329 IonicContact OD1-NH1 2.77Å; D76-R329 IonicContact OD1-NH2 2.67Å; D76-R329 IonicContact OD2-CZ 3.08Å; D76-R329 IonicContact OD2-NH1 3.25Å; D76-R329 IonicContact OD2-NH2 2.79Å; D76-R329 PolarHBondContact OD2-NH2 2.82Å; S316-R329 PolarHBondContact O-NH1 3.46Å; G317-R329 WeakPolarHBondContact O-CB 3.44Å; G317-R329 PolarHBondContact O-N 3.17Å; L327-R329 PolarHBondContact O-N 2.03Å; R329-L331 PolarHBondContact O-N 3.22Å |
| 330 | G | 88.8 | Confident | 90.8 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K244 D328 | K244-G330 VanDerWaalsContact CD-O 3.26Å; K244-G330 WeakPolarHBondContact CD-O 3.25Å; K244-G330 PolarHBondContact NZ-O 2.81Å; D328-G330 PolarHBondContact O-N 2.86Å; D328-G330 WeakPolarHBondContact OD1-CA 3.07Å; D328-G330 PolarHBondContact OD1-N 3.34Å |
| 331 | L | 90.8 | Very high | 90.8 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -34.7 | 177.9 | -60.4 | 170.3 | 0 | 0 | 0 | 112.7 | K244 P306 L327 D328 R329 C333 D334 | K244-L331 PolarHBondContact NZ-O 3.14Å; P306-L331 HydrophobicContact CB-CD1 3.74Å; P306-L331 HydrophobicContact CG-CD1 4.02Å; P306-L331 HydrophobicContact CG-CD2 4.23Å; L327-L331 HydrophobicContact CD1-CB 4.5Å; L327-L331 HydrophobicContact CD1-CD1 3.68Å; L327-L331 HydrophobicContact CD2-CB 4.01Å; L327-L331 HydrophobicContact CG-CB 4.11Å; L327-L331 HydrophobicContact CG-CD1 4.06Å; D328-L331 HydrophobicContact CB-CD1 4Å; D328-L331 HydrophobicContact CB-CG 4.22Å; D328-L331 WeakPolarHBondContact O-CB 3.5Å; D328-L331 PolarHBondContact O-N 3.23Å; R329-L331 PolarHBondContact O-N 3.22Å; L331-C333 PolarHBondContact O-N 3.44Å; L331-D334 WeakPolarHBondContact CD2-OD2 3.29Å; L331-D334 VanDerWaalsContact O-CB 3.23Å; L331-D334 WeakPolarHBondContact O-CB 3.5Å; L331-D334 PolarHBondContact O-N 2.82Å |
| 332 | E | 92.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 119.1 | 178 | -173 | -166.8 | 169.4 | 0 | 0 | 113.4 | K244 R273 F319 | K244-E332 WeakPolarHBondContact CE-O 3.32Å; K244-E332 PolarHBondContact NZ-O 2.87Å; R273-E332 IonicContact CZ-OE1 3.64Å; R273-E332 IonicContact CZ-OE2 3.57Å; R273-E332 IonicContact NE-OE1 3.89Å; R273-E332 PolarHBondContact NE-OE1 2.78Å; R273-E332 IonicContact NE-OE2 2.91Å; R273-E332 IonicContact NH1-OE1 3.51Å; R273-E332 PolarHBondContact NH1-OE1 2.9Å; R273-E332 IonicContact NH1-OE2 3.77Å; R273-E332 PolarHBondContact NH1-OE2 2.87Å; R273-E332 IonicContact NH2-OE1 2.68Å; R273-E332 PolarHBondContact NH2-OE1 2.94Å; R273-E332 IonicContact NH2-OE2 2.69Å; R273-E332 PolarHBondContact NH2-OE2 3.09Å; F319-E332 HydrophobicContact CB-CB 4.48Å; F319-E332 HydrophobicContact CD2-CB 4.31Å; F319-E332 HydrophobicContact CD2-CG 3.86Å; F319-E332 WeakPolarHBondContact CD2-OE2 3.47Å; F319-E332 VanDerWaalsContact CE2-CD 3.4Å; F319-E332 HydrophobicContact CE2-CG 3.9Å; F319-E332 WeakPolarHBondContact CE2-OE1 3.48Å; F319-E332 HydrophobicContact CG-CB 4.26Å; F319-E332 HydrophobicContact CG-CG 4.23Å; F319-E332 HydrophobicContact CZ-CG 4.3Å |
| 333 | C | 93.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 46.1 | -172.6 | -53.6 | 0 | 0 | 0 | 0 | 114.9 | K244 P247 R273 L331 D344 E345 C348 | K244-C333 VanDerWaalsContact CE-O 3.28Å; K244-C333 WeakPolarHBondContact CE-O 3.16Å; P247-C333 HydrophobicContact CB-CB 4.08Å; P247-C333 HydrophobicContact CG-CB 3.7Å; R273-C333 HydrophobicContact CG-CB 4.48Å; L331-C333 PolarHBondContact O-N 3.44Å; C333-D344 PolarHBondContact N-O 2.89Å; C333-E345 VanDerWaalsContact C-OE1 3.24Å; C333-E345 WeakPolarHBondContact CA-OE1 3.06Å; C333-E345 PolarHBondContact N-OE1 3Å; C333-E345 VanDerWaalsContact N-OE1 3.11Å; C333-C348 WeakPolarHBondContact CA-SG 3.38Å; C333-C348 HydrophobicContact CB-CB 3.82Å; C333-C348 WeakPolarHBondContact CB-SG 3.39Å; C333-C348 VanDerWaalsContact SG-CA 3.5Å; C333-C348 WeakPolarHBondContact SG-CB 3.39Å; C333-C348 CovalentContact SG-SG 2.03Å; C333-C348 PolarHBondContact SG-SG 3.05Å |
| 334 | D | 90.3 | Very high | 91 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -101.2 | -5 | 169.8 | 75.9 | 13.4 | 0 | 0 | 0 | 115.2 | K244 L331 E336 Q338 E345 | K244-D334 HydrophobicContact CD-CB 4.4Å; L331-D334 WeakPolarHBondContact CD2-OD2 3.29Å; L331-D334 VanDerWaalsContact O-CB 3.23Å; L331-D334 WeakPolarHBondContact O-CB 3.5Å; L331-D334 PolarHBondContact O-N 2.82Å; D334-E336 PolarHBondContact OD1-N 3.47Å; D334-Q338 PolarHBondContact OD1-NE2 2.03Å; D334-Q338 PolarHBondContact OD2-NE2 3.43Å; D334-E345 PolarHBondContact N-OE1 2.97Å |
| 335 | K | 89.9 | Confident | 91.3 | Very high | 189 Ų | 189 | 45 Ų | 45 | 82% | 0.822 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 79.8 | 5.5 | -178.4 | -47.3 | 166.9 | -173.8 | 167.8 | 0 | 115.4 | E345 | K335-E345 VanDerWaalsContact CA-OE2 3.28Å; K335-E345 WeakPolarHBondContact CA-OE2 3.4Å; K335-E345 VanDerWaalsContact N-CD 3.25Å; K335-E345 PolarHBondContact N-OE1 2.99Å; K335-E345 PolarHBondContact N-OE2 3.27Å |
| 336 | E | 90.3 | Very high | 91.2 | Very high | 141 Ų | 141 | 51.3 Ų | 51.3 | 66% | 0.659 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -106.6 | 146.7 | 165.4 | -67.4 | -175.3 | -173.1 | 0 | 0 | 109.1 | D334 Q338 E345 | D334-E336 PolarHBondContact OD1-N 3.47Å; E336-Q338 PolarHBondContact O-NE2 2.81Å; E336-Q338 PolarHBondContact O-OE1 3.15Å; E336-E345 WeakPolarHBondContact O-CG 3.35Å |
| 337 | Q | 92.4 | Very high | 91 | Very high | 127 Ų | 127 | 56 Ų | 56 | 59% | 0.593 | 29% | 0.287 | S | S | * | . | trans | -95.7 | 114.8 | 179.1 | -178.8 | -179.8 | -6.3 | 0 | 0 | 109.5 | C339 | Q337-C339 WeakPolarHBondContact CG-O 3.33Å; Q337-C339 PolarHBondContact NE2-O 2.96Å | ||
| 338 | Q | 91.7 | Very high | 91 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | trans | -113.6 | -27.1 | 176.2 | -48.6 | 93.3 | 15.5 | 0 | 0 | 113.6 | L327 D334 E336 D344 | L327-Q338 HydrophobicContact CD1-CB 3.65Å; L327-Q338 HydrophobicContact CD2-CB 4.19Å; D334-Q338 PolarHBondContact OD1-NE2 2.03Å; D334-Q338 PolarHBondContact OD2-NE2 3.43Å; E336-Q338 PolarHBondContact O-NE2 2.81Å; E336-Q338 PolarHBondContact O-OE1 3.15Å; Q338-D344 WeakPolarHBondContact CA-OD2 3.4Å; Q338-D344 PolarHBondContact N-OD2 3.18Å; Q338-D344 PolarHBondContact OE1-OD2 3.11Å | ||
| 339 | C | 91.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -71 | 130.7 | 165.2 | -66 | 0 | 0 | 0 | 0 | 109.5 | E308 C321 Q337 D341 G342 D344 | E308-C339 WeakPolarHBondContact OE2-CA 3.46Å; C321-C339 HydrophobicContact CB-CB 3.81Å; C321-C339 WeakPolarHBondContact CB-SG 3.36Å; C321-C339 WeakPolarHBondContact SG-CB 3.46Å; C321-C339 CovalentContact SG-SG 2.04Å; C321-C339 PolarHBondContact SG-SG 2.9Å; Q337-C339 WeakPolarHBondContact CG-O 3.33Å; Q337-C339 PolarHBondContact NE2-O 2.96Å; C339-D341 WeakPolarHBondContact CB-OD1 3.5Å; C339-D341 PolarHBondContact O-N 2.84Å; C339-G342 PolarHBondContact O-N 3.07Å; C339-D344 HydrophobicContact CB-CB 4.34Å; C339-D344 PolarHBondContact N-OD2 3.31Å |
| 340 | S | 91.7 | Very high | 91.2 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.1 | 179.5 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | E308 | E308-S340 VanDerWaalsContact CD-N 3.34Å; E308-S340 WeakPolarHBondContact OE1-CB 3.43Å; E308-S340 PolarHBondContact OE1-N 3.23Å; E308-S340 PolarHBondContact OE1-OG 2.85Å; E308-S340 PolarHBondContact OE2-N 2.97Å |
| 341 | D | 90.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -12.1 | 176.4 | 62.7 | 18.9 | 0 | 0 | 0 | 114.5 | T322 N323 C339 S343 | T322-D341 WeakPolarHBondContact CB-OD2 3.48Å; T322-D341 PolarHBondContact N-OD2 3.44Å; N323-D341 VanDerWaalsContact CB-OD2 3.3Å; N323-D341 WeakPolarHBondContact CB-OD2 3.4Å; N323-D341 PolarHBondContact N-OD2 2.91Å; C339-D341 WeakPolarHBondContact CB-OD1 3.5Å; C339-D341 PolarHBondContact O-N 2.84Å; D341-S343 VanDerWaalsContact OD1-CB 3.28Å; D341-S343 WeakPolarHBondContact OD1-CB 3.39Å; D341-S343 PolarHBondContact OD1-N 2.75Å; D341-S343 PolarHBondContact OD1-OG 3.34Å; D341-S343 PolarHBondContact OD2-OG 3.32Å; D341-S343 VanDerWaalsContact OD2-OG 3.12Å |
| 342 | G | 90.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | 81.6 | 13.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C339 D344 E345 E346 | C339-G342 PolarHBondContact O-N 3.07Å; G342-D344 VanDerWaalsContact CA-OD1 3.32Å; G342-D344 WeakPolarHBondContact CA-OD1 3.38Å; G342-D344 PolarHBondContact O-N 2.97Å; G342-E345 PolarHBondContact O-N 2.98Å; G342-E346 PolarHBondContact O-N 2.71Å | ||
| 343 | S | 92.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -25.8 | -178 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | T322 D341 E345 | T322-S343 WeakPolarHBondContact CB-OG 3.39Å; T322-S343 PolarHBondContact N-OG 2.74Å; T322-S343 PolarHBondContact OG1-OG 2.82Å; D341-S343 VanDerWaalsContact OD1-CB 3.28Å; D341-S343 WeakPolarHBondContact OD1-CB 3.39Å; D341-S343 PolarHBondContact OD1-N 2.75Å; D341-S343 PolarHBondContact OD1-OG 3.34Å; D341-S343 PolarHBondContact OD2-OG 3.32Å; D341-S343 VanDerWaalsContact OD2-OG 3.12Å; S343-E345 VanDerWaalsContact C-N 3.3Å |
| 344 | D | 92.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -30 | 177.4 | 43.8 | -5.9 | 0 | 0 | 0 | 113.6 | F319 L327 C333 Q338 C339 G342 | F319-D344 HydrophobicContact CE1-CB 4.21Å; L327-D344 HydrophobicContact CD2-CB 3.82Å; C333-D344 PolarHBondContact N-O 2.89Å; Q338-D344 WeakPolarHBondContact CA-OD2 3.4Å; Q338-D344 PolarHBondContact N-OD2 3.18Å; Q338-D344 PolarHBondContact OE1-OD2 3.11Å; C339-D344 HydrophobicContact CB-CB 4.34Å; C339-D344 PolarHBondContact N-OD2 3.31Å; G342-D344 VanDerWaalsContact CA-OD1 3.32Å; G342-D344 WeakPolarHBondContact CA-OD1 3.38Å; G342-D344 PolarHBondContact O-N 2.97Å |
| 345 | E | 93.2 | Very high | 91.4 | Very high | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -111 | -11.3 | -177.5 | -68.4 | -61.5 | 134.4 | 0 | 0 | 114.1 | C333 D334 K335 E336 G342 S343 C348 | C333-E345 VanDerWaalsContact C-OE1 3.24Å; C333-E345 WeakPolarHBondContact CA-OE1 3.06Å; C333-E345 PolarHBondContact N-OE1 3Å; C333-E345 VanDerWaalsContact N-OE1 3.11Å; D334-E345 PolarHBondContact N-OE1 2.97Å; K335-E345 VanDerWaalsContact CA-OE2 3.28Å; K335-E345 WeakPolarHBondContact CA-OE2 3.4Å; K335-E345 VanDerWaalsContact N-CD 3.25Å; K335-E345 PolarHBondContact N-OE1 2.99Å; K335-E345 PolarHBondContact N-OE2 3.27Å; E336-E345 WeakPolarHBondContact O-CG 3.35Å; G342-E345 PolarHBondContact O-N 2.98Å; S343-E345 VanDerWaalsContact C-N 3.3Å; E345-C348 PolarHBondContact O-SG 3.15Å; E345-C348 VanDerWaalsContact O-SG 3.4Å |
| 346 | E | 91.8 | Very high | 91.5 | Very high | 143 Ų | 143 | 54.7 Ų | 54.7 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | -171.7 | -171.1 | 179.5 | -155.3 | 0 | 0 | 113.8 | G342 | G342-E346 PolarHBondContact O-N 2.71Å |
| 347 | N | 88.3 | Confident | 91.5 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3.8 | -167.9 | -73.4 | -64.8 | 0 | 0 | 0 | 115 | E349 D350 L351 | N347-E349 PolarHBondContact O-N 2.87Å; N347-D350 PolarHBondContact O-N 3.21Å; N347-L351 PolarHBondContact O-N 2.03Å; N347-L351 VanDerWaalsContact O-N 3.15Å |
| 348 | C | 91 | Very high | 91.4 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.081 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | -170.8 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | P247 C333 E345 L351 N352 | P247-C348 HydrophobicContact CB-CB 3.89Å; P247-C348 HydrophobicContact CG-CB 4.37Å; C333-C348 WeakPolarHBondContact CA-SG 3.38Å; C333-C348 HydrophobicContact CB-CB 3.82Å; C333-C348 WeakPolarHBondContact CB-SG 3.39Å; C333-C348 VanDerWaalsContact SG-CA 3.5Å; C333-C348 WeakPolarHBondContact SG-CB 3.39Å; C333-C348 CovalentContact SG-SG 2.03Å; C333-C348 PolarHBondContact SG-SG 3.05Å; E345-C348 PolarHBondContact O-SG 3.15Å; E345-C348 VanDerWaalsContact O-SG 3.4Å; C348-L351 PolarHBondContact O-N 3.06Å; C348-N352 PolarHBondContact O-N 3.19Å; C348-N352 VanDerWaalsContact O-N 3.14Å |
| 349 | E | 90.4 | Very high | 91.4 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.6 | -26.4 | 177.6 | -80.3 | -68.6 | 164 | 0 | 0 | 113.2 | R249 N347 K353 | R249-E349 IonicContact NH2-OE1 2.84Å; N347-E349 PolarHBondContact O-N 2.87Å; E349-K353 WeakPolarHBondContact O-CD 2.98Å; E349-K353 VanDerWaalsContact O-CG 3.23Å; E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 3.13Å |
