| 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 | 39 | Very low | 35.7 | Very low | 241 Ų | 241 | 102.5 Ų | 102.5 | 100% | 1.187 | 63% | 0.628 | S | S | * | * | 0 | 1.7 | 0 | -72.2 | -131.5 | -86.2 | 0 | 0 | 114.7 | |||||
| 2 | G | 35.5 | Very low | 35.6 | Very low | 63 Ų | 63 | 103.7 Ų | 103.7 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | -90.8 | -21.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | C | 28.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -82.7 | -25.9 | -173.9 | -76 | 0 | 0 | 0 | 0 | 115 | I7 | C3-I7 WeakPolarHBondContact O-CG1 3.45Å; C3-I7 PolarHBondContact O-N 3.49Å |
| 4 | L | 33 | Very low | 35.2 | Very low | 148 Ų | 148 | 98.8 Ų | 98.8 | 78% | 0.775 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.2 | -28.8 | -179.4 | -80.4 | 158.1 | 0 | 0 | 0 | 112.6 | A8 | L4-A8 PolarHBondContact O-N 3.04Å |
| 5 | A | 35.4 | Very low | 35.1 | Very low | 58 Ų | 58 | 102.6 Ų | 102.6 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72 | -33.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 | A5-L9 PolarHBondContact O-N 3.06Å |
| 6 | G | 31.1 | Very low | 34.9 | Very low | 33 Ų | 33 | 103.1 Ų | 103.1 | 34% | 0.34 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L10 | G6-L10 WeakPolarHBondContact O-CB 3.47Å; G6-L10 WeakPolarHBondContact O-CD1 3.47Å; G6-L10 PolarHBondContact O-N 3.43Å |
| 7 | I | 39.9 | Very low | 34.5 | Very low | 113 Ų | 113 | 100.5 Ų | 100.5 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.1 | -32.1 | 179.3 | -63.5 | 169.2 | 0 | 0 | 0 | 111.5 | C3 S11 | C3-I7 WeakPolarHBondContact O-CG1 3.45Å; C3-I7 PolarHBondContact O-N 3.49Å; I7-S11 WeakPolarHBondContact O-CB 3.48Å; I7-S11 PolarHBondContact O-N 3.2Å; I7-S11 PolarHBondContact O-OG 2.96Å |
| 8 | A | 39 | Very low | 34.1 | Very low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.2 | -34.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L4 S11 L12 | L4-A8 PolarHBondContact O-N 3.04Å; A8-S11 WeakPolarHBondContact CA-OG 3.48Å; A8-S11 PolarHBondContact O-OG 3.12Å; A8-S11 VanDerWaalsContact O-OG 3.13Å; A8-L12 PolarHBondContact O-N 3.13Å; A8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 37.7 | Very low | 34 | Very low | 131 Ų | 131 | 101.8 Ų | 101.8 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.8 | -35.8 | 174.7 | -85.1 | 155.7 | 0 | 0 | 0 | 112.5 | A5 G13 | A5-L9 PolarHBondContact O-N 3.06Å; L9-G13 PolarHBondContact O-N 2.99Å |
| 10 | L | 36.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 100.8 Ų | 100.8 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.1 | -36.7 | 174.4 | -85.1 | 156.5 | 0 | 0 | 0 | 112.4 | G6 G13 V14 | G6-L10 WeakPolarHBondContact O-CB 3.47Å; G6-L10 WeakPolarHBondContact O-CD1 3.47Å; G6-L10 PolarHBondContact O-N 3.43Å; L10-G13 PolarHBondContact O-N 3.39Å; L10-V14 VanDerWaalsContact O-CG2 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 3.04Å |
| 11 | S | 36.3 | Very low | 33.4 | Very low | 55 Ų | 55 | 102.4 Ų | 102.4 | 39% | 0.385 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -38.5 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | I7 A8 V14 F15 | I7-S11 WeakPolarHBondContact O-CB 3.48Å; I7-S11 PolarHBondContact O-N 3.2Å; I7-S11 PolarHBondContact O-OG 2.96Å; A8-S11 WeakPolarHBondContact CA-OG 3.48Å; A8-S11 PolarHBondContact O-OG 3.12Å; A8-S11 VanDerWaalsContact O-OG 3.13Å; S11-V14 PolarHBondContact O-N 3.02Å; S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.22Å; S11-F15 PolarHBondContact O-N 3.48Å |
| 12 | L | 34.9 | Very low | 33 | Very low | 116 Ų | 116 | 95.1 Ų | 95.1 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 170.9 | -121.2 | 80.4 | 0 | 0 | 0 | 112.2 | A8 F15 L16 | A8-L12 PolarHBondContact O-N 3.13Å; A8-L12 VanDerWaalsContact O-N 3.12Å; L12-F15 PolarHBondContact O-N 3.21Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.33Å |
| 13 | G | 31 | Very low | 33.1 | Very low | 38 Ų | 38 | 96.3 Ų | 96.3 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L9 L10 A17 | L9-G13 PolarHBondContact O-N 2.99Å; L10-G13 PolarHBondContact O-N 3.39Å; G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.28Å; G13-A17 PolarHBondContact O-N 2.88Å |
| 14 | V | 35.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 97.9 Ų | 97.9 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.6 | -34.3 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 112 | L10 S11 G18 | L10-V14 VanDerWaalsContact O-CG2 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.35Å; L10-V14 PolarHBondContact O-N 3.04Å; S11-V14 PolarHBondContact O-N 3.02Å; V14-G18 PolarHBondContact O-N 2.79Å |
| 15 | F | 33 | Very low | 33.6 | Very low | 156 Ų | 156 | 93.8 Ų | 93.8 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.8 | -32 | 173 | -88.1 | -75.7 | 0 | 0 | 0 | 113.1 | S11 L12 R19 | S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.22Å; S11-F15 PolarHBondContact O-N 3.48Å; L12-F15 PolarHBondContact O-N 3.21Å; F15-R19 WeakPolarHBondContact O-CG 3.23Å; F15-R19 PolarHBondContact O-N 2.79Å |
| 16 | L | 31.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 94.6 Ų | 94.6 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.4 | -43.5 | 172 | -84.8 | 151.6 | 0 | 0 | 0 | 111.8 | L12 G18 R19 V20 | L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.33Å; L16-G18 PolarHBondContact O-N 2.63Å; L16-R19 PolarHBondContact O-N 2.78Å; L16-R19 VanDerWaalsContact O-N 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.35Å; L16-V20 PolarHBondContact O-N 3.05Å |
| 17 | A | 28.6 | Very low | 35.7 | Very low | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G13 R19 V20 N21 | G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.28Å; G13-A17 PolarHBondContact O-N 2.88Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.05Å; A17-V20 PolarHBondContact O-N 3.04Å; A17-N21 PolarHBondContact O-N 3.26Å |
| 18 | G | 27.1 | Very low | 37.1 | Very low | 49 Ų | 49 | 92.3 Ų | 92.3 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -28.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V14 L16 | V14-G18 PolarHBondContact O-N 2.79Å; L16-G18 PolarHBondContact O-N 2.63Å |
| 19 | R | 32.6 | Very low | 39.4 | Very low | 177 Ų | 177 | 92.6 Ų | 92.6 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.1 | -34.9 | 173.2 | -78.8 | -176 | 178 | -168.2 | 1.7 | 112.8 | F15 L16 A17 C22 | F15-R19 WeakPolarHBondContact O-CG 3.23Å; F15-R19 PolarHBondContact O-N 2.79Å; L16-R19 PolarHBondContact O-N 2.78Å; L16-R19 VanDerWaalsContact O-N 3.17Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.05Å; R19-C22 PolarHBondContact O-N 2.86Å |
| 20 | V | 29.9 | Very low | 41.9 | Very low | 82 Ų | 82 | 87 Ų | 87 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -37.9 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | L16 A17 C22 Q23 | L16-V20 WeakPolarHBondContact O-CG2 3.35Å; L16-V20 PolarHBondContact O-N 3.05Å; A17-V20 PolarHBondContact O-N 3.04Å; V20-C22 PolarHBondContact O-N 2.99Å; V20-Q23 PolarHBondContact O-N 2.91Å; V20-Q23 VanDerWaalsContact O-N 3.17Å |
| 21 | N | 25.5 | Very low | 44.6 | Very low | 134 Ų | 134 | 81.6 Ų | 81.6 | 72% | 0.717 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.8 | -17.4 | 177.7 | -136.1 | 45.7 | 0 | 0 | 0 | 113.6 | A17 | A17-N21 PolarHBondContact O-N 3.26Å |
| 22 | C | 30 | Very low | 47.3 | Very low | 89 Ų | 89 | 79.4 Ų | 79.4 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -85.4 | -15.7 | 174.6 | -136.2 | 0 | 0 | 0 | 0 | 112.8 | R19 V20 | R19-C22 PolarHBondContact O-N 2.86Å; V20-C22 PolarHBondContact O-N 2.99Å |
| 23 | Q | 37.3 | Very low | 50.1 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -80.5 | -31.4 | 175.8 | -77.7 | -176.1 | -21.1 | 0 | 0 | 112.6 | V20 G25 K26 | V20-Q23 PolarHBondContact O-N 2.91Å; V20-Q23 VanDerWaalsContact O-N 3.17Å; Q23-G25 PolarHBondContact O-N 3.22Å; Q23-G25 VanDerWaalsContact O-N 3.14Å; Q23-K26 PolarHBondContact O-N 2.89Å; Q23-K26 VanDerWaalsContact O-N 3.16Å |
| 24 | H | 35.3 | Very low | 53.2 | Low | 142 Ų | 142 | 78.5 Ų | 78.5 | 66% | 0.657 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.8 | 177.7 | -103.7 | 71.4 | 0 | 0 | 0 | 113.7 | ||
| 25 | G | 37.6 | Very low | 56.1 | Low | 61 Ų | 61 | 76 Ų | 76 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q23 | Q23-G25 PolarHBondContact O-N 3.22Å; Q23-G25 VanDerWaalsContact O-N 3.14Å |
| 26 | K | 54.1 | Low | 59 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -107 | -5 | -169.8 | -69.9 | -167.9 | 175.9 | -167.6 | 0 | 116.2 | Q23 N28 V29 | Q23-K26 PolarHBondContact O-N 2.89Å; Q23-K26 VanDerWaalsContact O-N 3.16Å; K26-N28 PolarHBondContact O-N 3.21Å; K26-V29 PolarHBondContact O-N 2.87Å |
| 27 | N | 57.6 | Low | 62 | Low | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.6 | 177 | -75.6 | -2.1 | 0 | 0 | 0 | 113.2 | V29 E473 R604 | N27-V29 VanDerWaalsContact C-N 3.29Å; N27-V29 PolarHBondContact O-N 3.48Å; N27-E473 PolarHBondContact ND2-OE1 2.58Å; N27-R604 PolarHBondContact O-NH2 3.34Å |