| 350 | D | 90.4 | Very high | 91.3 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.6 | -42 | 172.1 | -161.6 | 67 | 0 | 0 | 0 | 110.3 | N347 N352 K353 N354 | N347-D350 PolarHBondContact O-N 3.21Å; D350-N352 PolarHBondContact O-N 2.85Å; D350-K353 PolarHBondContact O-N 2.77Å; D350-N354 WeakPolarHBondContact O-CB 2.94Å; D350-N354 VanDerWaalsContact O-CG 3.26Å; D350-N354 PolarHBondContact O-N 3.4Å; D350-N354 PolarHBondContact O-ND2 3.3Å; D350-N354 PolarHBondContact OD2-ND2 2.6Å |
| 351 | L | 90.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.3 | -167.7 | 68.4 | 0 | 0 | 0 | 111.8 | F57 I58 P247 C272 R273 N347 C348 N354 F355 | F57-L351 HydrophobicContact CD1-CD1 3.93Å; F57-L351 HydrophobicContact CD1-CG 4.44Å; F57-L351 HydrophobicContact CE1-CD1 3.52Å; F57-L351 HydrophobicContact CE1-CG 4.2Å; F57-L351 HydrophobicContact CZ-CD1 4.3Å; I58-L351 WeakPolarHBondContact O-CD1 3.23Å; P247-L351 HydrophobicContact CG-CD2 4.06Å; C272-L351 HydrophobicContact CB-CD2 4.23Å; C272-L351 WeakPolarHBondContact SG-CD2 3.4Å; R273-L351 HydrophobicContact CG-CD2 3.52Å; R273-L351 VanDerWaalsContact NE-CD2 3.35Å; N347-L351 PolarHBondContact O-N 2.03Å; N347-L351 VanDerWaalsContact O-N 3.15Å; C348-L351 PolarHBondContact O-N 3.06Å; L351-N354 PolarHBondContact O-N 3.41Å; L351-F355 WeakPolarHBondContact O-CB 3.39Å; L351-F355 PolarHBondContact O-N 3.1Å |
| 352 | N | 92.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 174.9 | 177.8 | 38 | 0 | 0 | 0 | 112.5 | P247 R249 C348 D350 N354 F355 Q356 | P247-N352 WeakPolarHBondContact O-CB 3.32Å; R249-N352 WeakPolarHBondContact CG-OD1 3.46Å; R249-N352 PolarHBondContact N-OD1 3.08Å; R249-N352 VanDerWaalsContact N-OD1 3.09Å; R249-N352 PolarHBondContact NE-ND2 3.24Å; C348-N352 PolarHBondContact O-N 3.19Å; C348-N352 VanDerWaalsContact O-N 3.14Å; D350-N352 PolarHBondContact O-N 2.85Å; N352-N354 VanDerWaalsContact C-N 3.32Å; N352-N354 PolarHBondContact O-N 2.77Å; N352-F355 PolarHBondContact O-N 2.92Å; N352-Q356 VanDerWaalsContact O-CG 3.29Å; N352-Q356 WeakPolarHBondContact O-CG 3.4Å; N352-Q356 PolarHBondContact O-N 3.16Å |
| 353 | K | 92.4 | Very high | 90.6 | Very high | 118 Ų | 118 | 53.5 Ų | 53.5 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.7 | -71.3 | 163.1 | -166.3 | 161.9 | 0 | 111.7 | E349 D350 Q356 I357 | E349-K353 WeakPolarHBondContact O-CD 2.98Å; E349-K353 VanDerWaalsContact O-CG 3.23Å; E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 3.13Å; D350-K353 PolarHBondContact O-N 2.77Å; K353-Q356 PolarHBondContact O-N 3.42Å; K353-I357 WeakPolarHBondContact O-CG1 3.3Å; K353-I357 PolarHBondContact O-N 2.79Å |
| 354 | N | 92.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 179.6 | -69.5 | -42.4 | 0 | 0 | 0 | 112.1 | F57 K60 D350 L351 N352 I357 | F57-N354 HydrophobicContact CE1-CB 4.33Å; F57-N354 HydrophobicContact CZ-CB 4.12Å; K60-N354 HydrophobicContact CB-CB 3.89Å; K60-N354 HydrophobicContact CD-CB 4.11Å; K60-N354 WeakPolarHBondContact CD-OD1 3.38Å; D350-N354 WeakPolarHBondContact O-CB 2.94Å; D350-N354 VanDerWaalsContact O-CG 3.26Å; D350-N354 PolarHBondContact O-N 3.4Å; D350-N354 PolarHBondContact O-ND2 3.3Å; D350-N354 PolarHBondContact OD2-ND2 2.6Å; L351-N354 PolarHBondContact O-N 3.41Å; N352-N354 VanDerWaalsContact C-N 3.32Å; N352-N354 PolarHBondContact O-N 2.77Å; N354-I357 PolarHBondContact O-N 3.42Å |
| 355 | F | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 174.8 | -170.4 | -110.5 | 0 | 0 | 0 | 112.6 | T47 V51 F57 C248 F252 G270 L351 N352 I357 L358 L359 | T47-F355 HydrophobicContact CG2-CD2 4.29Å; T47-F355 HydrophobicContact CG2-CE2 3.6Å; T47-F355 HydrophobicContact CG2-CZ 4.13Å; V51-F355 HydrophobicContact CG1-CZ 4.45Å; V51-F355 HydrophobicContact CG2-CE2 4.12Å; V51-F355 HydrophobicContact CG2-CZ 4.19Å; F57-F355 HydrophobicContact CB-CD2 3.68Å; F57-F355 HydrophobicContact CB-CE2 3.82Å; F57-F355 HydrophobicContact CD1-CB 3.86Å; F57-F355 AromaticContact CD1-CD2 3.55Å; F57-F355 HydrophobicContact CD1-CD2 3.55Å; F57-F355 HydrophobicContact CD1-CG 4.11Å; F57-F355 HydrophobicContact CE1-CB 3.94Å; F57-F355 HydrophobicContact CE1-CD2 4.34Å; F57-F355 AromaticContact CG-CD2 3.73Å; F57-F355 HydrophobicContact CG-CD2 3.73Å; F57-F355 HydrophobicContact CG-CE2 4.36Å; C248-F355 HydrophobicContact CB-CB 4.33Å; C248-F355 HydrophobicContact CB-CD1 3.62Å; C248-F355 HydrophobicContact CB-CE1 4.15Å; C248-F355 HydrophobicContact CB-CG 4.1Å; C248-F355 VanDerWaalsContact SG-CB 3.55Å; F252-F355 AromaticContact CE2-CE1 3.93Å; F252-F355 HydrophobicContact CE2-CE1 3.93Å; F252-F355 AromaticContact CE2-CZ 3.78Å; F252-F355 HydrophobicContact CE2-CZ 3.78Å; F252-F355 HydrophobicContact CZ-CE1 4.38Å; F252-F355 HydrophobicContact CZ-CZ 4.05Å; G270-F355 WeakPolarHBondContact O-CE1 3.37Å; L351-F355 WeakPolarHBondContact O-CB 3.39Å; L351-F355 PolarHBondContact O-N 3.1Å; N352-F355 PolarHBondContact O-N 2.92Å; F355-I357 VanDerWaalsContact C-N 3.29Å; F355-I357 PolarHBondContact O-N 2.81Å; F355-L358 WeakPolarHBondContact O-CB 3.43Å; F355-L358 PolarHBondContact O-N 2.9Å; F355-L359 HydrophobicContact CD1-CD1 4.01Å; F355-L359 HydrophobicContact CD1-CG 4.33Å; F355-L359 HydrophobicContact CE1-CD1 3.66Å; F355-L359 HydrophobicContact CE1-CD2 4.27Å; F355-L359 HydrophobicContact CE1-CG 4.04Å; F355-L359 HydrophobicContact CZ-CD1 4.42Å; F355-L359 HydrophobicContact CZ-CD2 4.21Å; F355-L359 HydrophobicContact CZ-CG 4.4Å; F355-L359 PolarHBondContact O-N 3.01Å |
| 356 | Q | 91.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 175.4 | -73 | -68.4 | -49.5 | 0 | 0 | 113 | R249 N352 K353 L358 Q360 | R249-Q356 PolarHBondContact O-NE2 2.75Å; R249-Q356 VanDerWaalsContact O-NE2 3.11Å; N352-Q356 VanDerWaalsContact O-CG 3.29Å; N352-Q356 WeakPolarHBondContact O-CG 3.4Å; N352-Q356 PolarHBondContact O-N 3.16Å; K353-Q356 PolarHBondContact O-N 3.42Å; Q356-L358 PolarHBondContact O-N 3.44Å; Q356-Q360 WeakPolarHBondContact O-CB 3.42Å; Q356-Q360 WeakPolarHBondContact O-CG 3.01Å; Q356-Q360 PolarHBondContact O-N 2.82Å |
| 357 | I | 91.1 | Very high | 88.5 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 171.9 | -68.3 | 166.4 | 0 | 0 | 0 | 110.7 | F97 K353 N354 F355 Q360 I361 | F97-I357 HydrophobicContact CZ-CG2 4.4Å; K353-I357 WeakPolarHBondContact O-CG1 3.3Å; K353-I357 PolarHBondContact O-N 2.79Å; N354-I357 PolarHBondContact O-N 3.42Å; F355-I357 VanDerWaalsContact C-N 3.29Å; F355-I357 PolarHBondContact O-N 2.81Å; I357-Q360 PolarHBondContact O-N 3.47Å; I357-I361 WeakPolarHBondContact O-CG1 3.33Å |
| 358 | L | 90.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -45 | -178.6 | -64.4 | -177.6 | 0 | 0 | 0 | 112.8 | T47 F57 F83 F97 F99 F355 Q356 Q360 I361 | T47-L358 HydrophobicContact CG2-CB 3.91Å; T47-L358 HydrophobicContact CG2-CD1 4.3Å; F57-L358 HydrophobicContact CD2-CD1 4.1Å; F57-L358 HydrophobicContact CE2-CD1 4Å; F83-L358 HydrophobicContact CE2-CD2 3.93Å; F83-L358 HydrophobicContact CZ-CD1 4.2Å; F83-L358 HydrophobicContact CZ-CD2 3.61Å; F97-L358 HydrophobicContact CB-CD1 4.43Å; F97-L358 HydrophobicContact CD1-CD1 3.77Å; F97-L358 HydrophobicContact CD1-CD2 3.59Å; F97-L358 HydrophobicContact CD1-CG 3.88Å; F97-L358 HydrophobicContact CD2-CD2 3.87Å; F97-L358 HydrophobicContact CE1-CD1 4.25Å; F97-L358 HydrophobicContact CE1-CD2 3.51Å; F97-L358 HydrophobicContact CE1-CG 3.86Å; F97-L358 HydrophobicContact CE2-CD2 3.8Å; F97-L358 HydrophobicContact CG-CD1 4.23Å; F97-L358 HydrophobicContact CG-CD2 3.76Å; F97-L358 HydrophobicContact CG-CG 4.44Å; F97-L358 HydrophobicContact CZ-CD2 3.61Å; F97-L358 HydrophobicContact CZ-CG 4.41Å; F99-L358 HydrophobicContact CE2-CD1 3.57Å; F99-L358 HydrophobicContact CZ-CD1 3.56Å; F355-L358 WeakPolarHBondContact O-CB 3.43Å; F355-L358 PolarHBondContact O-N 2.9Å; Q356-L358 PolarHBondContact O-N 3.44Å; L358-Q360 PolarHBondContact O-N 2.79Å; L358-I361 HydrophobicContact CD2-CD1 3.8Å; L358-I361 WeakPolarHBondContact O-CB 3.36Å; L358-I361 WeakPolarHBondContact O-CG1 3.22Å; L358-I361 PolarHBondContact O-N 3.15Å; L358-I361 VanDerWaalsContact O-N 3.12Å |
| 359 | L | 90.4 | Very high | 88 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -20.9 | 175.1 | -61.6 | -179.7 | 0 | 0 | 0 | 113.1 | T47 D48 F252 F355 | T47-L359 HydrophobicContact CG2-CD2 4.06Å; D48-L359 HydrophobicContact CB-CD2 4.12Å; F252-L359 HydrophobicContact CZ-CD2 4.24Å; F355-L359 HydrophobicContact CD1-CD1 4.01Å; F355-L359 HydrophobicContact CD1-CG 4.33Å; F355-L359 HydrophobicContact CE1-CD1 3.66Å; F355-L359 HydrophobicContact CE1-CD2 4.27Å; F355-L359 HydrophobicContact CE1-CG 4.04Å; F355-L359 HydrophobicContact CZ-CD1 4.42Å; F355-L359 HydrophobicContact CZ-CD2 4.21Å; F355-L359 HydrophobicContact CZ-CG 4.4Å; F355-L359 PolarHBondContact O-N 3.01Å |
| 360 | Q | 89.4 | Confident | 88 | Confident | 141 Ų | 141 | 55.4 Ų | 55.4 | 66% | 0.659 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2.8 | 177.3 | -71.5 | 171.7 | 24 | 0 | 0 | 113.8 | Q356 I357 L358 P362 | Q356-Q360 WeakPolarHBondContact O-CB 3.42Å; Q356-Q360 WeakPolarHBondContact O-CG 3.01Å; Q356-Q360 PolarHBondContact O-N 2.82Å; I357-Q360 PolarHBondContact O-N 3.47Å; L358-Q360 PolarHBondContact O-N 2.79Å; Q360-P362 WeakPolarHBondContact O-CD 3.44Å |
| 361 | I | 88.4 | Confident | 87.9 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.5 | 115.4 | 174.3 | -64.3 | -179.8 | 0 | 0 | 0 | 107.8 | V44 K114 F117 I357 L358 V363 | V44-I361 HydrophobicContact CG1-CG2 4.22Å; V44-I361 HydrophobicContact CG2-CD1 4.04Å; V44-I361 HydrophobicContact CG2-CG2 4.25Å; K114-I361 HydrophobicContact CD-CG2 3.49Å; K114-I361 VanDerWaalsContact CD-CG2 3.49Å; K114-I361 VanDerWaalsContact CE-CG2 3.42Å; F117-I361 HydrophobicContact CE1-CD1 4.29Å; F117-I361 HydrophobicContact CZ-CD1 4.36Å; I357-I361 WeakPolarHBondContact O-CG1 3.33Å; L358-I361 HydrophobicContact CD2-CD1 3.8Å; L358-I361 WeakPolarHBondContact O-CB 3.36Å; L358-I361 WeakPolarHBondContact O-CG1 3.22Å; L358-I361 PolarHBondContact O-N 3.15Å; L358-I361 VanDerWaalsContact O-N 3.12Å; I361-V363 WeakPolarHBondContact O-CG2 3.01Å; I361-V363 PolarHBondContact O-N 3.34Å |
| 362 | P | 85.4 | Confident | 87.4 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | trans | -69.8 | 124.1 | -178.1 | 23.1 | -30.3 | 0 | 0 | 0 | 110.4 | K114 Q360 | K114-P362 VanDerWaalsContact NZ-CD 3.35Å; K114-P362 PolarHBondContact NZ-O 3.23Å; Q360-P362 WeakPolarHBondContact O-CD 3.44Å | ||
| 363 | V | 84.8 | Confident | 87 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | trans | -110.7 | 147.2 | 178.9 | -171 | 0 | 0 | 0 | 0 | 108.8 | V112 I361 E365 V368 | V112-V363 HydrophobicContact CB-CG1 3.67Å; V112-V363 HydrophobicContact CG1-CG1 3.56Å; V112-V363 HydrophobicContact CG2-CG1 3.68Å; I361-V363 WeakPolarHBondContact O-CG2 3.01Å; I361-V363 PolarHBondContact O-N 3.34Å; V363-E365 PolarHBondContact O-N 2.03Å; V363-V368 HydrophobicContact CG1-CG2 3.38Å | ||
| 364 | D | 84.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | trans | -86 | 89.7 | 176.2 | -176.1 | -23.3 | 0 | 0 | 0 | 109.3 | Q366 K367 V368 | D364-Q366 PolarHBondContact O-N 2.78Å; D364-Q366 VanDerWaalsContact O-N 3.13Å; D364-Q366 WeakPolarHBondContact OD1-CB 3.47Å; D364-Q366 PolarHBondContact OD1-N 2.77Å; D364-K367 HydrophobicContact CB-CB 4.07Å; D364-K367 HydrophobicContact CB-CD 4.08Å; D364-K367 HydrophobicContact CB-CG 4.17Å; D364-K367 WeakPolarHBondContact O-CA 3.34Å; D364-K367 WeakPolarHBondContact O-CB 3.35Å; D364-K367 PolarHBondContact O-N 3.36Å; D364-K367 PolarHBondContact OD1-N 2.83Å; D364-K367 VanDerWaalsContact OD1-N 3.12Å; D364-K367 VanDerWaalsContact OD2-CD 3.23Å; D364-K367 WeakPolarHBondContact OD2-CD 3.41Å; D364-K367 VanDerWaalsContact OD2-CE 3.25Å; D364-K367 WeakPolarHBondContact OD2-CE 2.98Å; D364-K367 WeakPolarHBondContact OD2-CG 3.26Å; D364-V368 WeakPolarHBondContact O-CG2 3.39Å; D364-V368 PolarHBondContact O-N 3.46Å | ||