| 28 | N | 68.9 | Low | 65.1 | Low | 65 Ų | 65 | 73.6 Ų | 73.6 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.7 | 175.1 | -85.2 | -15.8 | 0 | 0 | 0 | 113.9 | K26 K424 | K26-N28 PolarHBondContact O-N 3.21Å; N28-K424 PolarHBondContact O-NZ 3.07Å |
| 29 | V | 86.1 | Confident | 68.4 | Low | 58 Ų | 58 | 71.2 Ų | 71.2 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -88.3 | 136.8 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | K26 N27 R31 Q603 R604 | K26-V29 PolarHBondContact O-N 2.87Å; N27-V29 VanDerWaalsContact C-N 3.29Å; N27-V29 PolarHBondContact O-N 3.48Å; V29-R31 PolarHBondContact O-N 3.24Å; V29-Q603 HydrophobicContact CG1-CB 3.84Å; V29-R604 PolarHBondContact O-NE 3.16Å; V29-R604 PolarHBondContact O-NH2 3.43Å; V29-R604 VanDerWaalsContact O-NH2 3.14Å |
| 30 | P | 91.6 | Very high | 71.2 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -62.2 | 133.8 | 175.9 | 25.7 | -33.5 | 0 | 0 | 0 | 110.4 | L32 L476 E479 Q603 | P30-L32 VanDerWaalsContact C-N 3.32Å; P30-L32 PolarHBondContact O-N 3.14Å; P30-L476 WeakPolarHBondContact CA-O 3.48Å; P30-L476 HydrophobicContact CB-CD2 3.74Å; P30-L476 HydrophobicContact CB-CG 3.79Å; P30-L476 HydrophobicContact CG-CD2 4.17Å; P30-E479 HydrophobicContact CB-CB 3.82Å; P30-E479 HydrophobicContact CG-CB 3.9Å; P30-Q603 VanDerWaalsContact O-CB 3.3Å; P30-Q603 WeakPolarHBondContact O-CB 3.33Å | ||
| 31 | R | 92.4 | Very high | 74.2 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 5% | 0.045 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -57.9 | -49.7 | 172.9 | -176.9 | -167.7 | -179.8 | 72.6 | 20.2 | 109.4 | V29 L476 L477 L529 S602 Q603 E654 | V29-R31 PolarHBondContact O-N 3.24Å; R31-L476 PolarHBondContact N-O 2.68Å; R31-L477 VanDerWaalsContact CB-O 3.31Å; R31-L477 WeakPolarHBondContact CB-O 3.34Å; R31-L477 PolarHBondContact N-O 3.41Å; R31-L529 VanDerWaalsContact CZ-C 3.42Å; R31-L529 VanDerWaalsContact CZ-O 3.27Å; R31-L529 PolarHBondContact NH1-O 2.83Å; R31-L529 VanDerWaalsContact NH2-CB 3.25Å; R31-S602 CarbonylContact O-C 3.59Å; R31-S602 WeakPolarHBondContact O-CA 3.38Å; R31-Q603 PolarHBondContact O-N 3.39Å; R31-E654 IonicContact CZ-OE1 2.72Å; R31-E654 IonicContact CZ-OE2 2.93Å; R31-E654 VanDerWaalsContact CZ-OE2 3.24Å; R31-E654 IonicContact NH1-OE1 3.47Å; R31-E654 PolarHBondContact NH1-OE1 2.95Å; R31-E654 IonicContact NH1-OE2 3.76Å; R31-E654 PolarHBondContact NH1-OE2 3.17Å; R31-E654 VanDerWaalsContact NH1-OE2 3.08Å; R31-E654 IonicContact NH2-OE1 3.64Å; R31-E654 IonicContact NH2-OE2 3.55Å; R31-E654 PolarHBondContact NH2-OE2 2.92Å |
| 32 | L | 93.8 | Very high | 77.3 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.9 | 175.4 | -61.8 | -177.8 | 0 | 0 | 0 | 111.5 | P30 L477 E478 E479 V519 Y520 K601 | P30-L32 VanDerWaalsContact C-N 3.32Å; P30-L32 PolarHBondContact O-N 3.14Å; L32-L477 PolarHBondContact N-O 3.47Å; L32-E478 CarbonylContact O-C 3.59Å; L32-E478 VanDerWaalsContact O-CA 3.26Å; L32-E478 WeakPolarHBondContact O-CA 3.47Å; L32-E479 PolarHBondContact O-N 3.03Å; L32-V519 HydrophobicContact CD1-CB 4.44Å; L32-V519 HydrophobicContact CD1-CG2 3.52Å; L32-Y520 HydrophobicContact CD1-CD1 3.46Å; L32-Y520 VanDerWaalsContact CD1-CD1 3.46Å; L32-Y520 HydrophobicContact CD1-CE1 3.56Å; L32-Y520 HydrophobicContact CD1-CG 4.38Å; L32-Y520 HydrophobicContact CG-CD1 4.18Å; L32-Y520 HydrophobicContact CG-CE1 4.15Å; L32-K601 HydrophobicContact CD2-CB 4.07Å; L32-K601 WeakPolarHBondContact CD2-O 3.25Å |
| 33 | K | 94.1 | Very high | 80.2 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.5 | 169.7 | -176.6 | 164.4 | 176.7 | 144.2 | 0 | 108.6 | E479 Q603 | K33-E479 WeakPolarHBondContact CA-O 3.29Å; K33-E479 WeakPolarHBondContact CE-OE1 3.34Å; K33-E479 HydrophobicContact CG-CB 4.47Å; K33-E479 IonicContact NZ-OE1 2.58Å; K33-E479 PolarHBondContact NZ-OE1 3.21Å; K33-Q603 HydrophobicContact CB-CG 4.4Å |
| 34 | L | 94.8 | Very high | 82.8 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.6 | -174.1 | -60.3 | 176.3 | 0 | 0 | 0 | 109.6 | M39 E479 M480 T481 | L34-M39 HydrophobicContact CB-CG 3.99Å; L34-M39 HydrophobicContact CB-SD 3.7Å; L34-M39 HydrophobicContact CD1-SD 3.62Å; L34-M39 HydrophobicContact CG-SD 4.28Å; L34-E479 PolarHBondContact N-O 3.15Å; L34-M480 HydrophobicContact CB-CG 4.35Å; L34-M480 HydrophobicContact CD1-CG 4.11Å; L34-T481 PolarHBondContact O-N 3.15Å |
| 35 | S | 95.3 | Very high | 85.6 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | trans | -69.7 | 159.8 | 174.3 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | K37 E38 M39 | S35-K37 PolarHBondContact O-N 3.1Å; S35-E38 WeakPolarHBondContact CB-OE2 3.31Å; S35-E38 PolarHBondContact N-OE2 3.31Å; S35-E38 PolarHBondContact O-N 3.37Å; S35-E38 VanDerWaalsContact OG-CD 3.31Å; S35-E38 WeakPolarHBondContact OG-CG 3.37Å; S35-E38 PolarHBondContact OG-N 3.43Å; S35-E38 PolarHBondContact OG-OE2 3.23Å; S35-M39 WeakPolarHBondContact O-CG 3.27Å; S35-M39 PolarHBondContact O-N 2.9Å | ||
| 36 | Y | 94.9 | Very high | 88.4 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -37.5 | 176.1 | -179.5 | -96.5 | 0 | 0 | 0 | 112.4 | L40 N47 V482 R484 | Y36-L40 HydrophobicContact CE1-CD2 4.47Å; Y36-L40 WeakPolarHBondContact O-CB 3.47Å; Y36-L40 PolarHBondContact O-N 2.89Å; Y36-L40 VanDerWaalsContact O-N 3.09Å; Y36-N47 WeakPolarHBondContact CE2-ND2 3.42Å; Y36-N47 PolarHBondContact OH-ND2 2.85Å; Y36-V482 WeakPolarHBondContact CE2-O 3.23Å; Y36-R484 HydrophobicContact CD1-CB 4.15Å; Y36-R484 HydrophobicContact CD1-CG 4.37Å; Y36-R484 HydrophobicContact CE1-CB 3.89Å; Y36-R484 HydrophobicContact CE1-CG 4.27Å; Y36-R484 HydrophobicContact CE2-CB 4.27Å; Y36-R484 HydrophobicContact CG-CB 4.49Å |
| 37 | K | 95.2 | Very high | 90.3 | Very high | 135 Ų | 135 | 54.7 Ų | 54.7 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 179.3 | -177 | -178.3 | 170.2 | -172 | 0 | 111.1 | S35 M39 L40 E41 | S35-K37 PolarHBondContact O-N 3.1Å; K37-M39 PolarHBondContact O-N 2.82Å; K37-L40 PolarHBondContact O-N 3.21Å; K37-E41 WeakPolarHBondContact CE-OE1 3.39Å; K37-E41 HydrophobicContact CG-CG 4.42Å; K37-E41 IonicContact NZ-OE1 3.66Å; K37-E41 WeakPolarHBondContact O-CB 3.24Å; K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 3.01Å |
| 38 | E | 93.6 | Very high | 92.2 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.3 | -69.8 | 161.2 | 140.1 | 0 | 0 | 111.8 | S35 L40 E41 S42 | S35-E38 WeakPolarHBondContact CB-OE2 3.31Å; S35-E38 PolarHBondContact N-OE2 3.31Å; S35-E38 PolarHBondContact O-N 3.37Å; S35-E38 VanDerWaalsContact OG-CD 3.31Å; S35-E38 WeakPolarHBondContact OG-CG 3.37Å; S35-E38 PolarHBondContact OG-N 3.43Å; S35-E38 PolarHBondContact OG-OE2 3.23Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.89Å; E38-E41 PolarHBondContact O-N 3.47Å; E38-S42 WeakPolarHBondContact O-CB 3.36Å; E38-S42 PolarHBondContact O-N 3.3Å; E38-S42 PolarHBondContact O-OG 2.84Å |
| 39 | M | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -40 | 176 | -69.9 | -63.3 | -67.7 | 0 | 0 | 111.8 | L34 S35 K37 S42 N44 I45 M480 | L34-M39 HydrophobicContact CB-CG 3.99Å; L34-M39 HydrophobicContact CB-SD 3.7Å; L34-M39 HydrophobicContact CD1-SD 3.62Å; L34-M39 HydrophobicContact CG-SD 4.28Å; S35-M39 WeakPolarHBondContact O-CG 3.27Å; S35-M39 PolarHBondContact O-N 2.9Å; K37-M39 PolarHBondContact O-N 2.82Å; M39-S42 PolarHBondContact O-OG 3.14Å; M39-N44 HydrophobicContact CE-CB 3.84Å; M39-N44 WeakPolarHBondContact CE-O 3.29Å; M39-N44 PolarHBondContact O-N 2.81Å; M39-N44 HydrophobicContact SD-CB 4.19Å; M39-I45 HydrophobicContact CB-CB 4.27Å; M39-I45 HydrophobicContact CB-CG2 3.8Å; M39-I45 HydrophobicContact CE-CB 4.4Å; M39-I45 PolarHBondContact O-N 3Å; M39-M480 HydrophobicContact CE-CB 4.29Å; M39-M480 HydrophobicContact CE-CG 4.2Å; M39-M480 HydrophobicContact CE-SD 4Å; M39-M480 HydrophobicContact SD-CB 4.31Å; M39-M480 HydrophobicContact SD-CG 4.05Å; M39-M480 HydrophobicContact SD-SD 4.46Å |
| 40 | L | 93.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 55 Ų | 55 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.2 | -45.5 | 178.4 | -170.4 | 69.9 | 0 | 0 | 0 | 112.3 | Y36 K37 E38 S42 N43 I45 | Y36-L40 HydrophobicContact CE1-CD2 4.47Å; Y36-L40 WeakPolarHBondContact O-CB 3.47Å; Y36-L40 PolarHBondContact O-N 2.89Å; Y36-L40 VanDerWaalsContact O-N 3.09Å; K37-L40 PolarHBondContact O-N 3.21Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 2.89Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.72Å; L40-N43 PolarHBondContact O-N 3.2Å; L40-I45 HydrophobicContact CD1-CG2 4.48Å |
| 41 | E | 92.7 | Very high | 93.7 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.5 | -30.9 | -178.9 | -73.2 | 175 | 169 | 0 | 0 | 112.5 | K37 E38 N43 | K37-E41 WeakPolarHBondContact CE-OE1 3.39Å; K37-E41 HydrophobicContact CG-CG 4.42Å; K37-E41 IonicContact NZ-OE1 3.66Å; K37-E41 WeakPolarHBondContact O-CB 3.24Å; K37-E41 WeakPolarHBondContact O-CG 3.48Å; K37-E41 PolarHBondContact O-N 3.01Å; E38-E41 PolarHBondContact O-N 3.47Å; E41-N43 VanDerWaalsContact C-N 3.32Å |