| 365 | E | 78.4 | Confident | 86.3 | Confident | 166 Ų | 166 | 58.1 Ų | 58.1 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -51.8 | -31.2 | -179.5 | -68.9 | 177.6 | -169 | 0 | 0 | 113.6 | V363 V368 R369 | V363-E365 PolarHBondContact O-N 2.03Å; E365-V368 WeakPolarHBondContact O-CB 3.19Å; E365-R369 WeakPolarHBondContact O-CB 3.03Å; E365-R369 PolarHBondContact O-N 3.37Å |
| 366 | Q | 80.1 | Confident | 86 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 41% | 0.407 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 177.6 | -172.8 | 175.8 | 8.8 | 0 | 0 | 111.1 | D364 C370 T419 | D364-Q366 PolarHBondContact O-N 2.78Å; D364-Q366 VanDerWaalsContact O-N 3.13Å; D364-Q366 WeakPolarHBondContact OD1-CB 3.47Å; D364-Q366 PolarHBondContact OD1-N 2.77Å; Q366-C370 PolarHBondContact O-SG 3.46Å; Q366-T419 PolarHBondContact NE2-O 3Å |
| 367 | K | 82.9 | Confident | 85.6 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68 | -46.4 | 171.7 | -72.8 | -176.9 | -179.1 | -157.3 | 0 | 112.1 | D364 R369 C370 T371 V423 D427 | D364-K367 HydrophobicContact CB-CB 4.07Å; D364-K367 HydrophobicContact CB-CD 4.08Å; D364-K367 HydrophobicContact CB-CG 4.17Å; D364-K367 WeakPolarHBondContact O-CA 3.34Å; D364-K367 WeakPolarHBondContact O-CB 3.35Å; D364-K367 PolarHBondContact O-N 3.36Å; D364-K367 PolarHBondContact OD1-N 2.83Å; D364-K367 VanDerWaalsContact OD1-N 3.12Å; D364-K367 VanDerWaalsContact OD2-CD 3.23Å; D364-K367 WeakPolarHBondContact OD2-CD 3.41Å; D364-K367 VanDerWaalsContact OD2-CE 3.25Å; D364-K367 WeakPolarHBondContact OD2-CE 2.98Å; D364-K367 WeakPolarHBondContact OD2-CG 3.26Å; K367-R369 PolarHBondContact O-N 3.14Å; K367-C370 PolarHBondContact O-N 2.98Å; K367-C370 VanDerWaalsContact O-N 3.15Å; K367-T371 WeakPolarHBondContact O-CG2 3.28Å; K367-T371 PolarHBondContact O-N 3.44Å; K367-T371 PolarHBondContact O-OG1 3.31Å; K367-V423 HydrophobicContact CG-CG2 4.06Å; K367-D427 HydrophobicContact CD-CB 4.36Å; K367-D427 IonicContact NZ-OD1 2.77Å; K367-D427 PolarHBondContact NZ-OD1 3.28Å; K367-D427 IonicContact NZ-OD2 3.95Å |
| 368 | V | 81.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -43 | -65.3 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 108.5 | R110 V112 V363 D364 E365 C370 T371 | R110-V368 VanDerWaalsContact NH2-CG1 3.35Å; R110-V368 PolarHBondContact NH2-O 3.33Å; V112-V368 HydrophobicContact CB-CG2 4.35Å; V112-V368 HydrophobicContact CG1-CG2 3.99Å; V112-V368 HydrophobicContact CG2-CB 4.42Å; V112-V368 HydrophobicContact CG2-CG2 3.48Å; V112-V368 VanDerWaalsContact CG2-CG2 3.48Å; V363-V368 HydrophobicContact CG1-CG2 3.38Å; D364-V368 WeakPolarHBondContact O-CG2 3.39Å; D364-V368 PolarHBondContact O-N 3.46Å; E365-V368 WeakPolarHBondContact O-CB 3.19Å; V368-C370 PolarHBondContact O-N 3.37Å; V368-C370 VanDerWaalsContact O-N 3.07Å; V368-T371 PolarHBondContact O-N 3.14Å; V368-T371 PolarHBondContact O-OG1 2.03Å |
| 369 | R | 87.9 | Confident | 85 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.8 | -33.1 | -175.4 | 175.4 | 166 | -176.6 | -175.9 | 4.7 | 115.1 | E365 K367 E407 N408 R409 F410 | E365-R369 WeakPolarHBondContact O-CB 3.03Å; E365-R369 PolarHBondContact O-N 3.37Å; K367-R369 PolarHBondContact O-N 3.14Å; R369-E407 HydrophobicContact CB-CB 4.38Å; R369-E407 HydrophobicContact CG-CB 3.74Å; R369-E407 WeakPolarHBondContact CG-O 3.09Å; R369-E407 PolarHBondContact NE-O 3.17Å; R369-E407 PolarHBondContact NH2-O 2.77Å; R369-N408 WeakPolarHBondContact O-CA 3.45Å; R369-N408 WeakPolarHBondContact O-CB 3.42Å; R369-N408 PolarHBondContact O-N 3.3Å; R369-R409 PolarHBondContact NH2-O 3.49Å; R369-F410 VanDerWaalsContact NH2-CE1 3.28Å |
| 370 | C | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -98.8 | -7.4 | -169 | -63.2 | 0 | 0 | 0 | 0 | 114.6 | Q366 K367 V368 Y388 P390 N408 C420 V423 | Q366-C370 PolarHBondContact O-SG 3.46Å; K367-C370 PolarHBondContact O-N 2.98Å; K367-C370 VanDerWaalsContact O-N 3.15Å; V368-C370 PolarHBondContact O-N 3.37Å; V368-C370 VanDerWaalsContact O-N 3.07Å; C370-Y388 HydrophobicContact CB-CD1 4.14Å; C370-P390 WeakPolarHBondContact O-CG 3.38Å; C370-N408 PolarHBondContact O-ND2 3.02Å; C370-C420 HydrophobicContact CB-CB 3.64Å; C370-C420 WeakPolarHBondContact CB-SG 3.4Å; C370-C420 WeakPolarHBondContact SG-CA 3.47Å; C370-C420 WeakPolarHBondContact SG-CB 3.29Å; C370-C420 CovalentContact SG-SG 2.03Å; C370-C420 PolarHBondContact SG-SG 3Å; C370-V423 HydrophobicContact CB-CB 4.08Å; C370-V423 HydrophobicContact CB-CG1 4.09Å; C370-V423 HydrophobicContact CB-CG2 3.79Å |
| 371 | T | 86.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -91.7 | -11.5 | -179.4 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | K367 V368 P390 V423 D427 | K367-T371 WeakPolarHBondContact O-CG2 3.28Å; K367-T371 PolarHBondContact O-N 3.44Å; K367-T371 PolarHBondContact O-OG1 3.31Å; V368-T371 PolarHBondContact O-N 3.14Å; V368-T371 PolarHBondContact O-OG1 2.03Å; T371-P390 HydrophobicContact CG2-CG 4.4Å; T371-V423 HydrophobicContact CG2-CG1 3.61Å; T371-D427 HydrophobicContact CG2-CB 4.27Å; T371-D427 WeakPolarHBondContact CG2-O 3.49Å |
| 372 | E | 81.7 | Confident | 84.9 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -75.6 | 148.3 | -178.1 | -61.9 | -178.1 | 73 | 0 | 0 | 113.6 | R110 N406 N408 | R110-E372 IonicContact CZ-OE2 3.79Å; R110-E372 IonicContact NH1-OE1 2.77Å; R110-E372 IonicContact NH1-OE2 3.83Å; R110-E372 PolarHBondContact NH1-OE2 2.92Å; R110-E372 IonicContact NH2-OE2 3.55Å; R110-E372 PolarHBondContact NH2-OE2 2.81Å; E372-N406 VanDerWaalsContact CB-ND2 3.29Å; E372-N406 WeakPolarHBondContact CB-ND2 3.32Å; E372-N406 WeakPolarHBondContact OE1-CB 3.31Å; E372-N406 PolarHBondContact OE1-ND2 3.05Å; E372-N406 WeakPolarHBondContact OE2-CB 3.3Å; E372-N408 HydrophobicContact CB-CB 4.31Å; E372-N408 PolarHBondContact O-ND2 3.25Å |
| 373 | H | 82.8 | Confident | 85.3 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -65 | 146.6 | 163.6 | -60.1 | -77.2 | 0 | 0 | 0 | 111.1 | K375 N406 | H373-K375 PolarHBondContact O-N 2.64Å; H373-N406 PolarHBondContact O-ND2 3.03Å |
| 374 | P | 86.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 65 Ų | 65 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 125.2 | 179.4 | 27.5 | -34.8 | 0 | 0 | 0 | 110.6 | Y387 F398 | P374-Y387 HydrophobicContact CB-CD1 3.81Å; P374-Y387 HydrophobicContact CB-CD2 4.06Å; P374-Y387 HydrophobicContact CB-CE1 4.3Å; P374-Y387 HydrophobicContact CB-CG 3.66Å; P374-Y387 HydrophobicContact CG-CD1 3.8Å; P374-Y387 HydrophobicContact CG-CD2 3.8Å; P374-Y387 HydrophobicContact CG-CE1 3.78Å; P374-Y387 HydrophobicContact CG-CE2 3.79Å; P374-Y387 HydrophobicContact CG-CG 3.8Å; P374-F398 HydrophobicContact CB-CB 4.46Å; P374-F398 HydrophobicContact CB-CD1 4.1Å; P374-F398 HydrophobicContact CB-CD2 3.84Å; P374-F398 HydrophobicContact CB-CE1 4.2Å; P374-F398 HydrophobicContact CB-CE2 3.95Å; P374-F398 HydrophobicContact CB-CG 3.9Å; P374-F398 HydrophobicContact CB-CZ 4.11Å |
| 375 | K | 84.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | trans | -100.1 | 113.3 | 175 | -72.8 | -177.5 | 178.6 | 178.7 | 0 | 110.9 | H373 G377 N406 | H373-K375 PolarHBondContact O-N 2.64Å; K375-G377 VanDerWaalsContact C-N 3.34Å; K375-N406 HydrophobicContact CD-CB 4.41Å; K375-N406 PolarHBondContact N-OD1 3.23Å | ||
| 376 | T | 85.2 | Confident | 87.3 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | trans | -61.5 | -41.9 | 173 | -58 | 0 | 0 | 0 | 0 | 111.5 | N399 Y400 G401 | T376-N399 WeakPolarHBondContact CG2-O 3.42Å; T376-N399 PolarHBondContact OG1-O 2.88Å; T376-Y400 VanDerWaalsContact O-CD2 3.25Å; T376-Y400 WeakPolarHBondContact O-CD2 3.25Å; T376-G401 WeakPolarHBondContact O-CA 3.29Å; T376-G401 PolarHBondContact O-N 3.48Å | ||
| 377 | G | 83.6 | Confident | 88 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | 76.8 | 172.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K375 C379 | K375-G377 VanDerWaalsContact C-N 3.34Å; G377-C379 PolarHBondContact O-N 3.4Å | ||
| 378 | N | 81.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88.1 | 4.8 | -166.5 | -69.3 | -24.4 | 0 | 0 | 0 | 116 | N164 E165 | N164-N378 PolarHBondContact ND2-OD1 2.94Å; N164-N378 PolarHBondContact OD1-OD1 2.87Å; E165-N378 WeakPolarHBondContact CG-OD1 3.25Å; E165-N378 PolarHBondContact OE1-OD1 2.93Å |
| 379 | C | 88 | Confident | 88.8 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | trans | -89.8 | 155.9 | 172.3 | -70.3 | 0 | 0 | 0 | 0 | 110.9 | G377 G401 C403 | G377-C379 PolarHBondContact O-N 3.4Å; C379-G401 CarbonylContact C-O 3.56Å; C379-G401 WeakPolarHBondContact CB-O 3.46Å; C379-G401 CarbonylContact O-C 3.59Å; C379-G401 WeakPolarHBondContact O-CA 3.32Å; C379-C403 HydrophobicContact CB-CB 3.93Å; C379-C403 WeakPolarHBondContact CB-SG 3.47Å; C379-C403 PolarHBondContact N-SG 3.31Å; C379-C403 VanDerWaalsContact N-SG 3.43Å; C379-C403 WeakPolarHBondContact SG-CB 3.42Å; C379-C403 CovalentContact SG-SG 2.03Å; C379-C403 PolarHBondContact SG-SG 3.46Å | ||
| 380 | R | 85.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | trans | -105.9 | 11.6 | -171.5 | -61.1 | -173.1 | -176.9 | -91.5 | -4.7 | 114.5 | D195 G401 | D195-R380 IonicContact OD1-CZ 3.62Å; D195-R380 IonicContact OD1-NH1 2.67Å; D195-R380 PolarHBondContact OD1-NH1 2.67Å; D195-R380 VanDerWaalsContact OD1-NH1 3.08Å; D195-R380 IonicContact OD1-NH2 3.88Å; D195-R380 IonicContact OD2-CZ 2.65Å; D195-R380 VanDerWaalsContact OD2-CZ 3.25Å; D195-R380 IonicContact OD2-NH1 3.17Å; D195-R380 PolarHBondContact OD2-NH1 2.98Å; D195-R380 IonicContact OD2-NH2 2.67Å; D195-R380 PolarHBondContact OD2-NH2 2.97Å; R380-G401 PolarHBondContact N-O 3.03Å | ||
| 381 | E | 89.2 | Confident | 88.6 | Confident | 131 Ų | 131 | 53.7 Ų | 53.7 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | trans | -70.6 | 161.4 | 170.2 | -64.4 | -64.5 | 161.5 | 0 | 0 | 110.2 | F383 G401 | E381-F383 HydrophobicContact CB-CD2 3.92Å; E381-F383 HydrophobicContact CB-CE2 3.39Å; E381-F383 HydrophobicContact CB-CZ 4.06Å; E381-F383 HydrophobicContact CG-CE2 4Å; E381-F383 HydrophobicContact CG-CZ 4.39Å; E381-G401 WeakPolarHBondContact CB-O 3.28Å; E381-G401 PolarHBondContact N-O 2.86Å; E381-G401 CarbonylContact O-C 3.57Å; E381-G401 VanDerWaalsContact O-CA 3.26Å; E381-G401 WeakPolarHBondContact O-CA 3.47Å | ||
| 382 | S | 91.5 | Very high | 88.6 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | trans | -123.1 | 87.7 | -179.8 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 383 | F | 94.1 | Very high | 89 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.5 | 174 | -59.9 | -74.9 | 0 | 0 | 0 | 110.2 | E381 K385 Y400 | E381-F383 HydrophobicContact CB-CD2 3.92Å; E381-F383 HydrophobicContact CB-CE2 3.39Å; E381-F383 HydrophobicContact CB-CZ 4.06Å; E381-F383 HydrophobicContact CG-CE2 4Å; E381-F383 HydrophobicContact CG-CZ 4.39Å; F383-K385 HydrophobicContact CB-CG 4.46Å; F383-K385 PolarHBondContact O-N 2.68Å; F383-Y400 HydrophobicContact CB-CD1 4.35Å; F383-Y400 HydrophobicContact CD2-CD1 4.22Å; F383-Y400 PolarHBondContact N-O 3.47Å; F383-Y400 PolarHBondContact O-N 2.89Å |
| 384 | T | 95.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 121.6 | 165.3 | -75.7 | 0 | 0 | 0 | 0 | 109.2 | R397 | T384-R397 HydrophobicContact CG2-CG 4.41Å; T384-R397 PolarHBondContact OG1-NH2 2.82Å; T384-R397 VanDerWaalsContact OG1-NH2 3.09Å |
| 385 | K | 96.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 170.8 | 172.6 | -62.6 | -62.7 | -177.6 | -169.4 | 0 | 109.9 | F383 R397 F398 Y400 R409 D411 | F383-K385 HydrophobicContact CB-CG 4.46Å; F383-K385 PolarHBondContact O-N 2.68Å; K385-R397 CarbonylContact O-C 3.57Å; K385-R397 VanDerWaalsContact O-CA 3.3Å; K385-R397 WeakPolarHBondContact O-CA 3.48Å; K385-F398 HydrophobicContact CB-CD1 4.04Å; K385-F398 HydrophobicContact CB-CE1 3.6Å; K385-F398 HydrophobicContact CB-CZ 4.1Å; K385-F398 PolarHBondContact N-O 3.4Å; K385-F398 PolarHBondContact O-N 3.32Å; K385-Y400 HydrophobicContact CG-CD1 4.41Å; K385-Y400 HydrophobicContact CG-CG 4.41Å; K385-R409 HydrophobicContact CB-CG 3.89Å; K385-R409 HydrophobicContact CD-CG 4.35Å; K385-R409 HydrophobicContact CG-CG 3.88Å; K385-D411 IonicContact NZ-OD1 2.65Å; K385-D411 PolarHBondContact NZ-OD1 2.94Å |
| 386 | W | 96.2 | Very high | 90.3 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.5 | 175.5 | -64.4 | 83.9 | 0 | 0 | 0 | 110.7 | C395 F396 R397 R409 F410 E413 C416 | W386-C395 HydrophobicContact CE3-CB 4.07Å; W386-F396 CarbonylContact C-O 3.54Å; W386-F396 VanDerWaalsContact CA-O 3.28Å; W386-F396 WeakPolarHBondContact CA-O 3.45Å; W386-R397 HydrophobicContact CD2-CG 3.75Å; W386-R397 HydrophobicContact CE3-CG 3.81Å; W386-R397 HydrophobicContact CH2-CG 3.65Å; W386-R397 HydrophobicContact CZ2-CG 3.54Å; W386-R397 HydrophobicContact CZ3-CG 3.77Å; W386-R409 CarbonylContact O-C 3.51Å; W386-R409 WeakPolarHBondContact O-CA 3.37Å; W386-F410 HydrophobicContact CB-CB 4.25Å; W386-F410 PolarHBondContact N-O 3.17Å; W386-F410 PolarHBondContact O-N 2.92Å; W386-E413 HydrophobicContact CD2-CB 3.88Å; W386-E413 HydrophobicContact CD2-CG 4.44Å; W386-E413 HydrophobicContact CE3-CB 3.84Å; W386-E413 HydrophobicContact CE3-CG 3.88Å; W386-E413 HydrophobicContact CH2-CB 3.75Å; W386-E413 HydrophobicContact CH2-CG 3.92Å; W386-E413 WeakPolarHBondContact CH2-OE2 3.41Å; W386-E413 HydrophobicContact CZ2-CB 3.82Å; W386-E413 HydrophobicContact CZ2-CG 4.5Å; W386-E413 HydrophobicContact CZ3-CB 3.76Å; W386-E413 VanDerWaalsContact CZ3-CD 3.47Å; W386-E413 HydrophobicContact CZ3-CG 3.59Å; W386-C416 HydrophobicContact CB-CB 4.2Å |
| 387 | Y | 94.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.2 | 170.7 | 78.4 | -83.6 | 0 | 0 | 0 | 109.6 | P374 N389 C395 F396 F398 N408 C416 | P374-Y387 HydrophobicContact CB-CD1 3.81Å; P374-Y387 HydrophobicContact CB-CD2 4.06Å; P374-Y387 HydrophobicContact CB-CE1 4.3Å; P374-Y387 HydrophobicContact CB-CG 3.66Å; P374-Y387 HydrophobicContact CG-CD1 3.8Å; P374-Y387 HydrophobicContact CG-CD2 3.8Å; P374-Y387 HydrophobicContact CG-CE1 3.78Å; P374-Y387 HydrophobicContact CG-CE2 3.79Å; P374-Y387 HydrophobicContact CG-CG 3.8Å; Y387-N389 HydrophobicContact CE2-CB 4.09Å; Y387-C395 CarbonylContact O-C 3.5Å; Y387-C395 WeakPolarHBondContact O-CA 3.47Å; Y387-F396 HydrophobicContact CD1-CB 4.13Å; Y387-F396 WeakPolarHBondContact CD1-O 3.46Å; Y387-F396 HydrophobicContact CE1-CB 3.52Å; Y387-F396 PolarHBondContact N-O 3.47Å; Y387-F396 PolarHBondContact O-N 3.44Å; Y387-F398 HydrophobicContact CD1-CB 4.06Å; Y387-F398 AromaticContact CD1-CD1 3.75Å; Y387-F398 HydrophobicContact CD1-CD1 3.75Å; Y387-F398 HydrophobicContact CD1-CG 4.18Å; Y387-F398 HydrophobicContact CE1-CB 4.26Å; Y387-F398 HydrophobicContact CG-CD1 4.34Å; Y387-N408 WeakPolarHBondContact CA-O 3.38Å; Y387-N408 WeakPolarHBondContact CB-O 3.35Å; Y387-C416 VanDerWaalsContact C-SG 3.52Å |
| 388 | Y | 93.1 | Very high | 91 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.9 | 175.8 | -174.5 | -104.4 | 0 | 0 | 0 | 111.1 | C370 P390 Q393 N408 M417 C420 V423 | C370-Y388 HydrophobicContact CB-CD1 4.14Å; Y388-P390 HydrophobicContact CD1-CB 4.36Å; Y388-P390 HydrophobicContact CD1-CG 3.93Å; Y388-P390 HydrophobicContact CE1-CB 3.92Å; Y388-P390 HydrophobicContact CE1-CG 4Å; Y388-Q393 VanDerWaalsContact CE2-C 3.44Å; Y388-Q393 VanDerWaalsContact OH-CA 3.26Å; Y388-Q393 WeakPolarHBondContact OH-CA 3.45Å; Y388-Q393 WeakPolarHBondContact OH-CB 3.28Å; Y388-N408 PolarHBondContact N-OD1 3.47Å; Y388-N408 PolarHBondContact O-ND2 3Å; Y388-M417 HydrophobicContact CD2-SD 4.47Å; Y388-M417 HydrophobicContact CE2-SD 4.38Å; Y388-C420 HydrophobicContact CD1-CB 3.5Å; Y388-C420 HydrophobicContact CD2-CB 3.4Å; Y388-C420 VanDerWaalsContact CD2-CB 3.4Å; Y388-C420 HydrophobicContact CE1-CB 3.91Å; Y388-C420 WeakPolarHBondContact CE1-O 3.36Å; Y388-C420 HydrophobicContact CE2-CB 3.83Å; Y388-C420 HydrophobicContact CG-CB 3.2Å; Y388-C420 VanDerWaalsContact CZ-O 3.27Å; Y388-C420 PolarHBondContact OH-O 3.18Å; Y388-V423 HydrophobicContact CE1-CB 3.98Å; Y388-V423 WeakPolarHBondContact CE1-O 3.46Å; Y388-V423 PolarHBondContact OH-O 2.84Å |
| 389 | N | 88.2 | Confident | 91.5 | Very high | 31 Ų | 31 | 66 Ų | 66 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.3 | 169.3 | -175.4 | -45.5 | 0 | 0 | 0 | 109.3 | Y387 V391 Y392 Q393 K394 F396 | Y387-N389 HydrophobicContact CE2-CB 4.09Å; N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.8Å; N389-V391 VanDerWaalsContact OD1-CB 3.27Å; N389-V391 WeakPolarHBondContact OD1-CB 3.48Å; N389-V391 PolarHBondContact OD1-N 3.3Å; N389-Y392 HydrophobicContact CB-CD2 4.24Å; N389-Y392 PolarHBondContact O-N 2.87Å; N389-Y392 PolarHBondContact OD1-N 3.11Å; N389-Q393 WeakPolarHBondContact O-CA 3.42Å; N389-Q393 PolarHBondContact O-N 3.26Å; N389-K394 PolarHBondContact N-O 3.46Å; N389-K394 PolarHBondContact O-N 3.48Å; N389-F396 HydrophobicContact CB-CD2 3.92Å; N389-F396 HydrophobicContact CB-CE2 3.86Å |
| 390 | P | 88.6 | Confident | 91.7 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.5 | -177.8 | -13.2 | 26.2 | 0 | 0 | 0 | 115.5 | C370 T371 Y388 Q393 V423 T424 E425 I428 | C370-P390 WeakPolarHBondContact O-CG 3.38Å; T371-P390 HydrophobicContact CG2-CG 4.4Å; Y388-P390 HydrophobicContact CD1-CB 4.36Å; Y388-P390 HydrophobicContact CD1-CG 3.93Å; Y388-P390 HydrophobicContact CE1-CB 3.92Å; Y388-P390 HydrophobicContact CE1-CG 4Å; P390-Q393 WeakPolarHBondContact O-CG 3.45Å; P390-V423 HydrophobicContact CB-CG1 4.21Å; P390-V423 HydrophobicContact CG-CG1 4.14Å; P390-T424 CarbonylContact O-C 3.57Å; P390-E425 PolarHBondContact O-N 2.95Å; P390-I428 HydrophobicContact CB-CD1 3.92Å; P390-I428 HydrophobicContact CB-CG1 3.94Å; P390-I428 HydrophobicContact CG-CD1 4.06Å; P390-I428 HydrophobicContact CG-CG1 3.98Å |
| 391 | V | 85.9 | Confident | 91.9 | Very high | 50 Ų | 50 | 60 Ų | 60 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -48.4 | 173.2 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | N389 I428 | N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.8Å; N389-V391 VanDerWaalsContact OD1-CB 3.27Å; N389-V391 WeakPolarHBondContact OD1-CB 3.48Å; N389-V391 PolarHBondContact OD1-N 3.3Å; V391-I428 HydrophobicContact CG2-CD1 3.6Å |
| 392 | Y | 86.5 | Confident | 91.9 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -4.7 | 177.8 | -52.1 | -55.6 | 0 | 0 | 0 | 113.8 | L135 N389 K394 F396 | L135-Y392 HydrophobicContact CD1-CD1 4.2Å; L135-Y392 HydrophobicContact CD1-CE1 3.38Å; L135-Y392 HydrophobicContact CD1-CE2 3.93Å; L135-Y392 WeakPolarHBondContact CD1-OH 3.23Å; L135-Y392 HydrophobicContact CD2-CE2 4.02Å; L135-Y392 HydrophobicContact CG-CE1 4.13Å; L135-Y392 HydrophobicContact CG-CE2 3.78Å; L135-Y392 VanDerWaalsContact CG-CZ 3.47Å; L135-Y392 VanDerWaalsContact CG-OH 3.3Å; L135-Y392 WeakPolarHBondContact CG-OH 3.13Å; N389-Y392 HydrophobicContact CB-CD2 4.24Å; N389-Y392 PolarHBondContact O-N 2.87Å; N389-Y392 PolarHBondContact OD1-N 3.11Å; Y392-K394 PolarHBondContact O-N 3.48Å; Y392-K394 VanDerWaalsContact O-N 3.14Å; Y392-F396 HydrophobicContact CD2-CE2 4.08Å; Y392-F396 HydrophobicContact CD2-CZ 4.03Å; Y392-F396 HydrophobicContact CG-CE2 4.41Å; Y392-F396 HydrophobicContact CG-CZ 4.22Å |
| 393 | Q | 90.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 34.9 | -176.7 | -60.2 | 175.6 | 18.6 | 0 | 0 | 112.9 | Y388 N389 P390 | Y388-Q393 VanDerWaalsContact CE2-C 3.44Å; Y388-Q393 VanDerWaalsContact OH-CA 3.26Å; Y388-Q393 WeakPolarHBondContact OH-CA 3.45Å; Y388-Q393 WeakPolarHBondContact OH-CB 3.28Å; N389-Q393 WeakPolarHBondContact O-CA 3.42Å; N389-Q393 PolarHBondContact O-N 3.26Å; P390-Q393 WeakPolarHBondContact O-CG 3.45Å |
| 394 | K | 93.1 | Very high | 91.2 | Very high | 103 Ų | 103 | 55 Ų | 55 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.7 | -169.9 | -175.9 | 173.1 | 179.3 | -176.9 | 0 | 111.3 | N389 Y392 F396 | N389-K394 PolarHBondContact N-O 3.46Å; N389-K394 PolarHBondContact O-N 3.48Å; Y392-K394 PolarHBondContact O-N 3.48Å; Y392-K394 VanDerWaalsContact O-N 3.14Å; K394-F396 HydrophobicContact CB-CE2 3.95Å; K394-F396 HydrophobicContact CB-CZ 4.32Å; K394-F396 HydrophobicContact CD-CZ 4.49Å; K394-F396 HydrophobicContact CG-CE2 4.32Å; K394-F396 HydrophobicContact CG-CZ 4.49Å; K394-F396 VanDerWaalsContact O-CD2 3.3Å; K394-F396 WeakPolarHBondContact O-CD2 3.41Å; K394-F396 WeakPolarHBondContact O-CE2 3.3Å |
| 395 | C | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.1 | 172.3 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | W386 Y387 E413 C416 M417 | W386-C395 HydrophobicContact CE3-CB 4.07Å; Y387-C395 CarbonylContact O-C 3.5Å; Y387-C395 WeakPolarHBondContact O-CA 3.47Å; C395-E413 HydrophobicContact CB-CG 4.2Å; C395-C416 HydrophobicContact CB-CB 3.83Å; C395-C416 WeakPolarHBondContact CB-SG 3.48Å; C395-C416 WeakPolarHBondContact SG-CB 3.39Å; C395-C416 CovalentContact SG-SG 2.02Å; C395-C416 PolarHBondContact SG-SG 2.89Å; C395-M417 HydrophobicContact CB-CG 4.15Å; C395-M417 HydrophobicContact CB-SD 3.95Å; C395-M417 PolarHBondContact N-SD 3.18Å; C395-M417 VanDerWaalsContact N-SD 3.4Å; C395-M417 PolarHBondContact SG-N 3.16Å; C395-M417 PolarHBondContact SG-SD 2.87Å |
| 396 | F | 93.4 | Very high | 90.1 | Very high | 68 Ų | 68 | 51 Ų | 51 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.2 | 179.1 | -65.1 | -94.7 | 0 | 0 | 0 | 109.9 | W386 Y387 N389 Y392 K394 | W386-F396 CarbonylContact C-O 3.54Å; W386-F396 VanDerWaalsContact CA-O 3.28Å; W386-F396 WeakPolarHBondContact CA-O 3.45Å; Y387-F396 HydrophobicContact CD1-CB 4.13Å; Y387-F396 WeakPolarHBondContact CD1-O 3.46Å; Y387-F396 HydrophobicContact CE1-CB 3.52Å; Y387-F396 PolarHBondContact N-O 3.47Å; Y387-F396 PolarHBondContact O-N 3.44Å; N389-F396 HydrophobicContact CB-CD2 3.92Å; N389-F396 HydrophobicContact CB-CE2 3.86Å; Y392-F396 HydrophobicContact CD2-CE2 4.08Å; Y392-F396 HydrophobicContact CD2-CZ 4.03Å; Y392-F396 HydrophobicContact CG-CE2 4.41Å; Y392-F396 HydrophobicContact CG-CZ 4.22Å; K394-F396 HydrophobicContact CB-CE2 3.95Å; K394-F396 HydrophobicContact CB-CZ 4.32Å; K394-F396 HydrophobicContact CD-CZ 4.49Å; K394-F396 HydrophobicContact CG-CE2 4.32Å; K394-F396 HydrophobicContact CG-CZ 4.49Å; K394-F396 VanDerWaalsContact O-CD2 3.3Å; K394-F396 WeakPolarHBondContact O-CD2 3.41Å; K394-F396 WeakPolarHBondContact O-CE2 3.3Å |
| 397 | R | 93.8 | Very high | 89.9 | Confident | 157 Ų | 157 | 53.4 Ų | 53.4 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 142.3 | 175.1 | -69.9 | 175.4 | 60 | -159.2 | -3.7 | 110.4 | T384 K385 W386 | T384-R397 HydrophobicContact CG2-CG 4.41Å; T384-R397 PolarHBondContact OG1-NH2 2.82Å; T384-R397 VanDerWaalsContact OG1-NH2 3.09Å; K385-R397 CarbonylContact O-C 3.57Å; K385-R397 VanDerWaalsContact O-CA 3.3Å; K385-R397 WeakPolarHBondContact O-CA 3.48Å; W386-R397 HydrophobicContact CD2-CG 3.75Å; W386-R397 HydrophobicContact CE3-CG 3.81Å; W386-R397 HydrophobicContact CH2-CG 3.65Å; W386-R397 HydrophobicContact CZ2-CG 3.54Å; W386-R397 HydrophobicContact CZ3-CG 3.77Å |
| 398 | F | 91.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 164.6 | 167.4 | 79.9 | -71.9 | 0 | 0 | 0 | 110.5 | P374 K385 Y387 R409 | P374-F398 HydrophobicContact CB-CB 4.46Å; P374-F398 HydrophobicContact CB-CD1 4.1Å; P374-F398 HydrophobicContact CB-CD2 3.84Å; P374-F398 HydrophobicContact CB-CE1 4.2Å; P374-F398 HydrophobicContact CB-CE2 3.95Å; P374-F398 HydrophobicContact CB-CG 3.9Å; P374-F398 HydrophobicContact CB-CZ 4.11Å; K385-F398 HydrophobicContact CB-CD1 4.04Å; K385-F398 HydrophobicContact CB-CE1 3.6Å; K385-F398 HydrophobicContact CB-CZ 4.1Å; K385-F398 PolarHBondContact N-O 3.4Å; K385-F398 PolarHBondContact O-N 3.32Å; Y387-F398 HydrophobicContact CD1-CB 4.06Å; Y387-F398 AromaticContact CD1-CD1 3.75Å; Y387-F398 HydrophobicContact CD1-CD1 3.75Å; Y387-F398 HydrophobicContact CD1-CG 4.18Å; Y387-F398 HydrophobicContact CE1-CB 4.26Å; Y387-F398 HydrophobicContact CG-CD1 4.34Å; F398-R409 HydrophobicContact CE1-CB 4.46Å; F398-R409 HydrophobicContact CE1-CG 4.16Å; F398-R409 HydrophobicContact CZ-CB 4.21Å; F398-R409 HydrophobicContact CZ-CG 3.87Å |
| 399 | N | 90.8 | Very high | 89.9 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.2 | 173.2 | -65 | -32.8 | 0 | 0 | 0 | 108.7 | T376 | T376-N399 WeakPolarHBondContact CG2-O 3.42Å; T376-N399 PolarHBondContact OG1-O 2.88Å |