| 42 | S | 89 | Confident | 93.6 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 6.2 | 176.7 | 59 | 0 | 0 | 0 | 0 | 114.3 | E38 M39 L40 N44 | E38-S42 WeakPolarHBondContact O-CB 3.36Å; E38-S42 PolarHBondContact O-N 3.3Å; E38-S42 PolarHBondContact O-OG 2.84Å; M39-S42 PolarHBondContact O-OG 3.14Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.72Å; S42-N44 VanDerWaalsContact CB-ND2 3.29Å; S42-N44 WeakPolarHBondContact CB-ND2 3.37Å; S42-N44 PolarHBondContact O-N 3.5Å; S42-N44 VanDerWaalsContact O-N 3.1Å; S42-N44 PolarHBondContact OG-ND2 3.47Å |
| 43 | N | 91 | Very high | 93.3 | Very high | 142 Ų | 142 | 68.8 Ų | 68.8 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 25.4 | -174.5 | -67.2 | -39 | 0 | 0 | 0 | 114.1 | L40 E41 I45 | L40-N43 PolarHBondContact O-N 3.2Å; E41-N43 VanDerWaalsContact C-N 3.32Å; N43-I45 VanDerWaalsContact C-N 3.27Å; N43-I45 PolarHBondContact O-N 3.11Å |
| 44 | N | 92.2 | Very high | 93.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | trans | -88.4 | 5.3 | -179.6 | -79.1 | -43.4 | 0 | 0 | 0 | 112.9 | M39 S42 P513 R516 | M39-N44 HydrophobicContact CE-CB 3.84Å; M39-N44 WeakPolarHBondContact CE-O 3.29Å; M39-N44 PolarHBondContact O-N 2.81Å; M39-N44 HydrophobicContact SD-CB 4.19Å; S42-N44 VanDerWaalsContact CB-ND2 3.29Å; S42-N44 WeakPolarHBondContact CB-ND2 3.37Å; S42-N44 PolarHBondContact O-N 3.5Å; S42-N44 VanDerWaalsContact O-N 3.1Å; S42-N44 PolarHBondContact OG-ND2 3.47Å; N44-P513 VanDerWaalsContact O-CD 3.26Å; N44-P513 WeakPolarHBondContact O-CD 3.14Å; N44-R516 HydrophobicContact CB-CG 4.43Å; N44-R516 VanDerWaalsContact CG-CD 3.49Å; N44-R516 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 45 | I | 95.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | trans | -147.8 | 138.4 | 174.7 | -164.6 | 168.6 | 0 | 0 | 0 | 111.2 | M39 L40 N43 N47 V482 Q511 | M39-I45 HydrophobicContact CB-CB 4.27Å; M39-I45 HydrophobicContact CB-CG2 3.8Å; M39-I45 HydrophobicContact CE-CB 4.4Å; M39-I45 PolarHBondContact O-N 3Å; L40-I45 HydrophobicContact CD1-CG2 4.48Å; N43-I45 VanDerWaalsContact C-N 3.27Å; N43-I45 PolarHBondContact O-N 3.11Å; I45-N47 WeakPolarHBondContact CD1-OD1 3.4Å; I45-N47 WeakPolarHBondContact CG1-OD1 3.27Å; I45-V482 HydrophobicContact CD1-CB 3.74Å; I45-V482 HydrophobicContact CD1-CG1 4.06Å; I45-V482 WeakPolarHBondContact CD1-O 3.5Å; I45-Q511 WeakPolarHBondContact CA-O 3.5Å | ||
| 46 | I | 95.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127 | 169.1 | -59.2 | 174.8 | 0 | 0 | 0 | 107 | I85 K86 S510 Q511 | I46-I85 HydrophobicContact CB-CG1 4.33Å; I46-I85 HydrophobicContact CG2-CD1 4.39Å; I46-I85 HydrophobicContact CG2-CG1 3.68Å; I46-I85 WeakPolarHBondContact O-CD1 3.3Å; I46-K86 HydrophobicContact CG2-CD 4.29Å; I46-K86 HydrophobicContact CG2-CG 3.91Å; I46-S510 CarbonylContact O-C 3.55Å; I46-S510 WeakPolarHBondContact O-CA 3.45Å; I46-Q511 HydrophobicContact CB-CB 4.26Å; I46-Q511 PolarHBondContact N-O 2.97Å; I46-Q511 PolarHBondContact O-N 3.31Å |
| 47 | N | 95 | Very high | 93.4 | Very high | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.7 | -178.5 | -71.6 | -27.5 | 0 | 0 | 0 | 111.7 | Y36 I45 V482 S510 | Y36-N47 WeakPolarHBondContact CE2-ND2 3.42Å; Y36-N47 PolarHBondContact OH-ND2 2.85Å; I45-N47 WeakPolarHBondContact CD1-OD1 3.4Å; I45-N47 WeakPolarHBondContact CG1-OD1 3.27Å; N47-V482 PolarHBondContact ND2-O 2.83Å; N47-S510 WeakPolarHBondContact OD1-CA 3.32Å; N47-S510 WeakPolarHBondContact OD1-CB 3.41Å; N47-S510 PolarHBondContact OD1-OG 2.85Å |
| 48 | F | 96.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 104.8 | 159.6 | 171.8 | -104.3 | 0 | 0 | 0 | 108.3 | G50 L51 Y57 F78 F80 I85 Y88 G508 V509 | F48-G50 PolarHBondContact O-N 2.81Å; F48-L51 HydrophobicContact CZ-CD2 4.18Å; F48-L51 HydrophobicContact CZ-CG 4.38Å; F48-Y57 HydrophobicContact CE1-CD1 4.37Å; F48-Y57 AromaticContact CE1-CE1 3.76Å; F48-Y57 HydrophobicContact CE1-CE1 3.76Å; F48-F78 HydrophobicContact CE1-CE1 4.31Å; F48-F78 HydrophobicContact CE1-CZ 4.45Å; F48-F78 AromaticContact CZ-CE1 3.95Å; F48-F78 HydrophobicContact CZ-CE1 3.95Å; F48-F78 HydrophobicContact CZ-CZ 4.36Å; F48-F80 HydrophobicContact CB-CE1 4.15Å; F48-F80 AromaticContact CD1-CE1 3.98Å; F48-F80 HydrophobicContact CD1-CE1 3.98Å; F48-F80 AromaticContact CD1-CZ 3.65Å; F48-F80 HydrophobicContact CD1-CZ 3.65Å; F48-F80 HydrophobicContact CD2-CE1 4.13Å; F48-F80 HydrophobicContact CE1-CE1 4.44Å; F48-F80 AromaticContact CE1-CZ 3.94Å; F48-F80 HydrophobicContact CE1-CZ 3.94Å; F48-F80 AromaticContact CG-CE1 3.8Å; F48-F80 HydrophobicContact CG-CE1 3.8Å; F48-F80 AromaticContact CG-CZ 3.98Å; F48-F80 HydrophobicContact CG-CZ 3.98Å; F48-I85 HydrophobicContact CB-CD1 4.2Å; F48-Y88 HydrophobicContact CD2-CD1 4.25Å; F48-Y88 AromaticContact CD2-CE1 3.77Å; F48-Y88 HydrophobicContact CD2-CE1 3.77Å; F48-Y88 HydrophobicContact CE2-CD1 4.21Å; F48-Y88 AromaticContact CE2-CE1 3.46Å; F48-Y88 HydrophobicContact CE2-CE1 3.46Å; F48-Y88 VanDerWaalsContact CE2-CE1 3.46Å; F48-Y88 HydrophobicContact CE2-CE2 4.3Å; F48-Y88 AromaticContact CE2-CZ 3.51Å; F48-Y88 HydrophobicContact CZ-CE1 4.43Å; F48-G508 VanDerWaalsContact O-CA 3.27Å; F48-G508 WeakPolarHBondContact O-CA 3.29Å; F48-V509 HydrophobicContact CB-CB 4.42Å; F48-V509 PolarHBondContact N-O 2.78Å; F48-V509 PolarHBondContact O-N 3.3Å |
| 49 | N | 93.8 | Very high | 93.5 | Very high | 122 Ų | 122 | 53 Ų | 53 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 124.1 | 170.6 | -61.6 | -34.3 | 0 | 0 | 0 | 108.1 | ||
| 50 | G | 91.7 | Very high | 93.6 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -55 | 162.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F48 Y57 T507 | F48-G50 PolarHBondContact O-N 2.81Å; G50-Y57 WeakPolarHBondContact CA-OH 3.45Å; G50-T507 WeakPolarHBondContact CA-O 3.09Å; G50-T507 PolarHBondContact N-O 2.92Å |
| 51 | L | 93.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 147.5 | 176.7 | -52.1 | 180 | 0 | 0 | 0 | 111.2 | F48 N53 S54 Y57 F78 K90 | F48-L51 HydrophobicContact CZ-CD2 4.18Å; F48-L51 HydrophobicContact CZ-CG 4.38Å; L51-N53 PolarHBondContact O-N 2.8Å; L51-S54 PolarHBondContact O-N 3.21Å; L51-S54 VanDerWaalsContact O-O 3.06Å; L51-Y57 PolarHBondContact N-OH 2.88Å; L51-F78 HydrophobicContact CD1-CE1 4.11Å; L51-F78 HydrophobicContact CD1-CZ 3.8Å; L51-F78 HydrophobicContact CG-CE1 4.45Å; L51-F78 HydrophobicContact CG-CZ 4.15Å; L51-K90 HydrophobicContact CD1-CD 4.43Å |
| 52 | V | 89.2 | Confident | 94.1 | Very high | 145 Ų | 145 | 47.1 Ų | 47.1 | 88% | 0.879 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -34.5 | -175.2 | 179.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 53 | N | 87.4 | Confident | 94.3 | Very high | 135 Ų | 135 | 45.6 Ų | 45.6 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 16.7 | -178.8 | -70.1 | -25.8 | 0 | 0 | 0 | 113.7 | L51 | L51-N53 PolarHBondContact O-N 2.8Š|
| 54 | S | 93.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -127.6 | 157.7 | 179.3 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | L51 Y57 K74 | L51-S54 PolarHBondContact O-N 3.21Å; L51-S54 VanDerWaalsContact O-O 3.06Å; S54-Y57 WeakPolarHBondContact CB-OH 3.48Å; S54-Y57 PolarHBondContact OG-OH 2.88Å; S54-K74 WeakPolarHBondContact CB-O 3.29Å; S54-K74 PolarHBondContact OG-O 3.29Å | ||
| 55 | S | 95 | Very high | 94.2 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | trans | -158.6 | -177.3 | -178.5 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | K74 V506 | S55-K74 WeakPolarHBondContact O-CB 3.05Å; S55-K74 PolarHBondContact O-N 3.17Å; S55-V506 VanDerWaalsContact CA-O 3.31Å; S55-V506 WeakPolarHBondContact CA-O 3.21Å; S55-V506 WeakPolarHBondContact CB-O 3.31Å | ||
| 56 | S | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | trans | 64.1 | 54.3 | 167.4 | -49.1 | 0 | 0 | 0 | 0 | 113.3 | H58 V506 | S56-H58 VanDerWaalsContact C-N 3.25Å; S56-H58 PolarHBondContact O-N 2.78Å; S56-H58 PolarHBondContact O-ND1 2.97Å; S56-V506 PolarHBondContact N-O 2.93Å | ||
| 57 | Y | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -80.7 | 66.3 | -179.7 | -57.5 | -94 | 0 | 0 | 0 | 110.5 | F48 G50 L51 S54 F60 V71 A73 F78 G504 S505 V509 | F48-Y57 HydrophobicContact CE1-CD1 4.37Å; F48-Y57 AromaticContact CE1-CE1 3.76Å; F48-Y57 HydrophobicContact CE1-CE1 3.76Å; G50-Y57 WeakPolarHBondContact CA-OH 3.45Å; L51-Y57 PolarHBondContact N-OH 2.88Å; S54-Y57 WeakPolarHBondContact CB-OH 3.48Å; S54-Y57 PolarHBondContact OG-OH 2.88Å; Y57-F60 VanDerWaalsContact O-CE1 3.25Å; Y57-F60 WeakPolarHBondContact O-CE1 3.34Å; Y57-V71 HydrophobicContact CD1-CG1 4.33Å; Y57-A73 HydrophobicContact CD1-CB 3.63Å; Y57-A73 HydrophobicContact CE1-CB 3.75Å; Y57-A73 HydrophobicContact CG-CB 4.21Å; Y57-F78 HydrophobicContact CD1-CD2 4.33Å; Y57-F78 HydrophobicContact CD1-CE2 4.06Å; Y57-F78 HydrophobicContact CE1-CD2 4.18Å; Y57-F78 AromaticContact CE1-CE2 3.5Å; Y57-F78 HydrophobicContact CE1-CE2 3.5Å; Y57-F78 VanDerWaalsContact CE1-CE2 3.5Å; Y57-F78 AromaticContact CE1-CZ 3.89Å; Y57-F78 HydrophobicContact CE1-CZ 3.89Å; Y57-G504 CarbonylContact O-C 3.51Å; Y57-G504 WeakPolarHBondContact O-CA 3.26Å; Y57-S505 WeakPolarHBondContact CB-O 3.37Å; Y57-S505 WeakPolarHBondContact CD2-O 3.43Å; Y57-S505 PolarHBondContact N-O 3.01Å; Y57-V509 HydrophobicContact CD1-CG2 4.33Å; Y57-V509 HydrophobicContact CG-CG2 4.3Å | ||