| 400 | Y | 92.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.8 | 175.5 | 170.2 | -117.6 | 0 | 0 | 0 | 110.1 | T376 F383 K385 G402 C403 Y404 R409 | T376-Y400 VanDerWaalsContact O-CD2 3.25Å; T376-Y400 WeakPolarHBondContact O-CD2 3.25Å; F383-Y400 HydrophobicContact CB-CD1 4.35Å; F383-Y400 HydrophobicContact CD2-CD1 4.22Å; F383-Y400 PolarHBondContact N-O 3.47Å; F383-Y400 PolarHBondContact O-N 2.89Å; K385-Y400 HydrophobicContact CG-CD1 4.41Å; K385-Y400 HydrophobicContact CG-CG 4.41Å; Y400-G402 VanDerWaalsContact CE1-CA 3.45Å; Y400-G402 VanDerWaalsContact CZ-C 3.49Å; Y400-G402 PolarHBondContact O-N 3.46Å; Y400-G402 PolarHBondContact OH-O 3.08Å; Y400-C403 WeakPolarHBondContact CE2-O 3.44Å; Y400-C403 WeakPolarHBondContact OH-CA 3.48Å; Y400-C403 PolarHBondContact OH-N 3.34Å; Y400-C403 PolarHBondContact OH-O 3.42Å; Y400-Y404 PolarHBondContact OH-O 2.97Å; Y400-Y404 VanDerWaalsContact OH-O 3.06Å; Y400-R409 PolarHBondContact OH-NH1 3.38Å |
| 401 | G | 89.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -68.6 | -15.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T376 C379 R380 E381 | T376-G401 WeakPolarHBondContact O-CA 3.29Å; T376-G401 PolarHBondContact O-N 3.48Å; C379-G401 CarbonylContact C-O 3.56Å; C379-G401 WeakPolarHBondContact CB-O 3.46Å; C379-G401 CarbonylContact O-C 3.59Å; C379-G401 WeakPolarHBondContact O-CA 3.32Å; R380-G401 PolarHBondContact N-O 3.03Å; E381-G401 WeakPolarHBondContact CB-O 3.28Å; E381-G401 PolarHBondContact N-O 2.86Å; E381-G401 CarbonylContact O-C 3.57Å; E381-G401 VanDerWaalsContact O-CA 3.26Å; E381-G401 WeakPolarHBondContact O-CA 3.47Å | ||
| 402 | G | 89.1 | Confident | 91.2 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 105.3 | -15.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y400 | Y400-G402 VanDerWaalsContact CE1-CA 3.45Å; Y400-G402 VanDerWaalsContact CZ-C 3.49Å; Y400-G402 PolarHBondContact O-N 3.46Å; Y400-G402 PolarHBondContact OH-O 3.08Å |
| 403 | C | 86.8 | Confident | 91.7 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -138.6 | 160.8 | 174.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | C379 Y400 G405 | C379-C403 HydrophobicContact CB-CB 3.93Å; C379-C403 WeakPolarHBondContact CB-SG 3.47Å; C379-C403 PolarHBondContact N-SG 3.31Å; C379-C403 VanDerWaalsContact N-SG 3.43Å; C379-C403 WeakPolarHBondContact SG-CB 3.42Å; C379-C403 CovalentContact SG-SG 2.03Å; C379-C403 PolarHBondContact SG-SG 3.46Å; Y400-C403 WeakPolarHBondContact CE2-O 3.44Å; Y400-C403 WeakPolarHBondContact OH-CA 3.48Å; Y400-C403 PolarHBondContact OH-N 3.34Å; Y400-C403 PolarHBondContact OH-O 3.42Å; C403-G405 PolarHBondContact O-N 3.05Å |
| 404 | Y | 84.2 | Confident | 92 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 55.4 | -130.5 | -175.9 | -51.2 | -71.3 | 0 | 0 | 0 | 112.5 | Y400 R409 | Y400-Y404 PolarHBondContact OH-O 2.97Å; Y400-Y404 VanDerWaalsContact OH-O 3.06Å; Y404-R409 PolarHBondContact O-NH1 2.82Å |
| 405 | G | 83.6 | Confident | 92.1 | Very high | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | 68.8 | -157.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C403 | C403-G405 PolarHBondContact O-N 3.05Š| ||
| 406 | N | 86.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | trans | -138.2 | -175.8 | -172.4 | 58.1 | 5.1 | 0 | 0 | 0 | 113.1 | E372 H373 K375 R409 | E372-N406 VanDerWaalsContact CB-ND2 3.29Å; E372-N406 WeakPolarHBondContact CB-ND2 3.32Å; E372-N406 WeakPolarHBondContact OE1-CB 3.31Å; E372-N406 PolarHBondContact OE1-ND2 3.05Å; E372-N406 WeakPolarHBondContact OE2-CB 3.3Å; H373-N406 PolarHBondContact O-ND2 3.03Å; K375-N406 HydrophobicContact CD-CB 4.41Å; K375-N406 PolarHBondContact N-OD1 3.23Å; N406-R409 WeakPolarHBondContact O-CB 3.23Å | ||
| 407 | E | 90.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -83.9 | -12.7 | -172.3 | -60.7 | -162.9 | -174.7 | 0 | 0 | 114 | R369 R409 | R369-E407 HydrophobicContact CB-CB 4.38Å; R369-E407 HydrophobicContact CG-CB 3.74Å; R369-E407 WeakPolarHBondContact CG-O 3.09Å; R369-E407 PolarHBondContact NE-O 3.17Å; R369-E407 PolarHBondContact NH2-O 2.77Å; E407-R409 PolarHBondContact O-N 3.05Å |
| 408 | N | 92.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -73.5 | 50.1 | 169.8 | -158.8 | 0.9 | 0 | 0 | 0 | 111.9 | R369 C370 E372 Y387 Y388 | R369-N408 WeakPolarHBondContact O-CA 3.45Å; R369-N408 WeakPolarHBondContact O-CB 3.42Å; R369-N408 PolarHBondContact O-N 3.3Å; C370-N408 PolarHBondContact O-ND2 3.02Å; E372-N408 HydrophobicContact CB-CB 4.31Å; E372-N408 PolarHBondContact O-ND2 3.25Å; Y387-N408 WeakPolarHBondContact CA-O 3.38Å; Y387-N408 WeakPolarHBondContact CB-O 3.35Å; Y388-N408 PolarHBondContact N-OD1 3.47Å; Y388-N408 PolarHBondContact O-ND2 3Å |
| 409 | R | 94.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | trans | -140.9 | 120.9 | -174 | -176 | 179.2 | 62.3 | -137 | -2.8 | 108.6 | R369 K385 W386 F398 Y400 Y404 N406 E407 | R369-R409 PolarHBondContact NH2-O 3.49Å; K385-R409 HydrophobicContact CB-CG 3.89Å; K385-R409 HydrophobicContact CD-CG 4.35Å; K385-R409 HydrophobicContact CG-CG 3.88Å; W386-R409 CarbonylContact O-C 3.51Å; W386-R409 WeakPolarHBondContact O-CA 3.37Å; F398-R409 HydrophobicContact CE1-CB 4.46Å; F398-R409 HydrophobicContact CE1-CG 4.16Å; F398-R409 HydrophobicContact CZ-CB 4.21Å; F398-R409 HydrophobicContact CZ-CG 3.87Å; Y400-R409 PolarHBondContact OH-NH1 3.38Å; Y404-R409 PolarHBondContact O-NH1 2.82Å; N406-R409 WeakPolarHBondContact O-CB 3.23Å; E407-R409 PolarHBondContact O-N 3.05Å | ||
| 410 | F | 96.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -132.4 | 151.3 | -175.2 | -58.3 | -94.1 | 0 | 0 | 0 | 110.2 | R369 W386 A415 C416 T419 | R369-F410 VanDerWaalsContact NH2-CE1 3.28Å; W386-F410 HydrophobicContact CB-CB 4.25Å; W386-F410 PolarHBondContact N-O 3.17Å; W386-F410 PolarHBondContact O-N 2.92Å; F410-A415 HydrophobicContact CD1-CB 4.33Å; F410-C416 HydrophobicContact CB-CB 3.77Å; F410-C416 HydrophobicContact CD1-CB 4.21Å; F410-C416 HydrophobicContact CD2-CB 3.57Å; F410-C416 HydrophobicContact CE2-CB 4.18Å; F410-C416 HydrophobicContact CG-CB 3.59Å; F410-T419 HydrophobicContact CE1-CG2 3.97Å; F410-T419 HydrophobicContact CZ-CG2 4.03Å |
| 411 | D | 96.4 | Very high | 92.6 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -79.4 | -25.7 | 178.1 | -62.7 | -51.9 | 0 | 0 | 0 | 112.8 | K385 | K385-D411 IonicContact NZ-OD1 2.65Å; K385-D411 PolarHBondContact NZ-OD1 2.94Å |
| 412 | T | 97.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -136.3 | 153.7 | -177 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | D414 A415 C416 | T412-D414 VanDerWaalsContact C-N 3.35Å; T412-A415 PolarHBondContact O-N 3.11Å; T412-A415 VanDerWaalsContact OG1-CB 3.28Å; T412-A415 WeakPolarHBondContact OG1-CB 3.03Å; T412-A415 PolarHBondContact OG1-N 3.17Å; T412-C416 PolarHBondContact O-N 2.9Å; T412-C416 VanDerWaalsContact O-N 3.17Å |
| 413 | E | 96.7 | Very high | 92.7 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.8 | -168.4 | 171.7 | -173.3 | 0 | 0 | 111.2 | W386 C395 A415 C416 M417 | W386-E413 HydrophobicContact CD2-CB 3.88Å; W386-E413 HydrophobicContact CD2-CG 4.44Å; W386-E413 HydrophobicContact CE3-CB 3.84Å; W386-E413 HydrophobicContact CE3-CG 3.88Å; W386-E413 HydrophobicContact CH2-CB 3.75Å; W386-E413 HydrophobicContact CH2-CG 3.92Å; W386-E413 WeakPolarHBondContact CH2-OE2 3.41Å; W386-E413 HydrophobicContact CZ2-CB 3.82Å; W386-E413 HydrophobicContact CZ2-CG 4.5Å; W386-E413 HydrophobicContact CZ3-CB 3.76Å; W386-E413 VanDerWaalsContact CZ3-CD 3.47Å; W386-E413 HydrophobicContact CZ3-CG 3.59Å; C395-E413 HydrophobicContact CB-CG 4.2Å; E413-A415 PolarHBondContact O-N 3Å; E413-C416 WeakPolarHBondContact O-CB 3.42Å; E413-C416 PolarHBondContact O-N 2.96Å; E413-M417 HydrophobicContact CG-CG 4.24Å; E413-M417 WeakPolarHBondContact O-CB 3.49Å; E413-M417 WeakPolarHBondContact O-CG 3.5Å; E413-M417 PolarHBondContact O-N 2.77Å |
| 414 | D | 96.7 | Very high | 92.8 | Very high | 132 Ų | 132 | 58.7 Ų | 58.7 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62 | -42 | 179.8 | -67.5 | -43 | 0 | 0 | 0 | 112.9 | T412 S418 | T412-D414 VanDerWaalsContact C-N 3.35Å; D414-S418 WeakPolarHBondContact O-CB 3.35Å; D414-S418 PolarHBondContact O-N 2.79Å; D414-S418 PolarHBondContact O-OG 2.94Å |
| 415 | A | 96.8 | Very high | 92.9 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F410 T412 E413 S418 T419 | F410-A415 HydrophobicContact CD1-CB 4.33Å; T412-A415 PolarHBondContact O-N 3.11Å; T412-A415 VanDerWaalsContact OG1-CB 3.28Å; T412-A415 WeakPolarHBondContact OG1-CB 3.03Å; T412-A415 PolarHBondContact OG1-N 3.17Å; E413-A415 PolarHBondContact O-N 3Å; A415-S418 PolarHBondContact O-OG 3.19Å; A415-S418 VanDerWaalsContact O-OG 3.09Å; A415-T419 WeakPolarHBondContact O-CB 3.49Å; A415-T419 PolarHBondContact O-N 3.4Å; A415-T419 PolarHBondContact O-OG1 2.74Å |
| 416 | C | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 176 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | W386 Y387 C395 F410 T412 E413 T419 C420 | W386-C416 HydrophobicContact CB-CB 4.2Å; Y387-C416 VanDerWaalsContact C-SG 3.52Å; C395-C416 HydrophobicContact CB-CB 3.83Å; C395-C416 WeakPolarHBondContact CB-SG 3.48Å; C395-C416 WeakPolarHBondContact SG-CB 3.39Å; C395-C416 CovalentContact SG-SG 2.02Å; C395-C416 PolarHBondContact SG-SG 2.89Å; F410-C416 HydrophobicContact CB-CB 3.77Å; F410-C416 HydrophobicContact CD1-CB 4.21Å; F410-C416 HydrophobicContact CD2-CB 3.57Å; F410-C416 HydrophobicContact CE2-CB 4.18Å; F410-C416 HydrophobicContact CG-CB 3.59Å; T412-C416 PolarHBondContact O-N 2.9Å; T412-C416 VanDerWaalsContact O-N 3.17Å; E413-C416 WeakPolarHBondContact O-CB 3.42Å; E413-C416 PolarHBondContact O-N 2.96Å; C416-T419 PolarHBondContact O-N 3.43Å; C416-C420 WeakPolarHBondContact O-CB 3.45Å; C416-C420 PolarHBondContact O-N 2.97Å |
| 417 | M | 95.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 30% | 0.3 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | -178.7 | -71 | -61.3 | -63.3 | 0 | 0 | 111.9 | Y388 C395 E413 T419 C420 K421 | Y388-M417 HydrophobicContact CD2-SD 4.47Å; Y388-M417 HydrophobicContact CE2-SD 4.38Å; C395-M417 HydrophobicContact CB-CG 4.15Å; C395-M417 HydrophobicContact CB-SD 3.95Å; C395-M417 PolarHBondContact N-SD 3.18Å; C395-M417 VanDerWaalsContact N-SD 3.4Å; C395-M417 PolarHBondContact SG-N 3.16Å; C395-M417 PolarHBondContact SG-SD 2.87Å; E413-M417 HydrophobicContact CG-CG 4.24Å; E413-M417 WeakPolarHBondContact O-CB 3.49Å; E413-M417 WeakPolarHBondContact O-CG 3.5Å; E413-M417 PolarHBondContact O-N 2.77Å; M417-T419 VanDerWaalsContact C-N 3.33Å; M417-T419 PolarHBondContact O-N 3.4Å; M417-C420 PolarHBondContact O-N 3.41Å; M417-K421 VanDerWaalsContact O-CB 3.24Å; M417-K421 WeakPolarHBondContact O-CB 3.43Å; M417-K421 PolarHBondContact O-N 3.4Å; M417-K421 VanDerWaalsContact O-N 3.12Å |
| 418 | S | 94.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 57 Ų | 57 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 179 | 62 | 0 | 0 | 0 | 0 | 112.7 | D414 A415 | D414-S418 WeakPolarHBondContact O-CB 3.35Å; D414-S418 PolarHBondContact O-N 2.79Å; D414-S418 PolarHBondContact O-OG 2.94Å; A415-S418 PolarHBondContact O-OG 3.19Å; A415-S418 VanDerWaalsContact O-OG 3.09Å |
| 419 | T | 94 | Very high | 91.6 | Very high | 38 Ų | 38 | 59 Ų | 59 | 23% | 0.233 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.5 | -44.3 | 174.6 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | Q366 F410 A415 C416 M417 | Q366-T419 PolarHBondContact NE2-O 3Å; F410-T419 HydrophobicContact CE1-CG2 3.97Å; F410-T419 HydrophobicContact CZ-CG2 4.03Å; A415-T419 WeakPolarHBondContact O-CB 3.49Å; A415-T419 PolarHBondContact O-N 3.4Å; A415-T419 PolarHBondContact O-OG1 2.74Å; C416-T419 PolarHBondContact O-N 3.43Å; M417-T419 VanDerWaalsContact C-N 3.33Å; M417-T419 PolarHBondContact O-N 3.4Å |