| 58 | H | 94.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | trans | -122 | -9.2 | -170.5 | 60.7 | -105.1 | 0 | 0 | 0 | 115.6 | S56 F60 K119 S490 A491 | S56-H58 VanDerWaalsContact C-N 3.25Å; S56-H58 PolarHBondContact O-N 2.78Å; S56-H58 PolarHBondContact O-ND1 2.97Å; H58-F60 PolarHBondContact O-N 2.96Å; H58-K119 PolarHBondContact NE2-NZ 2.86Å; H58-S490 WeakPolarHBondContact CB-OG 3.28Å; H58-A491 HydrophobicContact CB-CB 4.18Å; H58-A491 VanDerWaalsContact O-CB 3.27Å; H58-A491 WeakPolarHBondContact O-CB 3.3Å | ||
| 59 | T | 97.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 88.1 | -178.7 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | V71 G72 I118 L121 | T59-V71 WeakPolarHBondContact O-CA 3.36Å; T59-G72 PolarHBondContact O-N 3.46Å; T59-I118 HydrophobicContact CG2-CG2 4.49Å; T59-I118 PolarHBondContact OG1-O 2.9Å; T59-L121 HydrophobicContact CG2-CB 3.67Å |
| 60 | F | 97.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.1 | -174 | -77 | 14 | 0 | 0 | 0 | 112.9 | Y57 H58 L69 V71 A491 K493 G504 V509 | Y57-F60 VanDerWaalsContact O-CE1 3.25Å; Y57-F60 WeakPolarHBondContact O-CE1 3.34Å; H58-F60 PolarHBondContact O-N 2.96Å; F60-L69 HydrophobicContact CB-CD1 4.39Å; F60-L69 HydrophobicContact CD2-CD1 4.2Å; F60-L69 HydrophobicContact CE2-CD2 4.39Å; F60-L69 HydrophobicContact CG-CD1 4.31Å; F60-V71 HydrophobicContact CD1-CB 4.27Å; F60-V71 HydrophobicContact CD1-CG1 3.9Å; F60-V71 HydrophobicContact CD1-CG2 3.72Å; F60-V71 HydrophobicContact CE1-CB 4.24Å; F60-V71 HydrophobicContact CE1-CG1 3.63Å; F60-V71 HydrophobicContact CE1-CG2 3.62Å; F60-V71 HydrophobicContact CZ-CG2 4.35Å; F60-A491 HydrophobicContact CD1-CB 4.11Å; F60-A491 HydrophobicContact CD2-CB 4.08Å; F60-A491 HydrophobicContact CE1-CB 4.21Å; F60-A491 HydrophobicContact CE2-CB 4.18Å; F60-A491 HydrophobicContact CG-CB 4.06Å; F60-A491 HydrophobicContact CZ-CB 4.26Å; F60-K493 HydrophobicContact CB-CG 3.86Å; F60-K493 HydrophobicContact CD2-CB 4.16Å; F60-K493 HydrophobicContact CD2-CG 3.87Å; F60-K493 HydrophobicContact CG-CG 4.4Å; F60-G504 VanDerWaalsContact CZ-CA 3.42Å; F60-V509 HydrophobicContact CE1-CG2 4.36Å; F60-V509 HydrophobicContact CZ-CG1 4.14Å; F60-V509 HydrophobicContact CZ-CG2 4.3Å |
| 61 | L | 97.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 111 | 165.2 | 174.8 | 67.7 | 0 | 0 | 0 | 108.7 | Y70 L121 L129 | L61-Y70 HydrophobicContact CD2-CD2 4.18Å; L61-Y70 HydrophobicContact CG-CD2 4.38Å; L61-Y70 PolarHBondContact N-O 3.22Å; L61-Y70 PolarHBondContact O-N 3.37Å; L61-L121 HydrophobicContact CB-CD2 4.23Å; L61-L121 HydrophobicContact CB-CG 4.14Å; L61-L121 HydrophobicContact CD2-CG 4.31Å; L61-L129 HydrophobicContact CD2-CD1 4.29Å; L61-L129 HydrophobicContact CD2-CD2 3.75Å |
| 62 | L | 96.8 | Very high | 94.6 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.4 | 177.2 | 177.4 | 64.2 | 0 | 0 | 0 | 109.5 | E64 L69 L82 I494 Y502 | L62-E64 HydrophobicContact CD1-CG 4.4Å; L62-E64 HydrophobicContact CD2-CG 4.13Å; L62-E64 HydrophobicContact CG-CG 4.06Å; L62-L69 HydrophobicContact CB-CD1 4.4Å; L62-L69 HydrophobicContact CD1-CD1 4.44Å; L62-L82 HydrophobicContact CD1-CD1 3.79Å; L62-L82 HydrophobicContact CD1-CD2 3.42Å; L62-L82 VanDerWaalsContact CD1-CD2 3.42Å; L62-L82 HydrophobicContact CD1-CG 4.28Å; L62-I494 WeakPolarHBondContact CD2-O 3.46Å; L62-Y502 HydrophobicContact CD1-CD2 4.47Å; L62-Y502 HydrophobicContact CD1-CE2 4.19Å |
| 63 | D | 93.9 | Very high | 95 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 94.6 | 175.1 | -174.8 | -20.1 | 0 | 0 | 0 | 109.4 | E65 R66 S67 R68 Y70 | D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.48Å; D63-E65 PolarHBondContact OD1-N 2.89Å; D63-E65 VanDerWaalsContact OD1-N 3.1Å; D63-R66 PolarHBondContact OD1-N 2.99Å; D63-R66 IonicContact OD1-NH1 2.77Å; D63-R66 VanDerWaalsContact OD2-CD 3.27Å; D63-R66 WeakPolarHBondContact OD2-CD 3.41Å; D63-R66 WeakPolarHBondContact OD2-CG 3.44Å; D63-R66 IonicContact OD2-CZ 2.94Å; D63-R66 IonicContact OD2-NE 3.92Å; D63-R66 IonicContact OD2-NH1 2.72Å; D63-R66 PolarHBondContact OD2-NH1 3.22Å; D63-S67 PolarHBondContact O-N 2.98Å; D63-S67 VanDerWaalsContact O-N 3.1Å; D63-R68 CarbonylContact C-O 3.16Å; D63-R68 PolarHBondContact N-O 3.4Å; D63-R68 PolarHBondContact O-N 3.25Å; D63-R68 VanDerWaalsContact O-O 3.13Å; D63-Y70 HydrophobicContact CB-CD2 4.38Å; D63-Y70 HydrophobicContact CB-CE2 3.92Å |
| 64 | E | 92.5 | Very high | 95.5 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -18.3 | -179.4 | -63 | -167.5 | 132 | 0 | 0 | 113.5 | L62 S495 K497 | L62-E64 HydrophobicContact CD1-CG 4.4Å; L62-E64 HydrophobicContact CD2-CG 4.13Å; L62-E64 HydrophobicContact CG-CG 4.06Å; E64-S495 WeakPolarHBondContact OE1-CA 3.38Å; E64-S495 VanDerWaalsContact OE1-CB 3.27Å; E64-S495 WeakPolarHBondContact OE1-CB 3.4Å; E64-S495 PolarHBondContact OE1-OG 3.37Å; E64-K497 HydrophobicContact CB-CD 4.48Å |
| 65 | E | 89.4 | Confident | 95.7 | Very high | 160 Ų | 160 | 29 Ų | 29 | 75% | 0.748 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -46.6 | 177.3 | -63.6 | -174.3 | 163.5 | 0 | 0 | 109.8 | D63 S67 | D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 3.48Å; D63-E65 PolarHBondContact OD1-N 2.89Å; D63-E65 VanDerWaalsContact OD1-N 3.1Å; E65-S67 VanDerWaalsContact C-N 3.25Å; E65-S67 PolarHBondContact O-N 2.91Å |
| 66 | R | 89.4 | Confident | 95.8 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 11% | 0.109 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5.2 | 175.4 | -65.8 | -178.5 | -175.5 | 61.6 | 18.4 | 113.8 | D63 R68 Q126 | D63-R66 PolarHBondContact OD1-N 2.99Å; D63-R66 IonicContact OD1-NH1 2.77Å; D63-R66 VanDerWaalsContact OD2-CD 3.27Å; D63-R66 WeakPolarHBondContact OD2-CD 3.41Å; D63-R66 WeakPolarHBondContact OD2-CG 3.44Å; D63-R66 IonicContact OD2-CZ 2.94Å; D63-R66 IonicContact OD2-NE 3.92Å; D63-R66 IonicContact OD2-NH1 2.72Å; D63-R66 PolarHBondContact OD2-NH1 3.22Å; R66-R68 HydrophobicContact CB-CB 4.42Å; R66-R68 HydrophobicContact CB-CG 4.06Å; R66-R68 PolarHBondContact O-N 3Å; R66-Q126 PolarHBondContact NH2-O 3.18Å |
| 67 | S | 92.2 | Very high | 96 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.3 | -170.8 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | D63 E65 L82 | D63-S67 PolarHBondContact O-N 2.98Å; D63-S67 VanDerWaalsContact O-N 3.1Å; E65-S67 VanDerWaalsContact C-N 3.25Å; E65-S67 PolarHBondContact O-N 2.91Å; S67-L82 VanDerWaalsContact C-CG 3.43Å; S67-L82 PolarHBondContact O-N 3.12Å; S67-L82 VanDerWaalsContact O-N 3.1Å |
| 68 | R | 94.8 | Very high | 96 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 16% | 0.158 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.4 | 179.2 | -62.1 | -60.4 | -177 | 160.2 | -0.6 | 112.9 | D63 R66 Y70 F80 N153 | D63-R68 CarbonylContact C-O 3.16Å; D63-R68 PolarHBondContact N-O 3.4Å; D63-R68 PolarHBondContact O-N 3.25Å; D63-R68 VanDerWaalsContact O-O 3.13Å; R66-R68 HydrophobicContact CB-CB 4.42Å; R66-R68 HydrophobicContact CB-CG 4.06Å; R66-R68 PolarHBondContact O-N 3Å; R68-Y70 HydrophobicContact CB-CD2 4.45Å; R68-Y70 HydrophobicContact CB-CE1 4.35Å; R68-Y70 HydrophobicContact CB-CE2 3.89Å; R68-F80 CarbonylContact C-O 3.51Å; R68-F80 VanDerWaalsContact CA-O 3.27Å; R68-F80 WeakPolarHBondContact CA-O 3.4Å; R68-F80 WeakPolarHBondContact CD-O 3.38Å; R68-N153 PolarHBondContact NH2-OD1 3.28Å |
| 69 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.4 | 162.2 | 175.1 | 71.7 | 0 | 0 | 0 | 108.3 | F60 L62 V71 F80 L82 Y502 V509 | F60-L69 HydrophobicContact CB-CD1 4.39Å; F60-L69 HydrophobicContact CD2-CD1 4.2Å; F60-L69 HydrophobicContact CE2-CD2 4.39Å; F60-L69 HydrophobicContact CG-CD1 4.31Å; L62-L69 HydrophobicContact CB-CD1 4.4Å; L62-L69 HydrophobicContact CD1-CD1 4.44Å; L69-V71 HydrophobicContact CD2-CG2 3.92Å; L69-V71 HydrophobicContact CG-CG2 3.81Å; L69-F80 HydrophobicContact CB-CB 4.26Å; L69-F80 PolarHBondContact N-O 3.38Å; L69-F80 PolarHBondContact O-N 3.02Å; L69-L82 HydrophobicContact CB-CD2 3.58Å; L69-Y502 HydrophobicContact CD2-CD1 3.85Å; L69-Y502 HydrophobicContact CD2-CG 3.78Å; L69-V509 HydrophobicContact CD2-CG1 4.37Å |
| 70 | Y | 98.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.8 | 173.2 | -54.1 | -82.2 | 0 | 0 | 0 | 110.5 | L61 D63 R68 F78 S79 L129 V146 F155 | L61-Y70 HydrophobicContact CD2-CD2 4.18Å; L61-Y70 HydrophobicContact CG-CD2 4.38Å; L61-Y70 PolarHBondContact N-O 3.22Å; L61-Y70 PolarHBondContact O-N 3.37Å; D63-Y70 HydrophobicContact CB-CD2 4.38Å; D63-Y70 HydrophobicContact CB-CE2 3.92Å; R68-Y70 HydrophobicContact CB-CD2 4.45Å; R68-Y70 HydrophobicContact CB-CE1 4.35Å; R68-Y70 HydrophobicContact CB-CE2 3.89Å; Y70-F78 CarbonylContact C-O 3.57Å; Y70-F78 WeakPolarHBondContact CA-O 3.46Å; Y70-S79 WeakPolarHBondContact CE1-OG 3.5Å; Y70-L129 HydrophobicContact CD1-CD1 3.74Å; Y70-L129 HydrophobicContact CD2-CD1 3.85Å; Y70-L129 HydrophobicContact CE1-CD1 3.91Å; Y70-L129 HydrophobicContact CE2-CD1 4.03Å; Y70-L129 HydrophobicContact CE2-CD2 4.44Å; Y70-L129 HydrophobicContact CG-CD1 3.7Å; Y70-V146 HydrophobicContact CE1-CG1 3.87Å; Y70-F155 HydrophobicContact CD1-CD2 4.35Å; Y70-F155 AromaticContact CD1-CE2 3.67Å; Y70-F155 HydrophobicContact CD1-CE2 3.67Å; Y70-F155 HydrophobicContact CD1-CZ 4.22Å; Y70-F155 AromaticContact CE1-CD2 3.95Å; Y70-F155 HydrophobicContact CE1-CD2 3.95Å; Y70-F155 AromaticContact CE1-CE2 3.73Å; Y70-F155 HydrophobicContact CE1-CE2 3.73Å |
| 71 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 118.5 | -175.6 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | Y57 T59 F60 L69 I77 F78 F80 V509 | Y57-V71 HydrophobicContact CD1-CG1 4.33Å; T59-V71 WeakPolarHBondContact O-CA 3.36Å; F60-V71 HydrophobicContact CD1-CB 4.27Å; F60-V71 HydrophobicContact CD1-CG1 3.9Å; F60-V71 HydrophobicContact CD1-CG2 3.72Å; F60-V71 HydrophobicContact CE1-CB 4.24Å; F60-V71 HydrophobicContact CE1-CG1 3.63Å; F60-V71 HydrophobicContact CE1-CG2 3.62Å; F60-V71 HydrophobicContact CZ-CG2 4.35Å; L69-V71 HydrophobicContact CD2-CG2 3.92Å; L69-V71 HydrophobicContact CG-CG2 3.81Å; V71-I77 CarbonylContact O-C 3.58Å; V71-I77 WeakPolarHBondContact O-CA 3.34Å; V71-F78 HydrophobicContact CB-CB 4.37Å; V71-F78 PolarHBondContact N-O 2.75Å; V71-F78 PolarHBondContact O-N 3.36Å; V71-F80 HydrophobicContact CB-CD2 4.23Å; V71-F80 HydrophobicContact CB-CE2 3.89Å; V71-F80 HydrophobicContact CG2-CD2 3.71Å; V71-F80 HydrophobicContact CG2-CE2 3.74Å; V71-V509 HydrophobicContact CG1-CG2 4.24Å; V71-V509 HydrophobicContact CG2-CG2 4.41Å |
| 72 | G | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T59 | T59-G72 PolarHBondContact O-N 3.46Å |
| 73 | A | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | -171.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y57 D75 H76 F78 I118 | Y57-A73 HydrophobicContact CD1-CB 3.63Å; Y57-A73 HydrophobicContact CE1-CB 3.75Å; Y57-A73 HydrophobicContact CG-CB 4.21Å; A73-D75 PolarHBondContact O-N 2.98Å; A73-H76 PolarHBondContact N-O 3.44Å; A73-F78 HydrophobicContact CB-CD2 4.3Å; A73-F78 HydrophobicContact CB-CE2 3.84Å; A73-I118 WeakPolarHBondContact O-CG1 3.29Å; A73-I118 PolarHBondContact O-N 2.93Å |
| 74 | K | 97.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 14% | 0.143 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 119.6 | 169.9 | -177.9 | -171.7 | 171.5 | -174.9 | 0 | 110.6 | S54 S55 H76 L111 A115 F117 | S54-K74 WeakPolarHBondContact CB-O 3.29Å; S54-K74 PolarHBondContact OG-O 3.29Å; S55-K74 WeakPolarHBondContact O-CB 3.05Å; S55-K74 PolarHBondContact O-N 3.17Å; K74-H76 PolarHBondContact O-N 2.94Å; K74-H76 VanDerWaalsContact O-N 3.12Å; K74-H76 PolarHBondContact O-ND1 2.8Å; K74-L111 PolarHBondContact NZ-O 2.77Å; K74-A115 HydrophobicContact CD-CB 4.19Å; K74-A115 HydrophobicContact CG-CB 3.87Å; K74-F117 HydrophobicContact CB-CD1 3.95Å; K74-F117 HydrophobicContact CB-CE1 3.82Å; K74-F117 HydrophobicContact CB-CZ 4.46Å; K74-F117 HydrophobicContact CD-CE1 3.96Å; K74-F117 HydrophobicContact CD-CZ 3.9Å; K74-F117 HydrophobicContact CG-CD1 4.2Å; K74-F117 HydrophobicContact CG-CE1 3.79Å; K74-F117 HydrophobicContact CG-CE2 4.44Å; K74-F117 HydrophobicContact CG-CZ 3.93Å |
| 75 | D | 97.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 25 Ų | 25 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 10.9 | 178.8 | -58 | -47.4 | 0 | 0 | 0 | 114.9 | A73 W93 P94 N116 | A73-D75 PolarHBondContact O-N 2.98Å; D75-W93 CarbonylContact O-C 3.47Å; D75-W93 PolarHBondContact O-N 2.8Å; D75-P94 HydrophobicContact CB-CB 4.12Å; D75-N116 WeakPolarHBondContact CA-O 3.36Å; D75-N116 PolarHBondContact N-O 3.06Å; D75-N116 PolarHBondContact OD1-N 2.9Å |
| 76 | H | 97.7 | Very high | 96 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 12% | 0.116 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.1 | -171.1 | -63 | 79.2 | 0 | 0 | 0 | 112.5 | A73 K74 F78 I91 | A73-H76 PolarHBondContact N-O 3.44Å; K74-H76 PolarHBondContact O-N 2.94Å; K74-H76 VanDerWaalsContact O-N 3.12Å; K74-H76 PolarHBondContact O-ND1 2.8Å; H76-F78 HydrophobicContact CB-CD2 4.28Å; H76-F78 HydrophobicContact CB-CE2 3.49Å; H76-F78 VanDerWaalsContact CB-CE2 3.49Å; H76-F78 HydrophobicContact CB-CZ 3.8Å; H76-I91 VanDerWaalsContact CA-O 3.29Å; H76-I91 WeakPolarHBondContact CA-O 3.34Å |
| 77 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.7 | 166 | -53.5 | 174.4 | 0 | 0 | 0 | 107.5 | V71 K90 I91 W93 I118 L121 A131 I144 F155 | V71-I77 CarbonylContact O-C 3.58Å; V71-I77 WeakPolarHBondContact O-CA 3.34Å; I77-K90 CarbonylContact O-C 3.56Å; I77-K90 WeakPolarHBondContact O-CA 3.33Å; I77-I91 HydrophobicContact CB-CB 4.48Å; I77-I91 PolarHBondContact N-O 2.86Å; I77-I91 PolarHBondContact O-N 3.23Å; I77-W93 HydrophobicContact CD1-CE3 4Å; I77-W93 HydrophobicContact CD1-CZ3 4.31Å; I77-I118 HydrophobicContact CD1-CD1 4.18Å; I77-I118 HydrophobicContact CD1-CG1 4.28Å; I77-I118 HydrophobicContact CD1-CG2 4.43Å; I77-I118 HydrophobicContact CG1-CD1 4.16Å; I77-I118 HydrophobicContact CG1-CG1 3.8Å; I77-I118 HydrophobicContact CG1-CG2 4.37Å; I77-L121 HydrophobicContact CG2-CD1 4.37Å; I77-L121 HydrophobicContact CG2-CD2 4.23Å; I77-A131 HydrophobicContact CD1-CB 3.79Å; I77-I144 HydrophobicContact CD1-CD1 3.36Å; I77-I144 HydrophobicContact CG2-CD1 4.28Å; I77-F155 HydrophobicContact CB-CZ 4.39Å; I77-F155 HydrophobicContact CG2-CZ 3.91Å |
| 78 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.5 | -177.8 | -61.5 | -93.5 | 0 | 0 | 0 | 110.6 | F48 L51 Y57 Y70 V71 A73 H76 F80 Y88 Q89 K90 | F48-F78 HydrophobicContact CE1-CE1 4.31Å; F48-F78 HydrophobicContact CE1-CZ 4.45Å; F48-F78 AromaticContact CZ-CE1 3.95Å; F48-F78 HydrophobicContact CZ-CE1 3.95Å; F48-F78 HydrophobicContact CZ-CZ 4.36Å; L51-F78 HydrophobicContact CD1-CE1 4.11Å; L51-F78 HydrophobicContact CD1-CZ 3.8Å; L51-F78 HydrophobicContact CG-CE1 4.45Å; L51-F78 HydrophobicContact CG-CZ 4.15Å; Y57-F78 HydrophobicContact CD1-CD2 4.33Å; Y57-F78 HydrophobicContact CD1-CE2 4.06Å; Y57-F78 HydrophobicContact CE1-CD2 4.18Å; Y57-F78 AromaticContact CE1-CE2 3.5Å; Y57-F78 HydrophobicContact CE1-CE2 3.5Å; Y57-F78 VanDerWaalsContact CE1-CE2 3.5Å; Y57-F78 AromaticContact CE1-CZ 3.89Å; Y57-F78 HydrophobicContact CE1-CZ 3.89Å; Y70-F78 CarbonylContact C-O 3.57Å; Y70-F78 WeakPolarHBondContact CA-O 3.46Å; V71-F78 HydrophobicContact CB-CB 4.37Å; V71-F78 PolarHBondContact N-O 2.75Å; V71-F78 PolarHBondContact O-N 3.36Å; A73-F78 HydrophobicContact CB-CD2 4.3Å; A73-F78 HydrophobicContact CB-CE2 3.84Å; H76-F78 HydrophobicContact CB-CD2 4.28Å; H76-F78 HydrophobicContact CB-CE2 3.49Å; H76-F78 VanDerWaalsContact CB-CE2 3.49Å; H76-F78 HydrophobicContact CB-CZ 3.8Å; F78-F80 HydrophobicContact CB-CD2 3.86Å; F78-F80 HydrophobicContact CB-CE2 3.31Å; F78-F80 HydrophobicContact CB-CZ 3.75Å; F78-F80 HydrophobicContact CD1-CE2 4.47Å; F78-F80 HydrophobicContact CD1-CZ 4.05Å; F78-F80 AromaticContact CG-CE2 3.91Å; F78-F80 HydrophobicContact CG-CE2 3.91Å; F78-F80 AromaticContact CG-CZ 3.92Å; F78-F80 HydrophobicContact CG-CZ 3.92Å; F78-Y88 AromaticContact CD1-CD2 3.73Å; F78-Y88 HydrophobicContact CD1-CD2 3.73Å; F78-Y88 AromaticContact CD1-CE2 3.95Å; F78-Y88 HydrophobicContact CD1-CE2 3.95Å; F78-Y88 HydrophobicContact CE1-CD2 4.25Å; F78-Y88 AromaticContact CE1-CE2 3.99Å; F78-Y88 HydrophobicContact CE1-CE2 3.99Å; F78-Q89 WeakPolarHBondContact CA-O 3.39Å; F78-K90 HydrophobicContact CD1-CB 3.9Å; F78-K90 HydrophobicContact CE1-CB 4.03Å; F78-K90 HydrophobicContact CE1-CD 4.41Å |
| 79 | S | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 99.9 | 168.4 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | Y70 Y88 Q89 | Y70-S79 WeakPolarHBondContact CE1-OG 3.5Å; S79-Y88 CarbonylContact O-C 3.49Å; S79-Y88 WeakPolarHBondContact O-CA 3.41Å; S79-Y88 WeakPolarHBondContact O-CB 3.41Å; S79-Q89 PolarHBondContact N-O 2.85Å; S79-Q89 PolarHBondContact O-N 2.83Å |
| 80 | F | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.8 | -179.8 | -66.8 | -79.5 | 0 | 0 | 0 | 110.9 | F48 R68 L69 V71 F78 I85 Y88 V509 | F48-F80 HydrophobicContact CB-CE1 4.15Å; F48-F80 AromaticContact CD1-CE1 3.98Å; F48-F80 HydrophobicContact CD1-CE1 3.98Å; F48-F80 AromaticContact CD1-CZ 3.65Å; F48-F80 HydrophobicContact CD1-CZ 3.65Å; F48-F80 HydrophobicContact CD2-CE1 4.13Å; F48-F80 HydrophobicContact CE1-CE1 4.44Å; F48-F80 AromaticContact CE1-CZ 3.94Å; F48-F80 HydrophobicContact CE1-CZ 3.94Å; F48-F80 AromaticContact CG-CE1 3.8Å; F48-F80 HydrophobicContact CG-CE1 3.8Å; F48-F80 AromaticContact CG-CZ 3.98Å; F48-F80 HydrophobicContact CG-CZ 3.98Å; R68-F80 CarbonylContact C-O 3.51Å; R68-F80 VanDerWaalsContact CA-O 3.27Å; R68-F80 WeakPolarHBondContact CA-O 3.4Å; R68-F80 WeakPolarHBondContact CD-O 3.38Å; L69-F80 HydrophobicContact CB-CB 4.26Å; L69-F80 PolarHBondContact N-O 3.38Å; L69-F80 PolarHBondContact O-N 3.02Å; V71-F80 HydrophobicContact CB-CD2 4.23Å; V71-F80 HydrophobicContact CB-CE2 3.89Å; V71-F80 HydrophobicContact CG2-CD2 3.71Å; V71-F80 HydrophobicContact CG2-CE2 3.74Å; F78-F80 HydrophobicContact CB-CD2 3.86Å; F78-F80 HydrophobicContact CB-CE2 3.31Å; F78-F80 HydrophobicContact CB-CZ 3.75Å; F78-F80 HydrophobicContact CD1-CE2 4.47Å; F78-F80 HydrophobicContact CD1-CZ 4.05Å; F78-F80 AromaticContact CG-CE2 3.91Å; F78-F80 HydrophobicContact CG-CE2 3.91Å; F78-F80 AromaticContact CG-CZ 3.92Å; F78-F80 HydrophobicContact CG-CZ 3.92Å; F80-I85 HydrophobicContact CB-CB 4.43Å; F80-I85 HydrophobicContact CB-CG2 4.27Å; F80-I85 HydrophobicContact CD1-CB 4.04Å; F80-I85 WeakPolarHBondContact CD1-O 3.26Å; F80-I85 WeakPolarHBondContact CE1-O 3.09Å; F80-I85 HydrophobicContact CG-CB 4.46Å; F80-Y88 VanDerWaalsContact CD1-CB 3.43Å; F80-Y88 HydrophobicContact CD1-CD1 4.24Å; F80-Y88 HydrophobicContact CD1-CG 4.04Å; F80-Y88 AromaticContact CE1-CD1 3.87Å; F80-Y88 HydrophobicContact CE1-CD1 3.87Å; F80-Y88 AromaticContact CE1-CG 3.79Å; F80-Y88 HydrophobicContact CE1-CG 3.79Å; F80-V509 HydrophobicContact CE2-CG2 4.13Å; F80-V509 HydrophobicContact CZ-CG2 4.34Å |