| 420 | C | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -102.5 | -6.9 | -165.5 | -63.7 | 0 | 0 | 0 | 0 | 116.7 | C370 Y388 C416 M417 L422 V423 | C370-C420 HydrophobicContact CB-CB 3.64Å; C370-C420 WeakPolarHBondContact CB-SG 3.4Å; C370-C420 WeakPolarHBondContact SG-CA 3.47Å; C370-C420 WeakPolarHBondContact SG-CB 3.29Å; C370-C420 CovalentContact SG-SG 2.03Å; C370-C420 PolarHBondContact SG-SG 3Å; Y388-C420 HydrophobicContact CD1-CB 3.5Å; Y388-C420 HydrophobicContact CD2-CB 3.4Å; Y388-C420 VanDerWaalsContact CD2-CB 3.4Å; Y388-C420 HydrophobicContact CE1-CB 3.91Å; Y388-C420 WeakPolarHBondContact CE1-O 3.36Å; Y388-C420 HydrophobicContact CE2-CB 3.83Å; Y388-C420 HydrophobicContact CG-CB 3.2Å; Y388-C420 VanDerWaalsContact CZ-O 3.27Å; Y388-C420 PolarHBondContact OH-O 3.18Å; C416-C420 WeakPolarHBondContact O-CB 3.45Å; C416-C420 PolarHBondContact O-N 2.97Å; M417-C420 PolarHBondContact O-N 3.41Å; C420-L422 PolarHBondContact O-N 3.3Å; C420-V423 WeakPolarHBondContact O-CB 3.15Å; C420-V423 WeakPolarHBondContact O-CG2 3.42Å; C420-V423 PolarHBondContact O-N 2.69Å |
| 421 | K | 90.9 | Very high | 88 | Confident | 135 Ų | 135 | 59 Ų | 59 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -11.9 | -176 | 62 | -179.8 | 179.3 | -177.9 | 0 | 119 | M417 | M417-K421 VanDerWaalsContact O-CB 3.24Å; M417-K421 WeakPolarHBondContact O-CB 3.43Å; M417-K421 PolarHBondContact O-N 3.4Å; M417-K421 VanDerWaalsContact O-N 3.12Å |
| 422 | L | 90.2 | Very high | 85.2 | Confident | 119 Ų | 119 | 57.8 Ų | 57.8 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -2.6 | 179 | -62.1 | -177.5 | 0 | 0 | 0 | 113.3 | C420 | C420-L422 PolarHBondContact O-N 3.3Š|
| 423 | V | 90.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -98.1 | 134.8 | -173.6 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | K367 C370 T371 Y388 P390 C420 D427 | K367-V423 HydrophobicContact CG-CG2 4.06Å; C370-V423 HydrophobicContact CB-CB 4.08Å; C370-V423 HydrophobicContact CB-CG1 4.09Å; C370-V423 HydrophobicContact CB-CG2 3.79Å; T371-V423 HydrophobicContact CG2-CG1 3.61Å; Y388-V423 HydrophobicContact CE1-CB 3.98Å; Y388-V423 WeakPolarHBondContact CE1-O 3.46Å; Y388-V423 PolarHBondContact OH-O 2.84Å; P390-V423 HydrophobicContact CB-CG1 4.21Å; P390-V423 HydrophobicContact CG-CG1 4.14Å; C420-V423 WeakPolarHBondContact O-CB 3.15Å; C420-V423 WeakPolarHBondContact O-CG2 3.42Å; C420-V423 PolarHBondContact O-N 2.69Å; V423-D427 HydrophobicContact CG1-CB 4.19Å | ||
| 424 | T | 89.4 | Confident | 79 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | trans | -133.5 | 168.8 | -170.7 | 65.1 | 0 | 0 | 0 | 0 | 112 | P390 K426 D427 | P390-T424 CarbonylContact O-C 3.57Å; T424-K426 PolarHBondContact O-N 3.26Å; T424-K426 PolarHBondContact OG1-N 3.04Å; T424-D427 PolarHBondContact N-OD2 3.42Å; T424-D427 WeakPolarHBondContact O-CB 3.21Å; T424-D427 PolarHBondContact O-N 3.35Å; T424-D427 PolarHBondContact OG1-OD2 3.42Å | ||
| 425 | E | 84.7 | Confident | 75.9 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -44 | -28 | 167.4 | 71.8 | -174.5 | -178.2 | 0 | 0 | 114.2 | R40 P390 D427 I428 | R40-E425 PolarHBondContact NH1-O 2.93Å; P390-E425 PolarHBondContact O-N 2.95Å; E425-D427 PolarHBondContact O-N 2.89Å; E425-I428 PolarHBondContact O-N 2.83Å |
| 426 | K | 84.5 | Confident | 72.7 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -77.5 | -12 | -179.2 | -62 | 177 | -178.1 | 169.9 | 0 | 112.8 | R113 T424 | R113-K426 VanDerWaalsContact CD-O 3.28Å; R113-K426 WeakPolarHBondContact CD-O 3.18Å; R113-K426 PolarHBondContact NE-O 3.36Å; R113-K426 PolarHBondContact NH1-O 3.15Å; T424-K426 PolarHBondContact O-N 3.26Å; T424-K426 PolarHBondContact OG1-N 3.04Å |
| 427 | D | 85.4 | Confident | 69.7 | Low | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -104.2 | -7.5 | 178.8 | -49.4 | -69.5 | 0 | 0 | 0 | 112.2 | F43 R113 K367 T371 V423 T424 E425 | F43-D427 WeakPolarHBondContact CE1-O 3.43Å; R113-D427 WeakPolarHBondContact CD-OD1 3.17Å; R113-D427 IonicContact CZ-OD1 3.95Å; R113-D427 IonicContact NE-OD1 3.88Å; R113-D427 IonicContact NH1-OD1 2.69Å; R113-D427 PolarHBondContact NH1-OD1 2.87Å; K367-D427 HydrophobicContact CD-CB 4.36Å; K367-D427 IonicContact NZ-OD1 2.77Å; K367-D427 PolarHBondContact NZ-OD1 3.28Å; K367-D427 IonicContact NZ-OD2 3.95Å; T371-D427 HydrophobicContact CG2-CB 4.27Å; T371-D427 WeakPolarHBondContact CG2-O 3.49Å; V423-D427 HydrophobicContact CG1-CB 4.19Å; T424-D427 PolarHBondContact N-OD2 3.42Å; T424-D427 WeakPolarHBondContact O-CB 3.21Å; T424-D427 PolarHBondContact O-N 3.35Å; T424-D427 PolarHBondContact OG1-OD2 3.42Å; E425-D427 PolarHBondContact O-N 2.89Å |
| 428 | I | 80.4 | Confident | 66.5 | Low | 11 Ų | 11 | 86.7 Ų | 86.7 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -77.3 | 136.4 | 172.3 | -48.6 | 178.6 | 0 | 0 | 0 | 110.1 | R40 F43 P390 V391 E425 E430 | R40-I428 PolarHBondContact NH1-O 2.82Å; F43-I428 VanDerWaalsContact CZ-O 3.29Å; F43-I428 WeakPolarHBondContact CZ-O 3.27Å; P390-I428 HydrophobicContact CB-CD1 3.92Å; P390-I428 HydrophobicContact CB-CG1 3.94Å; P390-I428 HydrophobicContact CG-CD1 4.06Å; P390-I428 HydrophobicContact CG-CG1 3.98Å; V391-I428 HydrophobicContact CG2-CD1 3.6Å; E425-I428 PolarHBondContact O-N 2.83Å; I428-E430 HydrophobicContact CG2-CB 4.26Å; I428-E430 HydrophobicContact CG2-CG 3.77Å; I428-E430 PolarHBondContact O-N 2.68Å |
| 429 | F | 75.6 | Confident | 63.4 | Low | 41 Ų | 41 | 89.8 Ų | 89.8 | 18% | 0.18 | 42% | 0.415 | C | S | . | . | trans | -86.1 | 56.7 | 168.3 | -171.2 | -103.6 | 0 | 0 | 0 | 111.3 | R40 F43 F111 N119 I121 I431 | R40-F429 HydrophobicContact CB-CD2 3.97Å; R40-F429 HydrophobicContact CB-CE2 3.88Å; F43-F429 HydrophobicContact CB-CD2 3.7Å; F43-F429 HydrophobicContact CB-CE2 3.94Å; F43-F429 HydrophobicContact CD1-CB 3.84Å; F43-F429 AromaticContact CD1-CD2 3.61Å; F43-F429 HydrophobicContact CD1-CD2 3.61Å; F43-F429 HydrophobicContact CD1-CG 4.17Å; F43-F429 HydrophobicContact CD2-CD2 4.15Å; F43-F429 HydrophobicContact CE1-CB 3.85Å; F43-F429 HydrophobicContact CE1-CD2 4.25Å; F43-F429 AromaticContact CG-CD2 3.56Å; F43-F429 HydrophobicContact CG-CD2 3.56Å; F43-F429 HydrophobicContact CG-CE2 4.24Å; F111-F429 HydrophobicContact CB-CB 3.74Å; F111-F429 HydrophobicContact CB-CD1 3.79Å; F111-F429 HydrophobicContact CB-CD2 3.63Å; F111-F429 HydrophobicContact CB-CE1 4.3Å; F111-F429 HydrophobicContact CB-CE2 4.14Å; F111-F429 HydrophobicContact CB-CG 3.42Å; F111-F429 VanDerWaalsContact CB-CG 3.42Å; F111-F429 HydrophobicContact CB-CZ 4.44Å; F111-F429 HydrophobicContact CD1-CE2 4.36Å; F111-F429 HydrophobicContact CD1-CZ 4.38Å; F111-F429 AromaticContact CD2-CD1 3.34Å; F111-F429 HydrophobicContact CD2-CD1 3.34Å; F111-F429 HydrophobicContact CD2-CD2 4.3Å; F111-F429 AromaticContact CD2-CE1 3.2Å; F111-F429 HydrophobicContact CD2-CE1 3.2Å; F111-F429 HydrophobicContact CD2-CE2 4.17Å; F111-F429 AromaticContact CD2-CG 3.91Å; F111-F429 HydrophobicContact CD2-CG 3.91Å; F111-F429 AromaticContact CD2-CZ 3.64Å; F111-F429 HydrophobicContact CD2-CZ 3.64Å; F111-F429 HydrophobicContact CE2-CD1 4.13Å; F111-F429 AromaticContact CE2-CE1 3.52Å; F111-F429 HydrophobicContact CE2-CE1 3.52Å; F111-F429 AromaticContact CE2-CZ 3.81Å; F111-F429 HydrophobicContact CE2-CZ 3.81Å; F111-F429 AromaticContact CG-CD1 3.83Å; F111-F429 HydrophobicContact CG-CD1 3.83Å; F111-F429 AromaticContact CG-CD2 3.98Å; F111-F429 HydrophobicContact CG-CD2 3.98Å; F111-F429 AromaticContact CG-CE1 3.85Å; F111-F429 HydrophobicContact CG-CE1 3.85Å; F111-F429 AromaticContact CG-CE2 3.98Å; F111-F429 HydrophobicContact CG-CE2 3.98Å; F111-F429 AromaticContact CG-CG 3.9Å; F111-F429 HydrophobicContact CG-CG 3.9Å; F111-F429 AromaticContact CG-CZ 3.91Å; F111-F429 HydrophobicContact CG-CZ 3.91Å; F111-F429 HydrophobicContact CZ-CE1 4.42Å; F111-F429 HydrophobicContact CZ-CZ 4.29Å; N119-F429 VanDerWaalsContact OD1-CE2 3.3Å; N119-F429 WeakPolarHBondContact OD1-CE2 3.3Å; N119-F429 VanDerWaalsContact OD1-CZ 3.23Å; N119-F429 WeakPolarHBondContact OD1-CZ 3.37Å; I121-F429 HydrophobicContact CD1-CE1 3.74Å; I121-F429 HydrophobicContact CD1-CZ 3.89Å; F429-I431 HydrophobicContact CE1-CD1 3.89Å; F429-I431 HydrophobicContact CE1-CG1 3.88Å; F429-I431 HydrophobicContact CZ-CD1 3.94Å; F429-I431 HydrophobicContact CZ-CG1 3.92Å | ||
| 430 | E | 65.5 | Low | 60.7 | Low | 62 Ų | 62 | 92.4 Ų | 92.4 | 29% | 0.29 | 43% | 0.431 | S | S | . | . | trans | -81.5 | 116.1 | 164.6 | -85.9 | 166.4 | -145.7 | 0 | 0 | 107.6 | I428 T432 | I428-E430 HydrophobicContact CG2-CB 4.26Å; I428-E430 HydrophobicContact CG2-CG 3.77Å; I428-E430 PolarHBondContact O-N 2.68Å; E430-T432 PolarHBondContact O-N 3.38Å | ||
| 431 | I | 51.5 | Low | 58.1 | Low | 20 Ų | 20 | 98.7 Ų | 98.7 | 10% | 0.103 | 47% | 0.465 | C | S | . | . | trans | -76 | 80.3 | 163.1 | -48.8 | 172.3 | 0 | 0 | 0 | 106 | I121 Y126 L130 F429 N433 | I121-I431 HydrophobicContact CD1-CD1 4.01Å; Y126-I431 HydrophobicContact CD2-CD1 4.1Å; Y126-I431 HydrophobicContact CE2-CB 3.97Å; Y126-I431 HydrophobicContact CE2-CD1 4.14Å; Y126-I431 HydrophobicContact CE2-CG2 3.83Å; L130-I431 HydrophobicContact CD1-CB 3.9Å; L130-I431 HydrophobicContact CD1-CG1 4.5Å; F429-I431 HydrophobicContact CE1-CD1 3.89Å; F429-I431 HydrophobicContact CE1-CG1 3.88Å; F429-I431 HydrophobicContact CZ-CD1 3.94Å; F429-I431 HydrophobicContact CZ-CG1 3.92Å; I431-N433 PolarHBondContact O-N 3.02Å | ||
| 432 | T | 36 | Very low | 55.8 | Low | 91 Ų | 91 | 94.6 Ų | 94.6 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | trans | -57.5 | 107.5 | 167.7 | 41.2 | 0 | 0 | 0 | 0 | 108 | E430 R434 | E430-T432 PolarHBondContact O-N 3.38Å; T432-R434 PolarHBondContact O-N 3.48Å | ||
| 433 | N | 32.4 | Very low | 53.8 | Low | 103 Ų | 103 | 95.1 Ų | 95.1 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | trans | -40.8 | 115.1 | 157 | -135.1 | -43.5 | 0 | 0 | 0 | 107.3 | Y126 I431 Y435 | Y126-N433 PolarHBondContact OH-ND2 2.98Å; I431-N433 PolarHBondContact O-N 3.02Å; N433-Y435 VanDerWaalsContact C-N 3.26Å; N433-Y435 PolarHBondContact O-N 3.13Å | ||
| 434 | R | 33.4 | Very low | 52 | Low | 191 Ų | 191 | 99.2 Ų | 99.2 | 72% | 0.721 | 49% | 0.485 | S | S | * | . | trans | -69.2 | 85.3 | -172.9 | -77.7 | -170.9 | -175.2 | -169.7 | 6.8 | 109.6 | T432 E436 | T432-R434 PolarHBondContact O-N 3.48Å; R434-E436 HydrophobicContact CB-CG 4.33Å; R434-E436 WeakPolarHBondContact CD-OE1 3.23Å; R434-E436 IonicContact CZ-OE1 3.34Å; R434-E436 IonicContact NE-OE1 2.7Å; R434-E436 IonicContact NH1-OE1 3.93Å; R434-E436 PolarHBondContact NH1-OE1 3.14Å; R434-E436 PolarHBondContact O-N 3.06Å | ||
| 435 | Y | 30.9 | Very low | 50.2 | Low | 211 Ų | 211 | 99.2 Ų | 99.2 | 83% | 0.827 | 49% | 0.492 | S | S | * | . | -65.2 | 82.4 | 129.2 | -66.3 | -68.9 | 0 | 0 | 0 | 106.6 | N433 Y437 | N433-Y435 VanDerWaalsContact C-N 3.26Å; N433-Y435 PolarHBondContact O-N 3.13Å; Y435-Y437 VanDerWaalsContact C-N 3.26Å; Y435-Y437 PolarHBondContact O-N 2.96Å | |||
| 436 | E | 29.7 | Very low | 49 | Very low | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | trans | -53.2 | 106.6 | 150.4 | -90 | 172.1 | -163.9 | 0 | 0 | 105.6 | R434 Q438 | R434-E436 HydrophobicContact CB-CG 4.33Å; R434-E436 WeakPolarHBondContact CD-OE1 3.23Å; R434-E436 IonicContact CZ-OE1 3.34Å; R434-E436 IonicContact NE-OE1 2.7Å; R434-E436 IonicContact NH1-OE1 3.93Å; R434-E436 PolarHBondContact NH1-OE1 3.14Å; R434-E436 PolarHBondContact O-N 3.06Å; E436-Q438 PolarHBondContact O-N 3.2Å | ||
| 437 | Y | 33 | Very low | 47.8 | Very low | 208 Ų | 208 | 100 Ų | 100 | 82% | 0.816 | 50% | 0.503 | S | S | * | . | trans | -64.7 | 82.7 | 153 | -164.4 | -84.9 | 0 | 0 | 0 | 105 | Y435 D439 | Y435-Y437 VanDerWaalsContact C-N 3.26Å; Y435-Y437 PolarHBondContact O-N 2.96Å; Y437-D439 PolarHBondContact O-N 3.43Å | ||
| 438 | Q | 28 | Very low | 46.9 | Very low | 155 Ų | 155 | 103.4 Ų | 103.4 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | trans | -64.8 | 105.3 | -174.4 | -170.2 | 172.8 | 8.6 | 0 | 0 | 106.4 | E436 T440 | E436-Q438 PolarHBondContact O-N 3.2Å; Q438-T440 PolarHBondContact O-N 2.89Å | ||