| 81 | N | 95 | Very high | 96.2 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 20% | 0.198 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.9 | 166.4 | -174.3 | -37.6 | 0 | 0 | 0 | 109.7 | V83 N84 I85 E87 | N81-V83 VanDerWaalsContact C-N 3.28Å; N81-V83 PolarHBondContact O-N 3.34Å; N81-V83 WeakPolarHBondContact OD1-CB 3.45Å; N81-V83 PolarHBondContact OD1-N 2.81Å; N81-N84 CarbonylContact O-C 3.42Å; N81-N84 VanDerWaalsContact O-C 3.28Å; N81-N84 PolarHBondContact O-N 2.91Å; N81-I85 PolarHBondContact O-N 3.37Å; N81-E87 HydrophobicContact CB-CB 4.08Å; N81-E87 PolarHBondContact N-O 2.91Å |
| 82 | L | 94.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -65.2 | -28.8 | 179.8 | -71.3 | -174 | 0 | 0 | 0 | 113.9 | L62 S67 L69 Q498 Y502 Q511 | L62-L82 HydrophobicContact CD1-CD1 3.79Å; L62-L82 HydrophobicContact CD1-CD2 3.42Å; L62-L82 VanDerWaalsContact CD1-CD2 3.42Å; L62-L82 HydrophobicContact CD1-CG 4.28Å; S67-L82 VanDerWaalsContact C-CG 3.43Å; S67-L82 PolarHBondContact O-N 3.12Å; S67-L82 VanDerWaalsContact O-N 3.1Å; L69-L82 HydrophobicContact CB-CD2 3.58Å; L82-Q498 HydrophobicContact CB-CG 4.14Å; L82-Q498 HydrophobicContact CD1-CG 4.15Å; L82-Y502 WeakPolarHBondContact CA-OH 3.46Å; L82-Y502 VanDerWaalsContact CB-OH 3.32Å; L82-Y502 WeakPolarHBondContact CB-OH 3.38Å; L82-Y502 HydrophobicContact CD2-CE1 4.12Å; L82-Y502 HydrophobicContact CD2-CE2 3.75Å; L82-Y502 WeakPolarHBondContact CD2-OH 2.86Å; L82-Y502 PolarHBondContact O-OH 3.46Å; L82-Q511 PolarHBondContact O-NE2 3.03Å |
| 83 | V | 92.1 | Very high | 96 | Very high | 94 Ų | 94 | 41 Ų | 41 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -73.3 | -43.2 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | N81 Q511 | N81-V83 VanDerWaalsContact C-N 3.28Å; N81-V83 PolarHBondContact O-N 3.34Å; N81-V83 WeakPolarHBondContact OD1-CB 3.45Å; N81-V83 PolarHBondContact OD1-N 2.81Å; V83-Q511 PolarHBondContact O-NE2 3.34Å |
| 84 | N | 93.5 | Very high | 95.9 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | trans | -143.8 | 102.8 | -176.7 | 178.6 | 13.9 | 0 | 0 | 0 | 110.9 | N81 K86 E87 | N81-N84 CarbonylContact O-C 3.42Å; N81-N84 VanDerWaalsContact O-C 3.28Å; N81-N84 PolarHBondContact O-N 2.91Å; N84-K86 PolarHBondContact O-N 2.92Å; N84-K86 VanDerWaalsContact OD1-CB 3.32Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 2.92Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å; N84-E87 PolarHBondContact ND2-OE1 3.21Å; N84-E87 PolarHBondContact O-N 3.46Å | ||
| 85 | I | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -3.5 | -179.6 | 65.8 | 162.8 | 0 | 0 | 0 | 114.3 | I46 F48 F80 N81 Y502 V509 Q511 | I46-I85 HydrophobicContact CB-CG1 4.33Å; I46-I85 HydrophobicContact CG2-CD1 4.39Å; I46-I85 HydrophobicContact CG2-CG1 3.68Å; I46-I85 WeakPolarHBondContact O-CD1 3.3Å; F48-I85 HydrophobicContact CB-CD1 4.2Å; F80-I85 HydrophobicContact CB-CB 4.43Å; F80-I85 HydrophobicContact CB-CG2 4.27Å; F80-I85 HydrophobicContact CD1-CB 4.04Å; F80-I85 WeakPolarHBondContact CD1-O 3.26Å; F80-I85 WeakPolarHBondContact CE1-O 3.09Å; F80-I85 HydrophobicContact CG-CB 4.46Å; N81-I85 PolarHBondContact O-N 3.37Å; I85-Y502 HydrophobicContact CG2-CD1 4.03Å; I85-Y502 HydrophobicContact CG2-CE1 3.97Å; I85-V509 HydrophobicContact CD1-CB 4.45Å; I85-V509 HydrophobicContact CD1-CG1 4.12Å; I85-V509 WeakPolarHBondContact CD1-O 3.18Å; I85-Q511 HydrophobicContact CD1-CB 3.78Å; I85-Q511 HydrophobicContact CG1-CB 3.92Å; I85-Q511 HydrophobicContact CG2-CB 4Å; I85-Q511 HydrophobicContact CG2-CG 4.5Å; I85-Q511 VanDerWaalsContact N-OE1 3.15Å |
| 86 | K | 93.6 | Very high | 95.7 | Very high | 137 Ų | 137 | 46.2 Ų | 46.2 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.3 | 169.3 | -66.5 | 177.3 | 174.1 | 169.7 | 0 | 112.1 | I46 N84 Y88 | I46-K86 HydrophobicContact CG2-CD 4.29Å; I46-K86 HydrophobicContact CG2-CG 3.91Å; N84-K86 PolarHBondContact O-N 2.92Å; N84-K86 VanDerWaalsContact OD1-CB 3.32Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 2.92Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å; K86-Y88 WeakPolarHBondContact O-CD1 3.3Å |
| 87 | E | 94.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -94.9 | 111.1 | 176.4 | -68.3 | 165.9 | -143.5 | 0 | 0 | 109.6 | N81 N84 | N81-E87 HydrophobicContact CB-CB 4.08Å; N81-E87 PolarHBondContact N-O 2.91Å; N84-E87 PolarHBondContact ND2-OE1 3.21Å; N84-E87 PolarHBondContact O-N 3.46Å |
| 88 | Y | 95.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.1 | -177.5 | 67.4 | -89.4 | 0 | 0 | 0 | 113.6 | F48 F78 S79 F80 K86 K90 | F48-Y88 HydrophobicContact CD2-CD1 4.25Å; F48-Y88 AromaticContact CD2-CE1 3.77Å; F48-Y88 HydrophobicContact CD2-CE1 3.77Å; F48-Y88 HydrophobicContact CE2-CD1 4.21Å; F48-Y88 AromaticContact CE2-CE1 3.46Å; F48-Y88 HydrophobicContact CE2-CE1 3.46Å; F48-Y88 VanDerWaalsContact CE2-CE1 3.46Å; F48-Y88 HydrophobicContact CE2-CE2 4.3Å; F48-Y88 AromaticContact CE2-CZ 3.51Å; F48-Y88 HydrophobicContact CZ-CE1 4.43Å; F78-Y88 AromaticContact CD1-CD2 3.73Å; F78-Y88 HydrophobicContact CD1-CD2 3.73Å; F78-Y88 AromaticContact CD1-CE2 3.95Å; F78-Y88 HydrophobicContact CD1-CE2 3.95Å; F78-Y88 HydrophobicContact CE1-CD2 4.25Å; F78-Y88 AromaticContact CE1-CE2 3.99Å; F78-Y88 HydrophobicContact CE1-CE2 3.99Å; S79-Y88 CarbonylContact O-C 3.49Å; S79-Y88 WeakPolarHBondContact O-CA 3.41Å; S79-Y88 WeakPolarHBondContact O-CB 3.41Å; F80-Y88 VanDerWaalsContact CD1-CB 3.43Å; F80-Y88 HydrophobicContact CD1-CD1 4.24Å; F80-Y88 HydrophobicContact CD1-CG 4.04Å; F80-Y88 AromaticContact CE1-CD1 3.87Å; F80-Y88 HydrophobicContact CE1-CD1 3.87Å; F80-Y88 AromaticContact CE1-CG 3.79Å; F80-Y88 HydrophobicContact CE1-CG 3.79Å; K86-Y88 WeakPolarHBondContact O-CD1 3.3Å; Y88-K90 HydrophobicContact CE2-CD 4.43Å |
| 89 | Q | 95.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 159.5 | 164.2 | -64.1 | 171.5 | -35.7 | 0 | 0 | 109.3 | F78 S79 N153 F155 | F78-Q89 WeakPolarHBondContact CA-O 3.39Å; S79-Q89 PolarHBondContact N-O 2.85Å; S79-Q89 PolarHBondContact O-N 2.83Å; Q89-N153 PolarHBondContact NE2-O 2.87Å; Q89-F155 HydrophobicContact CB-CB 4.46Å; Q89-F155 HydrophobicContact CB-CD1 3.82Å; Q89-F155 HydrophobicContact CB-CG 4.5Å; Q89-F155 VanDerWaalsContact OE1-CB 3.28Å |
| 90 | K | 96.1 | Very high | 95.2 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 45% | 0.452 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.6 | 178.6 | 69.8 | -177.2 | 179.1 | -174.5 | 0 | 112.5 | L51 I77 F78 Y88 | L51-K90 HydrophobicContact CD1-CD 4.43Å; I77-K90 CarbonylContact O-C 3.56Å; I77-K90 WeakPolarHBondContact O-CA 3.33Å; F78-K90 HydrophobicContact CD1-CB 3.9Å; F78-K90 HydrophobicContact CE1-CB 4.03Å; F78-K90 HydrophobicContact CE1-CD 4.41Å; Y88-K90 HydrophobicContact CE2-CD 4.43Å |
| 91 | I | 96.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.2 | 165.8 | -68.6 | 167.5 | 0 | 0 | 0 | 107.3 | H76 I77 I144 F155 M157 | H76-I91 VanDerWaalsContact CA-O 3.29Å; H76-I91 WeakPolarHBondContact CA-O 3.34Å; I77-I91 HydrophobicContact CB-CB 4.48Å; I77-I91 PolarHBondContact N-O 2.86Å; I77-I91 PolarHBondContact O-N 3.23Å; I91-I144 HydrophobicContact CD1-CD1 4.4Å; I91-I144 HydrophobicContact CD1-CG1 4.33Å; I91-I144 HydrophobicContact CD1-CG2 3.51Å; I91-F155 HydrophobicContact CB-CE1 4.31Å; I91-F155 HydrophobicContact CD1-CD1 3.96Å; I91-F155 HydrophobicContact CD1-CD2 4.12Å; I91-F155 HydrophobicContact CD1-CE1 3.77Å; I91-F155 HydrophobicContact CD1-CE2 3.94Å; I91-F155 HydrophobicContact CD1-CG 4.15Å; I91-F155 HydrophobicContact CD1-CZ 3.76Å; I91-F155 HydrophobicContact CG1-CD1 3.83Å; I91-F155 HydrophobicContact CG1-CE1 3.67Å; I91-F155 HydrophobicContact CG1-CG 4.45Å; I91-F155 HydrophobicContact CG1-CZ 4.14Å; I91-M157 HydrophobicContact CD1-CB 4.48Å; I91-M157 HydrophobicContact CG2-CB 4.07Å |
| 92 | V | 96.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 53% | 0.527 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.5 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | P94 | V92-P94 VanDerWaalsContact C-CD 3.4Å; V92-P94 HydrophobicContact CG1-CG 4.19Å |