| 439 | D | 30 | Very low | 46.4 | Very low | 136 Ų | 136 | 107.7 Ų | 107.7 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | trans | -52.6 | 135.6 | -176.2 | -165.5 | 7 | 0 | 0 | 0 | 109.3 | Y437 D441 | Y437-D439 PolarHBondContact O-N 3.43Å; D439-D441 VanDerWaalsContact C-N 3.33Å; D439-D441 PolarHBondContact O-N 3.33Å | ||
| 440 | T | 37.9 | Very low | 46.3 | Very low | 93 Ų | 93 | 108.5 Ų | 108.5 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -79.8 | 73.7 | -150.9 | 49 | 0 | 0 | 0 | 0 | 113.1 | Q438 | Q438-T440 PolarHBondContact O-N 2.89Š|
| 441 | D | 39.8 | Very low | 46.8 | Very low | 132 Ų | 132 | 108.3 Ų | 108.3 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | trans | -108.7 | -5.8 | 175.4 | -147.4 | 16.3 | 0 | 0 | 0 | 113.6 | D439 | D439-D441 VanDerWaalsContact C-N 3.33Å; D439-D441 PolarHBondContact O-N 3.33Å | ||
| 442 | G | 42.3 | Very low | 48.2 | Very low | 50 Ų | 50 | 112.5 Ų | 112.5 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.1 | -26.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G445 I446 | G442-G445 PolarHBondContact O-N 2.89Å; G442-I446 WeakPolarHBondContact O-CG1 3.32Å; G442-I446 PolarHBondContact O-N 2.88Å |
| 443 | H | 48.5 | Very low | 50.4 | Low | 130 Ų | 130 | 113.2 Ų | 113.2 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.2 | -32.5 | -176 | -91.5 | 60.4 | 0 | 0 | 0 | 113.1 | I446 I447 | H443-I446 PolarHBondContact O-N 3.37Å; H443-I447 WeakPolarHBondContact O-CB 3.5Å; H443-I447 WeakPolarHBondContact O-CD1 3.37Å; H443-I447 WeakPolarHBondContact O-CG1 3.48Å; H443-I447 PolarHBondContact O-N 3.43Å |
| 444 | V | 53.2 | Low | 52.9 | Low | 87 Ų | 87 | 109.7 Ų | 109.7 | 53% | 0.527 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.4 | -44.6 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | I447 V448 | V444-I447 PolarHBondContact O-N 3.41Å; V444-V448 HydrophobicContact CG1-CG2 4.4Å; V444-V448 WeakPolarHBondContact O-CB 3.36Å; V444-V448 VanDerWaalsContact O-CG2 3.25Å; V444-V448 WeakPolarHBondContact O-CG2 3.43Å; V444-V448 PolarHBondContact O-N 2.91Å |
| 445 | G | 52.2 | Low | 55.5 | Low | 35 Ų | 35 | 105.5 Ų | 105.5 | 36% | 0.361 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G442 V448 I449 | G442-G445 PolarHBondContact O-N 2.89Å; G445-V448 PolarHBondContact O-N 3.01Å; G445-I449 WeakPolarHBondContact O-CB 3.29Å; G445-I449 VanDerWaalsContact O-CG1 3.27Å; G445-I449 WeakPolarHBondContact O-CG1 3.38Å; G445-I449 PolarHBondContact O-N 3.44Å |
| 446 | I | 58.3 | Low | 58 | Low | 116 Ų | 116 | 98 Ų | 98 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 179.8 | -65.4 | 172 | 0 | 0 | 0 | 111.3 | G442 H443 I449 A450 | G442-I446 WeakPolarHBondContact O-CG1 3.32Å; G442-I446 PolarHBondContact O-N 2.88Å; H443-I446 PolarHBondContact O-N 3.37Å; I446-I449 PolarHBondContact O-N 2.96Å; I446-A450 VanDerWaalsContact O-CB 3.25Å; I446-A450 WeakPolarHBondContact O-CB 3.35Å; I446-A450 PolarHBondContact O-N 3.15Å |
| 447 | I | 59.7 | Low | 60.9 | Low | 110 Ų | 110 | 97.5 Ų | 97.5 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 177.1 | -69.4 | 166.7 | 0 | 0 | 0 | 110.9 | H443 V444 A450 A451 | H443-I447 WeakPolarHBondContact O-CB 3.5Å; H443-I447 WeakPolarHBondContact O-CD1 3.37Å; H443-I447 WeakPolarHBondContact O-CG1 3.48Å; H443-I447 PolarHBondContact O-N 3.43Å; V444-I447 PolarHBondContact O-N 3.41Å; I447-A450 PolarHBondContact O-N 3.03Å; I447-A451 VanDerWaalsContact O-CB 3.24Å; I447-A451 WeakPolarHBondContact O-CB 3.38Å; I447-A451 PolarHBondContact O-N 3.1Å |
| 448 | V | 65.9 | Low | 63.5 | Low | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176.7 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | V444 G445 A451 L452 | V444-V448 HydrophobicContact CG1-CG2 4.4Å; V444-V448 WeakPolarHBondContact O-CB 3.36Å; V444-V448 VanDerWaalsContact O-CG2 3.25Å; V444-V448 WeakPolarHBondContact O-CG2 3.43Å; V444-V448 PolarHBondContact O-N 2.91Å; G445-V448 PolarHBondContact O-N 3.01Å; V448-A451 PolarHBondContact O-N 3.09Å; V448-L452 HydrophobicContact CG1-CD1 3.87Å; V448-L452 HydrophobicContact CG1-CG 4.43Å; V448-L452 WeakPolarHBondContact O-CB 3.45Å; V448-L452 VanDerWaalsContact O-CG 3.25Å; V448-L452 WeakPolarHBondContact O-CG 3.1Å; V448-L452 PolarHBondContact O-N 3.1Å |
| 449 | I | 70.4 | Confident | 66.4 | Low | 102 Ų | 102 | 90 Ų | 90 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177 | -68.8 | 166 | 0 | 0 | 0 | 110.9 | G445 I446 A451 L452 L453 | G445-I449 WeakPolarHBondContact O-CB 3.29Å; G445-I449 VanDerWaalsContact O-CG1 3.27Å; G445-I449 WeakPolarHBondContact O-CG1 3.38Å; G445-I449 PolarHBondContact O-N 3.44Å; I446-I449 PolarHBondContact O-N 2.96Å; I449-A451 PolarHBondContact O-N 2.74Å; I449-L452 PolarHBondContact O-N 3.23Å; I449-L453 HydrophobicContact CG2-CD1 3.88Å; I449-L453 HydrophobicContact CG2-CG 4.39Å; I449-L453 WeakPolarHBondContact O-CB 3.37Å; I449-L453 WeakPolarHBondContact O-CG 3.3Å; I449-L453 PolarHBondContact O-N 2.91Å |
| 450 | A | 74.1 | Confident | 69.2 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I446 I447 G454 | I446-A450 VanDerWaalsContact O-CB 3.25Å; I446-A450 WeakPolarHBondContact O-CB 3.35Å; I446-A450 PolarHBondContact O-N 3.15Å; I447-A450 PolarHBondContact O-N 3.03Å; A450-G454 PolarHBondContact O-N 3.21Å |
| 451 | A | 75.8 | Confident | 71.6 | Confident | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I447 V448 I449 G454 L455 | I447-A451 VanDerWaalsContact O-CB 3.24Å; I447-A451 WeakPolarHBondContact O-CB 3.38Å; I447-A451 PolarHBondContact O-N 3.1Å; V448-A451 PolarHBondContact O-N 3.09Å; I449-A451 PolarHBondContact O-N 2.74Å; A451-G454 PolarHBondContact O-N 3.45Å; A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 PolarHBondContact O-N 3.18Å |
| 452 | L | 79.8 | Confident | 74 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 176.5 | -72.8 | 170.6 | 0 | 0 | 0 | 112.3 | V448 I449 L455 A456 | V448-L452 HydrophobicContact CG1-CD1 3.87Å; V448-L452 HydrophobicContact CG1-CG 4.43Å; V448-L452 WeakPolarHBondContact O-CB 3.45Å; V448-L452 VanDerWaalsContact O-CG 3.25Å; V448-L452 WeakPolarHBondContact O-CG 3.1Å; V448-L452 PolarHBondContact O-N 3.1Å; I449-L452 PolarHBondContact O-N 3.23Å; L452-L455 PolarHBondContact O-N 3.45Å; L452-A456 WeakPolarHBondContact O-CB 3.37Å; L452-A456 PolarHBondContact O-N 3.38Å |
| 453 | L | 82.4 | Confident | 76.1 | Confident | 105 Ų | 105 | 88.5 Ų | 88.5 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174 | -71.8 | 170.9 | 0 | 0 | 0 | 111.5 | I449 A456 I457 | I449-L453 HydrophobicContact CG2-CD1 3.88Å; I449-L453 HydrophobicContact CG2-CG 4.39Å; I449-L453 WeakPolarHBondContact O-CB 3.37Å; I449-L453 WeakPolarHBondContact O-CG 3.3Å; I449-L453 PolarHBondContact O-N 2.91Å; L453-A456 PolarHBondContact O-N 2.94Å; L453-I457 WeakPolarHBondContact O-CB 3.1Å; L453-I457 VanDerWaalsContact O-CG1 3.26Å; L453-I457 WeakPolarHBondContact O-CG1 3.28Å; L453-I457 PolarHBondContact O-N 3.05Å |
| 454 | G | 85.2 | Confident | 77.9 | Confident | 30 Ų | 30 | 87 Ų | 87 | 31% | 0.309 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A450 A451 I457 I458 | A450-G454 PolarHBondContact O-N 3.21Å; A451-G454 PolarHBondContact O-N 3.45Å; G454-I457 PolarHBondContact O-N 3.23Å; G454-I458 VanDerWaalsContact O-CG1 3.28Å; G454-I458 WeakPolarHBondContact O-CG1 3.24Å; G454-I458 PolarHBondContact O-N 3.12Å |
| 455 | L | 88.3 | Confident | 79.3 | Confident | 102 Ų | 102 | 86.9 Ų | 86.9 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.6 | -109.4 | 161.6 | 0 | 0 | 0 | 112.1 | A451 L452 I457 I458 I459 | A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 PolarHBondContact O-N 3.18Å; L452-L455 PolarHBondContact O-N 3.45Å; L455-I457 PolarHBondContact O-N 3.25Å; L455-I458 PolarHBondContact O-N 2.76Å; L455-I459 HydrophobicContact CD2-CD1 4.3Å; L455-I459 VanDerWaalsContact O-CG1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.11Å; L455-I459 PolarHBondContact O-N 3.26Å |
| 456 | A | 84 | Confident | 80.7 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L452 L453 I459 L460 | L452-A456 WeakPolarHBondContact O-CB 3.37Å; L452-A456 PolarHBondContact O-N 3.38Å; L453-A456 PolarHBondContact O-N 2.94Å; A456-I459 PolarHBondContact O-N 2.04Å; A456-L460 WeakPolarHBondContact O-CB 3.05Å; A456-L460 PolarHBondContact O-N 2.88Å |
| 457 | I | 89.2 | Confident | 81.7 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.4 | -69 | 164.3 | 0 | 0 | 0 | 110.9 | L453 G454 L455 I459 L460 L461 | L453-I457 WeakPolarHBondContact O-CB 3.1Å; L453-I457 VanDerWaalsContact O-CG1 3.26Å; L453-I457 WeakPolarHBondContact O-CG1 3.28Å; L453-I457 PolarHBondContact O-N 3.05Å; G454-I457 PolarHBondContact O-N 3.23Å; L455-I457 PolarHBondContact O-N 3.25Å; I457-I459 PolarHBondContact O-N 3.48Å; I457-L460 PolarHBondContact O-N 2.61Å; I457-L461 HydrophobicContact CG2-CD1 3.99Å; I457-L461 HydrophobicContact CG2-CG 4.36Å; I457-L461 WeakPolarHBondContact O-CB 3.39Å; I457-L461 WeakPolarHBondContact O-CG 3.17Å; I457-L461 PolarHBondContact O-N 2.75Å |
| 458 | I | 89 | Confident | 82.5 | Confident | 104 Ų | 104 | 91.4 Ų | 91.4 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.9 | -70.1 | 165.2 | 0 | 0 | 0 | 110.8 | G454 L455 L460 L461 V462 | G454-I458 VanDerWaalsContact O-CG1 3.28Å; G454-I458 WeakPolarHBondContact O-CG1 3.24Å; G454-I458 PolarHBondContact O-N 3.12Å; L455-I458 PolarHBondContact O-N 2.76Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.74Å; I458-L461 PolarHBondContact O-N 3.12Å; I458-V462 HydrophobicContact CG2-CG2 4.48Å; I458-V462 VanDerWaalsContact O-CG2 3.32Å; I458-V462 WeakPolarHBondContact O-CG2 3.48Å; I458-V462 PolarHBondContact O-N 2.85Å |
| 459 | I | 88.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.9 | -68.5 | 165.3 | 0 | 0 | 0 | 110.4 | L455 A456 I457 V462 V463 | L455-I459 HydrophobicContact CD2-CD1 4.3Å; L455-I459 VanDerWaalsContact O-CG1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.11Å; L455-I459 PolarHBondContact O-N 3.26Å; A456-I459 PolarHBondContact O-N 2.04Å; I457-I459 PolarHBondContact O-N 3.48Å; I459-V462 PolarHBondContact O-N 3.12Å; I459-V463 HydrophobicContact CG2-CG2 4.48Å; I459-V463 WeakPolarHBondContact O-CG2 3.4Å; I459-V463 PolarHBondContact O-N 3.34Å |
| 460 | L | 88 | Confident | 82.8 | Confident | 107 Ų | 107 | 95 Ų | 95 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | -179.9 | -155.1 | 155.1 | 0 | 0 | 0 | 111.5 | A456 I457 I458 V463 L464 | A456-L460 WeakPolarHBondContact O-CB 3.05Å; A456-L460 PolarHBondContact O-N 2.88Å; I457-L460 PolarHBondContact O-N 2.61Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.74Å; L460-V463 PolarHBondContact O-N 2.04Å; L460-L464 HydrophobicContact CD2-CD1 3.6Å; L460-L464 HydrophobicContact CD2-CG 4.03Å; L460-L464 WeakPolarHBondContact O-CB 3.22Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 2.99Å |
| 461 | L | 89.8 | Confident | 82.1 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 172.9 | -71.7 | 173.9 | 0 | 0 | 0 | 112.7 | I457 I458 L464 C465 | I457-L461 HydrophobicContact CG2-CD1 3.99Å; I457-L461 HydrophobicContact CG2-CG 4.36Å; I457-L461 WeakPolarHBondContact O-CB 3.39Å; I457-L461 WeakPolarHBondContact O-CG 3.17Å; I457-L461 PolarHBondContact O-N 2.75Å; I458-L461 PolarHBondContact O-N 3.12Å; L461-L464 PolarHBondContact O-N 3.33Å; L461-C465 WeakPolarHBondContact O-CB 3.05Å; L461-C465 PolarHBondContact O-N 2.99Å |
| 462 | V | 89.1 | Confident | 81.2 | Confident | 93 Ų | 93 | 97 Ų | 97 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 174.4 | 169.1 | 0 | 0 | 0 | 0 | 111 | I458 I459 C465 Y466 | I458-V462 HydrophobicContact CG2-CG2 4.48Å; I458-V462 VanDerWaalsContact O-CG2 3.32Å; I458-V462 WeakPolarHBondContact O-CG2 3.48Å; I458-V462 PolarHBondContact O-N 2.85Å; I459-V462 PolarHBondContact O-N 3.12Å; V462-C465 PolarHBondContact O-N 3.17Å; V462-Y466 VanDerWaalsContact O-CB 3.31Å; V462-Y466 WeakPolarHBondContact O-CB 3.47Å; V462-Y466 PolarHBondContact O-N 3.35Å |