| 93 | W | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | trans | -130.9 | 61.8 | -176.3 | -168.7 | 24.9 | 0 | 0 | 0 | 112.6 | D75 I77 N116 I118 A131 V140 A142 M157 F162 | D75-W93 CarbonylContact O-C 3.47Å; D75-W93 PolarHBondContact O-N 2.8Å; I77-W93 HydrophobicContact CD1-CE3 4Å; I77-W93 HydrophobicContact CD1-CZ3 4.31Å; W93-N116 VanDerWaalsContact CD2-ND2 3.31Å; W93-N116 WeakPolarHBondContact O-CB 3.49Å; W93-N116 PolarHBondContact O-ND2 3.27Å; W93-I118 HydrophobicContact CD2-CD1 4.45Å; W93-I118 HydrophobicContact CE3-CD1 3.4Å; W93-I118 VanDerWaalsContact CE3-CD1 3.4Å; W93-I118 HydrophobicContact CZ3-CD1 3.64Å; W93-A131 HydrophobicContact CZ3-CB 4.2Å; W93-V140 HydrophobicContact CH2-CG2 4.37Å; W93-V140 HydrophobicContact CZ2-CB 4.44Å; W93-V140 HydrophobicContact CZ2-CG2 3.85Å; W93-A142 HydrophobicContact CH2-CB 3.83Å; W93-A142 HydrophobicContact CZ2-CB 3.86Å; W93-M157 HydrophobicContact CB-SD 4.45Å; W93-M157 HydrophobicContact CD2-CE 3.62Å; W93-M157 HydrophobicContact CD2-SD 3.72Å; W93-M157 HydrophobicContact CE3-CE 3.53Å; W93-M157 HydrophobicContact CE3-SD 4.28Å; W93-M157 HydrophobicContact CG-CE 4.19Å; W93-M157 HydrophobicContact CG-SD 3.79Å; W93-M157 HydrophobicContact CH2-CE 4.1Å; W93-M157 HydrophobicContact CZ2-CE 4.17Å; W93-M157 HydrophobicContact CZ2-SD 4.36Å; W93-M157 HydrophobicContact CZ3-CE 3.79Å; W93-F162 AromaticContact CE2-CE1 3.64Å; W93-F162 AromaticContact CZ2-CD1 3.86Å; W93-F162 HydrophobicContact CZ2-CD1 3.86Å; W93-F162 AromaticContact CZ2-CE1 3.65Å; W93-F162 HydrophobicContact CZ2-CE1 3.65Å; W93-F162 AromaticContact NE1-CE1 3.26Å; W93-F162 VanDerWaalsContact NE1-CE1 3.26Å; W93-F162 AromaticContact NE1-CZ 3.8Å | ||
| 94 | P | 95.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 67.7 Ų | 67.7 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 161.9 | 176.4 | 33.9 | -37 | 0 | 0 | 0 | 111.6 | D75 V92 | D75-P94 HydrophobicContact CB-CB 4.12Å; V92-P94 VanDerWaalsContact C-CD 3.4Å; V92-P94 HydrophobicContact CG1-CG 4.19Å |
| 95 | V | 95.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 75.1 Ų | 75.1 | 13% | 0.127 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 152.6 | 170.5 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | R99 R100 N116 G135 A136 | V95-R99 HydrophobicContact CB-CB 4.49Å; V95-R100 HydrophobicContact CG2-CB 4.09Å; V95-N116 HydrophobicContact CG1-CB 3.93Å; V95-G135 VanDerWaalsContact CG1-C 3.42Å; V95-A136 HydrophobicContact CB-CB 4.26Å; V95-A136 HydrophobicContact CG1-CB 3.75Å; V95-A136 HydrophobicContact CG2-CB 4.05Å |
| 96 | S | 94.7 | Very high | 95.8 | Very high | 72 Ų | 72 | 77.7 Ų | 77.7 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 156.9 | 172.4 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | S98 R99 R100 | S96-S98 VanDerWaalsContact C-N 3.34Å; S96-S98 PolarHBondContact O-N 3.05Å; S96-R99 PolarHBondContact O-N 2.88Å; S96-R99 WeakPolarHBondContact OG-CB 3.41Å; S96-R99 PolarHBondContact OG-N 3.48Å; S96-R100 PolarHBondContact O-N 3.14Å |
| 97 | H | 95.1 | Very high | 95.9 | Very high | 151 Ų | 151 | 74.4 Ų | 74.4 | 70% | 0.699 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 177.6 | -75 | -78 | 0 | 0 | 0 | 112.4 | R99 R100 D101 | H97-R99 VanDerWaalsContact C-N 3.35Å; H97-R99 PolarHBondContact O-N 3.17Å; H97-R100 WeakPolarHBondContact O-CB 3.45Å; H97-R100 PolarHBondContact O-N 2.88Å; H97-D101 PolarHBondContact O-N 3.45Å |
| 98 | S | 96.1 | Very high | 96 | Very high | 74 Ų | 74 | 71.6 Ų | 71.6 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.9 | 157.7 | 0 | 0 | 0 | 0 | 111.9 | S96 R100 D101 E102 | S96-S98 VanDerWaalsContact C-N 3.34Å; S96-S98 PolarHBondContact O-N 3.05Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 PolarHBondContact O-N 3.42Å; S98-D101 PolarHBondContact O-N 2.87Å; S98-E102 WeakPolarHBondContact O-CG 3.38Å; S98-E102 PolarHBondContact O-N 2.82Å |
| 99 | R | 95.3 | Very high | 96 | Very high | 54 Ų | 54 | 71 Ų | 71 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 178.2 | -171.2 | 66.5 | -145.8 | 176.9 | -10.7 | 112.4 | V95 S96 H97 D101 E102 C103 A136 F137 H138 | V95-R99 HydrophobicContact CB-CB 4.49Å; S96-R99 PolarHBondContact O-N 2.88Å; S96-R99 WeakPolarHBondContact OG-CB 3.41Å; S96-R99 PolarHBondContact OG-N 3.48Å; H97-R99 VanDerWaalsContact C-N 3.35Å; H97-R99 PolarHBondContact O-N 3.17Å; R99-D101 VanDerWaalsContact C-N 3.34Å; R99-E102 IonicContact CZ-OE2 2.66Å; R99-E102 IonicContact NE-OE2 2.67Å; R99-E102 IonicContact NH1-OE2 2.75Å; R99-E102 PolarHBondContact NH1-OE2 3.4Å; R99-E102 PolarHBondContact O-N 2.76Å; R99-C103 WeakPolarHBondContact O-CB 3.36Å; R99-C103 PolarHBondContact O-N 3.47Å; R99-A136 HydrophobicContact CG-CB 4.37Å; R99-A136 PolarHBondContact NE-O 3.26Å; R99-F137 PolarHBondContact NH2-O 3.18Å; R99-H138 VanDerWaalsContact CZ-CB 3.41Å; R99-H138 VanDerWaalsContact NE-CB 3.3Å; R99-H138 PolarHBondContact NH1-ND1 2.95Å; R99-H138 PolarHBondContact NH2-ND1 3.14Å |
| 100 | R | 95.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 71.4 Ų | 71.4 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 174.8 | -173.3 | 178.2 | -73.5 | 172.8 | 0.3 | 111.6 | V95 S96 H97 S98 C103 K104 I110 C114 | V95-R100 HydrophobicContact CG2-CB 4.09Å; S96-R100 PolarHBondContact O-N 3.14Å; H97-R100 WeakPolarHBondContact O-CB 3.45Å; H97-R100 PolarHBondContact O-N 2.88Å; S98-R100 VanDerWaalsContact C-N 3.34Å; S98-R100 PolarHBondContact O-N 3.42Å; R100-C103 PolarHBondContact O-N 2.82Å; R100-K104 PolarHBondContact O-N 3.36Å; R100-I110 HydrophobicContact CG-CG2 4.4Å; R100-C114 HydrophobicContact CG-CB 4.17Å |
| 101 | D | 96.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 72.9 Ų | 72.9 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68 | -40.2 | 176.8 | -72.1 | -31.1 | 0 | 0 | 0 | 112.1 | H97 S98 R99 C103 K104 W105 | H97-D101 PolarHBondContact O-N 3.45Å; S98-D101 PolarHBondContact O-N 2.87Å; R99-D101 VanDerWaalsContact C-N 3.34Å; D101-C103 PolarHBondContact O-N 2.86Å; D101-K104 WeakPolarHBondContact O-CB 3.15Å; D101-K104 PolarHBondContact O-N 3.47Å; D101-W105 HydrophobicContact CB-CH2 4.35Å; D101-W105 HydrophobicContact CB-CZ2 4.08Å; D101-W105 PolarHBondContact O-N 2.8Å |
| 102 | E | 97 | Very high | 95.3 | Very high | 76 Ų | 76 | 81.3 Ų | 81.3 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 173 | -72.7 | 172 | -170.6 | 0 | 0 | 112.1 | S98 R99 K104 W105 A106 | S98-E102 WeakPolarHBondContact O-CG 3.38Å; S98-E102 PolarHBondContact O-N 2.82Å; R99-E102 IonicContact CZ-OE2 2.66Å; R99-E102 IonicContact NE-OE2 2.67Å; R99-E102 IonicContact NH1-OE2 2.75Å; R99-E102 PolarHBondContact NH1-OE2 3.4Å; R99-E102 PolarHBondContact O-N 2.76Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 2.79Å; E102-W105 HydrophobicContact CG-CE3 4.31Å; E102-W105 HydrophobicContact CG-CZ3 4.29Å; E102-W105 PolarHBondContact O-N 2.01Å; E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 2.83Å |
| 103 | C | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | R99 R100 D101 A106 K108 C114 A136 | R99-C103 WeakPolarHBondContact O-CB 3.36Å; R99-C103 PolarHBondContact O-N 3.47Å; R100-C103 PolarHBondContact O-N 2.82Å; D101-C103 PolarHBondContact O-N 2.86Å; C103-A106 PolarHBondContact O-N 3.47Å; C103-K108 WeakPolarHBondContact O-CB 3Å; C103-K108 PolarHBondContact O-N 3.33Å; C103-C114 VanDerWaalsContact C-SG 3.57Å; C103-C114 HydrophobicContact CB-CB 3.75Å; C103-C114 WeakPolarHBondContact CB-SG 3.5Å; C103-C114 WeakPolarHBondContact SG-CA 3.49Å; C103-C114 WeakPolarHBondContact SG-CB 3.21Å; C103-C114 CovalentContact SG-SG 2.05Å; C103-C114 PolarHBondContact SG-SG 2.75Å; C103-A136 HydrophobicContact CB-CB 3.98Å |
| 104 | K | 96.9 | Very high | 95.2 | Very high | 105 Ų | 105 | 77.4 Ų | 77.4 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.5 | 178.3 | -170.4 | 179.2 | 177.3 | 0 | 112 | R100 D101 E102 A106 G107 I110 | R100-K104 PolarHBondContact O-N 3.36Å; D101-K104 WeakPolarHBondContact O-CB 3.15Å; D101-K104 PolarHBondContact O-N 3.47Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 2.79Å; K104-A106 PolarHBondContact O-N 3.46Å; K104-G107 WeakPolarHBondContact O-CA 2.99Å; K104-G107 PolarHBondContact O-N 2.86Å; K104-I110 HydrophobicContact CB-CD1 4.35Å; K104-I110 HydrophobicContact CB-CG1 4.01Å; K104-I110 HydrophobicContact CD-CD1 3.45Å; K104-I110 VanDerWaalsContact CD-CD1 3.45Å; K104-I110 HydrophobicContact CD-CG1 4.05Å; K104-I110 HydrophobicContact CG-CD1 3.72Å; K104-I110 HydrophobicContact CG-CG1 3.82Å |
| 105 | W | 96.8 | Very high | 95.3 | Very high | 197 Ų | 197 | 74.4 Ų | 74.4 | 75% | 0.746 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.5 | -27.9 | 177.7 | -61.4 | -27.5 | 0 | 0 | 0 | 112.2 | D101 E102 G107 | D101-W105 HydrophobicContact CB-CH2 4.35Å; D101-W105 HydrophobicContact CB-CZ2 4.08Å; D101-W105 PolarHBondContact O-N 2.8Å; E102-W105 HydrophobicContact CG-CE3 4.31Å; E102-W105 HydrophobicContact CG-CZ3 4.29Å; E102-W105 PolarHBondContact O-N 2.01Å; W105-G107 PolarHBondContact O-N 3.05Å |