| 463 | V | 87.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | I459 L460 Y466 C467 | I459-V463 HydrophobicContact CG2-CG2 4.48Å; I459-V463 WeakPolarHBondContact O-CG2 3.4Å; I459-V463 PolarHBondContact O-N 3.34Å; L460-V463 PolarHBondContact O-N 2.04Å; V463-Y466 PolarHBondContact O-N 3.48Å; V463-C467 WeakPolarHBondContact O-CB 3.34Å; V463-C467 PolarHBondContact O-N 3.03Å; V463-C467 PolarHBondContact O-SG 3.23Å; V463-C467 VanDerWaalsContact O-SG 3.35Å |
| 464 | L | 86.1 | Confident | 78.3 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 175.7 | -73.7 | 174.2 | 0 | 0 | 0 | 112 | L460 L461 C467 F468 | L460-L464 HydrophobicContact CD2-CD1 3.6Å; L460-L464 HydrophobicContact CD2-CG 4.03Å; L460-L464 WeakPolarHBondContact O-CB 3.22Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 2.99Å; L461-L464 PolarHBondContact O-N 3.33Å; L464-C467 PolarHBondContact O-N 2.73Å; L464-F468 WeakPolarHBondContact O-CB 3.07Å; L464-F468 PolarHBondContact O-N 3.14Å |
| 465 | C | 81.9 | Confident | 76.5 | Confident | 84 Ų | 84 | 109.8 Ų | 109.8 | 57% | 0.568 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -42.6 | 173.3 | -95.4 | 0 | 0 | 0 | 0 | 112.1 | L461 V462 F468 M469 | L461-C465 WeakPolarHBondContact O-CB 3.05Å; L461-C465 PolarHBondContact O-N 2.99Å; V462-C465 PolarHBondContact O-N 3.17Å; C465-F468 PolarHBondContact O-N 3.2Å; C465-M469 VanDerWaalsContact O-CB 3.3Å; C465-M469 WeakPolarHBondContact O-CB 3.04Å; C465-M469 WeakPolarHBondContact O-CG 3.46Å; C465-M469 PolarHBondContact O-N 3.21Å |
| 466 | Y | 81.6 | Confident | 74.4 | Confident | 150 Ų | 150 | 110.7 Ų | 110.7 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.5 | -45.8 | 176 | 176.9 | -94.1 | 0 | 0 | 0 | 111.6 | V462 V463 F468 M469 K470 | V462-Y466 VanDerWaalsContact O-CB 3.31Å; V462-Y466 WeakPolarHBondContact O-CB 3.47Å; V462-Y466 PolarHBondContact O-N 3.35Å; V463-Y466 PolarHBondContact O-N 3.48Å; Y466-F468 PolarHBondContact O-N 3.23Å; Y466-M469 PolarHBondContact O-N 2.81Å; Y466-K470 HydrophobicContact CE1-CD 4.13Å; Y466-K470 VanDerWaalsContact O-CB 3.28Å; Y466-K470 WeakPolarHBondContact O-CB 3.08Å; Y466-K470 PolarHBondContact O-N 3.31Å |
| 467 | C | 79.8 | Confident | 72.4 | Confident | 70 Ų | 70 | 119.3 Ų | 119.3 | 47% | 0.473 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.8 | -42.4 | 174.6 | -74.5 | 0 | 0 | 0 | 0 | 112 | V463 L464 K470 G471 | V463-C467 WeakPolarHBondContact O-CB 3.34Å; V463-C467 PolarHBondContact O-N 3.03Å; V463-C467 PolarHBondContact O-SG 3.23Å; V463-C467 VanDerWaalsContact O-SG 3.35Å; L464-C467 PolarHBondContact O-N 2.73Å; C467-K470 PolarHBondContact O-N 3.05Å; C467-G471 PolarHBondContact O-N 2.81Å |
| 468 | F | 76.1 | Confident | 70.1 | Confident | 137 Ų | 137 | 126.2 Ų | 126.2 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -41.2 | 177.5 | -168 | -104.1 | 0 | 0 | 0 | 112.5 | L464 C465 Y466 K470 G471 K472 | L464-F468 WeakPolarHBondContact O-CB 3.07Å; L464-F468 PolarHBondContact O-N 3.14Å; C465-F468 PolarHBondContact O-N 3.2Å; Y466-F468 PolarHBondContact O-N 3.23Å; F468-K470 VanDerWaalsContact C-N 3.34Å; F468-G471 PolarHBondContact O-N 2.75Å; F468-K472 HydrophobicContact CD1-CD 4.48Å; F468-K472 HydrophobicContact CE1-CD 4.08Å; F468-K472 PolarHBondContact O-N 3.04Å |
| 469 | M | 74.4 | Confident | 67.7 | Low | 131 Ų | 131 | 129 Ų | 129 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.9 | -35.6 | 174.1 | -73.1 | -72.8 | -79.4 | 0 | 0 | 112.1 | C465 Y466 K473 | C465-M469 VanDerWaalsContact O-CB 3.3Å; C465-M469 WeakPolarHBondContact O-CB 3.04Å; C465-M469 WeakPolarHBondContact O-CG 3.46Å; C465-M469 PolarHBondContact O-N 3.21Å; Y466-M469 PolarHBondContact O-N 2.81Å; M469-K473 PolarHBondContact O-N 2.03Å |
| 470 | K | 68.9 | Low | 65 | Low | 120 Ų | 120 | 133.5 Ų | 133.5 | 52% | 0.522 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.4 | -42.5 | 173.7 | -167.3 | 174.3 | 179.2 | -178.8 | 0 | 111.4 | Y466 C467 F468 K473 | Y466-K470 HydrophobicContact CE1-CD 4.13Å; Y466-K470 VanDerWaalsContact O-CB 3.28Å; Y466-K470 WeakPolarHBondContact O-CB 3.08Å; Y466-K470 PolarHBondContact O-N 3.31Å; C467-K470 PolarHBondContact O-N 3.05Å; F468-K470 VanDerWaalsContact C-N 3.34Å; K470-K473 WeakPolarHBondContact O-CA 3.24Å; K470-K473 VanDerWaalsContact O-CB 3.27Å; K470-K473 WeakPolarHBondContact O-CB 3.3Å; K470-K473 PolarHBondContact O-N 3.36Å |
| 471 | G | 57.7 | Low | 62.5 | Low | 35 Ų | 35 | 134.4 Ų | 134.4 | 36% | 0.361 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.3 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C467 F468 K473 E474 Q475 | C467-G471 PolarHBondContact O-N 2.81Å; F468-G471 PolarHBondContact O-N 2.75Å; G471-K473 PolarHBondContact O-N 3.25Å; G471-E474 PolarHBondContact O-N 2.85Å; G471-E474 VanDerWaalsContact O-N 3.17Å; G471-Q475 PolarHBondContact O-N 2.88Å |
| 472 | K | 58.4 | Low | 60.4 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -61.4 | -26 | 171.7 | -84.4 | -172.3 | 171.5 | -178.6 | 0 | 113.4 | F468 E474 T476 | F468-K472 HydrophobicContact CD1-CD 4.48Å; F468-K472 HydrophobicContact CE1-CD 4.08Å; F468-K472 PolarHBondContact O-N 3.04Å; K472-E474 VanDerWaalsContact C-N 3.33Å; K472-T476 PolarHBondContact O-OG1 3.08Å |
| 473 | K | 51.1 | Low | 57.9 | Low | 184 Ų | 184 | 135.9 Ų | 135.9 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.2 | -22.5 | 177.8 | -125 | 175.2 | -175.6 | 178.6 | 0 | 113.4 | M469 K470 G471 | M469-K473 PolarHBondContact O-N 2.03Å; K470-K473 WeakPolarHBondContact O-CA 3.24Å; K470-K473 VanDerWaalsContact O-CB 3.27Å; K470-K473 WeakPolarHBondContact O-CB 3.3Å; K470-K473 PolarHBondContact O-N 3.36Å; G471-K473 PolarHBondContact O-N 3.25Å |
| 474 | E | 50.5 | Low | 55.3 | Low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -94.2 | -28.8 | 177.1 | -68.9 | -174.8 | 162 | 0 | 0 | 113.4 | G471 K472 T476 | G471-E474 PolarHBondContact O-N 2.85Å; G471-E474 VanDerWaalsContact O-N 3.17Å; K472-E474 VanDerWaalsContact C-N 3.33Å; E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.38Å |
| 475 | Q | 47.1 | Very low | 52.8 | Low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.7 | -11.3 | 179.9 | -92.5 | -178.9 | -26.1 | 0 | 0 | 115.5 | G471 R477 | G471-Q475 PolarHBondContact O-N 2.88Å; Q475-R477 PolarHBondContact O-N 2.53Å; Q475-R477 VanDerWaalsContact O-N 3.14Å |
| 476 | T | 43.9 | Very low | 50.5 | Low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -86.5 | 27.6 | -175 | -39.7 | 0 | 0 | 0 | 0 | 113.8 | K472 E474 | K472-T476 PolarHBondContact O-OG1 3.08Å; E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.38Å |
| 477 | R | 42.8 | Very low | 48.3 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -138.9 | 62.2 | 178.3 | -104.8 | -171.1 | 176.4 | -174 | -0.1 | 113.8 | Q475 | Q475-R477 PolarHBondContact O-N 2.53Å; Q475-R477 VanDerWaalsContact O-N 3.14Å | ||
| 478 | R | 39.6 | Very low | 46.1 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | trans | -163.8 | 159.1 | 150.2 | -108.2 | 162.1 | -160.8 | -157.2 | 5.3 | 113 | ||||
| 479 | Q | 38.5 | Very low | 44.1 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -154.7 | 162.8 | -157.3 | -115 | -166.6 | 43.6 | 0 | 0 | 109.2 | ||||
| 480 | R | 32.9 | Very low | 42.3 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -162 | 141.9 | 6.1 | -155.1 | -171.5 | -169.9 | 157.4 | -2.5 | 108.3 | ||||
| 481 | V | 35.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 65.1 | 154.6 | 143.9 | 144.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 482 | P | 44.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -141.3 | 164.9 | -28.7 | 40.7 | -22.1 | 0 | 0 | 0 | 117.7 | ||||
| 483 | V | 37.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 156.8 Ų | 156.8 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | 42.5 | 121.1 | 132.9 | -177.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 484 | N | 31.8 | Very low | 38.3 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -176.5 | 153.1 | 106.6 | -121.5 | -19.1 | 0 | 0 | 0 | 114.2 | |||||
| 485 | G | 33.2 | Very low | 37.9 | Very low | 69 Ų | 69 | 154.5 Ų | 154.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 130.4 | 101.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 486 | S | 33.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -33.5 | 132 | 162.8 | 43 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 487 | Q | 35.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 160.3 Ų | 160.3 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 66.8 | 117.8 | 83.8 | -84.7 | -158.3 | -12.4 | 0 | 0 | 118.3 | |||||
| 488 | V | 35.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 156 Ų | 156 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -151.2 | 151.2 | 142.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 489 | Y | 33.3 | Very low | 36.8 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 175.2 | 178.5 | -73.2 | -117.9 | 0 | 0 | 0 | 113.2 | ||||
| 490 | T | 36.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -162.5 | -177.8 | 38.9 | 33.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 491 | R | 37 | Very low | 37.2 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | cis | 178.4 | 129.5 | -34.2 | 175.6 | -172.7 | 161.1 | 169.5 | -0.1 | 109.7 | ||||
| 492 | E | 39 | Very low | 37.4 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 59% | 0.593 | 79% | 0.79 | S | S | * | * | trans | 63.7 | 134 | 159.8 | -76.8 | 158.5 | -143.6 | 0 | 0 | 119.7 | ||||
| 493 | D | 37.1 | Very low | 37.3 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | 72.9 | 147.9 | 68.2 | -69.7 | -33.4 | 0 | 0 | 0 | 113.4 | |||||
| 494 | T | 39.2 | Very low | 37.1 | Very low | 121 Ų | 121 | 154.9 Ų | 154.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | cis | -155.5 | 177.8 | 10.6 | -3.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 495 | E | 41.8 | Very low | 38.2 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -45 | 160.7 | 172.5 | -49.8 | 169.4 | 144.1 | 0 | 0 | 118.4 | ||||
| 496 | R | 36.8 | Very low | 38.6 | Very low | 249 Ų | 249 | 160.1 Ų | 160.1 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | -168.9 | 140.5 | 120.8 | -107.5 | 171.9 | -171.4 | -155.7 | 0.9 | 115.8 | |||||
| 497 | L | 41.4 | Very low | 38.8 | Very low | 162 Ų | 162 | 162.5 Ų | 162.5 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 166.5 | 161.9 | -69.5 | 153.7 | 0 | 0 | 0 | 110.8 | ||||
| 498 | V | 34.2 | Very low | 39 | Very low | 145 Ų | 145 | 161.7 Ų | 161.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | 179 | 142.3 | 129.9 | 145.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 499 | Y | 38.1 | Very low | 39.2 | Very low | 217 Ų | 217 | 162.5 Ų | 162.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -71.5 | 165.5 | 173.9 | -81.3 | -105.7 | 0 | 0 | 0 | 113 | ||||
| 500 | N | 37.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -150 | 144 | 153.4 | -144.3 | -2 | 0 | 0 | 0 | 113.8 | ||||
| 501 | T | 42.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 161.9 Ų | 161.9 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 133.9 | 178.3 | 42.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 502 | T | 40.4 | Very low | 39.9 | Very low | 127 Ų | 127 | 160.1 Ų | 160.1 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | 64.6 | 147.9 | 167.6 | 23.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 503 | T | 41.3 | Very low | 40 | Very low | 130 Ų | 130 | 162.5 Ų | 162.5 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | cis | -157.3 | 167.7 | 27.9 | -20 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 504 | K | 34.7 | Very low | 40.2 | Very low | 192 Ų | 192 | 164.2 Ų | 164.2 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -43.6 | 178.3 | 162.5 | -107.4 | -179.5 | 177.1 | -178.7 | 0 | 116 | ||||
| 505 | P | 54.9 | Low | 40.3 | Very low | 105 Ų | 105 | 167.8 Ų | 167.8 | 68% | 0.682 | 85% | 0.85 | S | S | * | * | cis | -136 | -179.9 | -9.2 | 39.8 | -22.3 | 0 | 0 | 0 | 115.1 | ||||
| 506 | I | 40 | Very low | 40.2 | Very low | 240 Ų | 240 | 167 Ų | 167 | 100% | 1.231 | 85% | 0.852 | S | S | * | * | -160 | 0 | 116.5 | -95.2 | 161.6 | 0 | 0 | 0 | 107.5 |
Retrieved 506 of 506 residues in 1194 ms
(Link to these results)