| 106 | A | 95.8 | Very high | 95.4 | Very high | 54 Ų | 54 | 73.5 Ų | 73.5 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 5.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E102 C103 K104 F194 | E102-A106 WeakPolarHBondContact O-CB 3.4Å; E102-A106 PolarHBondContact O-N 2.83Å; C103-A106 PolarHBondContact O-N 3.47Å; K104-A106 PolarHBondContact O-N 3.46Å; A106-F194 HydrophobicContact CB-CE2 4.16Å; A106-F194 HydrophobicContact CB-CZ 3.65Å |
| 107 | G | 96.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 69% | 0.691 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 16.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K104 W105 | K104-G107 WeakPolarHBondContact O-CA 2.99Å; K104-G107 PolarHBondContact O-N 2.86Å; W105-G107 PolarHBondContact O-N 3.05Å |
| 108 | K | 96.8 | Very high | 95.8 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | trans | -90.2 | 156.6 | 179.8 | -59.8 | -63.7 | -176.6 | 167.7 | 0 | 112.5 | C103 I110 E113 F137 F194 | C103-K108 WeakPolarHBondContact O-CB 3Å; C103-K108 PolarHBondContact O-N 3.33Å; K108-I110 PolarHBondContact O-N 3.1Å; K108-E113 HydrophobicContact CB-CB 4.28Å; K108-F137 HydrophobicContact CB-CE2 4.31Å; K108-F137 HydrophobicContact CD-CD1 4.49Å; K108-F137 HydrophobicContact CD-CD2 4.48Å; K108-F137 HydrophobicContact CD-CE1 3.91Å; K108-F137 HydrophobicContact CD-CE2 3.92Å; K108-F137 HydrophobicContact CD-CZ 3.59Å; K108-F137 VanDerWaalsContact CE-CZ 3.5Å; K108-F137 HydrophobicContact CG-CD2 4.03Å; K108-F137 HydrophobicContact CG-CE1 4.38Å; K108-F137 HydrophobicContact CG-CE2 3.88Å; K108-F137 HydrophobicContact CG-CG 4.39Å; K108-F137 HydrophobicContact CG-CZ 4.05Å; K108-F137 VanDerWaalsContact NZ-CE1 3.31Å; K108-F194 HydrophobicContact CG-CZ 4.22Å | ||
| 109 | D | 95.1 | Very high | 95.9 | Very high | 72 Ų | 72 | 60.7 Ų | 60.7 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | trans | -72.3 | 122.1 | 179.9 | -173.6 | -70.7 | 0 | 0 | 0 | 111.8 | L111 R112 E113 C114 | D109-L111 VanDerWaalsContact C-N 3.3Å; D109-L111 PolarHBondContact O-N 3.49Å; D109-L111 WeakPolarHBondContact OD1-CA 3.47Å; D109-L111 PolarHBondContact OD1-N 3.37Å; D109-R112 HydrophobicContact CB-CB 4.21Å; D109-R112 WeakPolarHBondContact OD1-CB 3.35Å; D109-R112 WeakPolarHBondContact OD1-CG 3.38Å; D109-R112 PolarHBondContact OD1-N 3.4Å; D109-E113 HydrophobicContact CB-CB 4.24Å; D109-E113 HydrophobicContact CB-CG 4.18Å; D109-E113 PolarHBondContact N-OE2 2.85Å; D109-E113 CarbonylContact O-C 3.57Å; D109-E113 WeakPolarHBondContact O-CA 3.3Å; D109-E113 VanDerWaalsContact O-CB 3.3Å; D109-E113 WeakPolarHBondContact O-CB 3.19Å; D109-E113 PolarHBondContact O-N 3.09Å; D109-C114 PolarHBondContact O-N 3.15Å | ||
| 110 | I | 92.6 | Very high | 96 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 35% | 0.354 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -36.1 | -174.7 | -58.3 | 168.1 | 0 | 0 | 0 | 112.3 | R100 K104 K108 | R100-I110 HydrophobicContact CG-CG2 4.4Å; K104-I110 HydrophobicContact CB-CD1 4.35Å; K104-I110 HydrophobicContact CB-CG1 4.01Å; K104-I110 HydrophobicContact CD-CD1 3.45Å; K104-I110 VanDerWaalsContact CD-CD1 3.45Å; K104-I110 HydrophobicContact CD-CG1 4.05Å; K104-I110 HydrophobicContact CG-CD1 3.72Å; K104-I110 HydrophobicContact CG-CG1 3.82Å; K108-I110 PolarHBondContact O-N 3.1Å |
| 111 | L | 88.9 | Confident | 96.1 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 71% | 0.707 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -35.6 | -172.8 | -64.9 | 175.3 | 0 | 0 | 0 | 111.9 | K74 D109 | K74-L111 PolarHBondContact NZ-O 2.77Å; D109-L111 VanDerWaalsContact C-N 3.3Å; D109-L111 PolarHBondContact O-N 3.49Å; D109-L111 WeakPolarHBondContact OD1-CA 3.47Å; D109-L111 PolarHBondContact OD1-N 3.37Å |
| 112 | R | 90.9 | Very high | 96.1 | Very high | 193 Ų | 193 | 53.9 Ų | 53.9 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -27.6 | -171.7 | -57.1 | -175.2 | 77.1 | 155.8 | 4.3 | 113.5 | D109 F117 | D109-R112 HydrophobicContact CB-CB 4.21Å; D109-R112 WeakPolarHBondContact OD1-CB 3.35Å; D109-R112 WeakPolarHBondContact OD1-CG 3.38Å; D109-R112 PolarHBondContact OD1-N 3.4Å; R112-F117 WeakPolarHBondContact O-CZ 3.24Å |
| 113 | E | 95.1 | Very high | 96.1 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -37.4 | -167.4 | -70.8 | -179.4 | 152.7 | 0 | 0 | 112.9 | K108 D109 A115 F137 P173 K174 | K108-E113 HydrophobicContact CB-CB 4.28Å; D109-E113 HydrophobicContact CB-CB 4.24Å; D109-E113 HydrophobicContact CB-CG 4.18Å; D109-E113 PolarHBondContact N-OE2 2.85Å; D109-E113 CarbonylContact O-C 3.57Å; D109-E113 WeakPolarHBondContact O-CA 3.3Å; D109-E113 VanDerWaalsContact O-CB 3.3Å; D109-E113 WeakPolarHBondContact O-CB 3.19Å; D109-E113 PolarHBondContact O-N 3.09Å; E113-A115 VanDerWaalsContact C-N 3.26Å; E113-A115 PolarHBondContact O-N 2.7Å; E113-F137 HydrophobicContact CB-CE2 3.95Å; E113-P173 HydrophobicContact CG-CG 4.45Å; E113-K174 WeakPolarHBondContact OE1-CE 3.19Å; E113-K174 IonicContact OE1-NZ 3.73Å; E113-K174 PolarHBondContact OE1-NZ 2.69Å |
| 114 | C | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -85.4 | 55.4 | -177.4 | -58.9 | 0 | 0 | 0 | 0 | 114.4 | R100 C103 D109 A136 | R100-C114 HydrophobicContact CG-CB 4.17Å; C103-C114 VanDerWaalsContact C-SG 3.57Å; C103-C114 HydrophobicContact CB-CB 3.75Å; C103-C114 WeakPolarHBondContact CB-SG 3.5Å; C103-C114 WeakPolarHBondContact SG-CA 3.49Å; C103-C114 WeakPolarHBondContact SG-CB 3.21Å; C103-C114 CovalentContact SG-SG 2.05Å; C103-C114 PolarHBondContact SG-SG 2.75Å; D109-C114 PolarHBondContact O-N 3.15Å; C114-A136 HydrophobicContact CB-CB 4.24Å |
| 115 | A | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -134.4 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K74 E113 F117 T134 A136 | K74-A115 HydrophobicContact CD-CB 4.19Å; K74-A115 HydrophobicContact CG-CB 3.87Å; E113-A115 VanDerWaalsContact C-N 3.26Å; E113-A115 PolarHBondContact O-N 2.7Å; A115-F117 HydrophobicContact CB-CD2 4.28Å; A115-F117 HydrophobicContact CB-CE2 3.75Å; A115-F117 HydrophobicContact CB-CZ 4.31Å; A115-T134 PolarHBondContact O-OG1 3.26Å; A115-T134 VanDerWaalsContact O-OG1 3.07Å; A115-A136 WeakPolarHBondContact O-CA 3.45Å; A115-A136 PolarHBondContact O-N 3Å |
| 116 | N | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -92.3 | 103.9 | 174.1 | -170.5 | 21.3 | 0 | 0 | 0 | 109.9 | D75 W93 V95 G133 T134 G135 | D75-N116 WeakPolarHBondContact CA-O 3.36Å; D75-N116 PolarHBondContact N-O 3.06Å; D75-N116 PolarHBondContact OD1-N 2.9Å; W93-N116 VanDerWaalsContact CD2-ND2 3.31Å; W93-N116 WeakPolarHBondContact O-CB 3.49Å; W93-N116 PolarHBondContact O-ND2 3.27Å; V95-N116 HydrophobicContact CG1-CB 3.93Å; N116-G133 VanDerWaalsContact OD1-C 3.32Å; N116-G133 VanDerWaalsContact OD1-CA 3.25Å; N116-G133 WeakPolarHBondContact OD1-CA 3.4Å; N116-T134 PolarHBondContact OD1-N 3.47Å; N116-G135 PolarHBondContact OD1-N 2.85Å | ||
| 117 | F | 98.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 120.6 | 175 | -65.4 | -99.6 | 0 | 0 | 0 | 108.8 | K74 R112 A115 K119 G133 T134 P173 | K74-F117 HydrophobicContact CB-CD1 3.95Å; K74-F117 HydrophobicContact CB-CE1 3.82Å; K74-F117 HydrophobicContact CB-CZ 4.46Å; K74-F117 HydrophobicContact CD-CE1 3.96Å; K74-F117 HydrophobicContact CD-CZ 3.9Å; K74-F117 HydrophobicContact CG-CD1 4.2Å; K74-F117 HydrophobicContact CG-CE1 3.79Å; K74-F117 HydrophobicContact CG-CE2 4.44Å; K74-F117 HydrophobicContact CG-CZ 3.93Å; R112-F117 WeakPolarHBondContact O-CZ 3.24Å; A115-F117 HydrophobicContact CB-CD2 4.28Å; A115-F117 HydrophobicContact CB-CE2 3.75Å; A115-F117 HydrophobicContact CB-CZ 4.31Å; F117-K119 WeakPolarHBondContact O-CG 3.45Å; F117-K119 PolarHBondContact O-N 3.12Å; F117-G133 CarbonylContact O-C 3.45Å; F117-G133 WeakPolarHBondContact O-CA 3.44Å; F117-T134 HydrophobicContact CB-CG2 3.93Å; F117-T134 PolarHBondContact N-OG1 3.37Å; F117-T134 PolarHBondContact O-N 2.88Å; F117-P173 HydrophobicContact CB-CB 4.11Å; F117-P173 HydrophobicContact CD1-CB 4.16Å; F117-P173 HydrophobicContact CD2-CB 3.43Å; F117-P173 VanDerWaalsContact CD2-CB 3.43Å; F117-P173 HydrophobicContact CD2-CG 4.04Å; F117-P173 HydrophobicContact CE1-CB 4.44Å; F117-P173 HydrophobicContact CE2-CB 3.75Å; F117-P173 HydrophobicContact CE2-CG 3.94Å; F117-P173 HydrophobicContact CG-CB 3.64Å; F117-P173 HydrophobicContact CZ-CB 4.26Å |
| 118 | I | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122 | -179.2 | -53.7 | -57.9 | 0 | 0 | 0 | 109.6 | T59 A73 I77 W93 | T59-I118 HydrophobicContact CG2-CG2 4.49Å; T59-I118 PolarHBondContact OG1-O 2.9Å; A73-I118 WeakPolarHBondContact O-CG1 3.29Å; A73-I118 PolarHBondContact O-N 2.93Å; I77-I118 HydrophobicContact CD1-CD1 4.18Å; I77-I118 HydrophobicContact CD1-CG1 4.28Å; I77-I118 HydrophobicContact CD1-CG2 4.43Å; I77-I118 HydrophobicContact CG1-CD1 4.16Å; I77-I118 HydrophobicContact CG1-CG1 3.8Å; I77-I118 HydrophobicContact CG1-CG2 4.37Å; W93-I118 HydrophobicContact CD2-CD1 4.45Å; W93-I118 HydrophobicContact CE3-CD1 3.4Å; W93-I118 VanDerWaalsContact CE3-CD1 3.4Å; W93-I118 HydrophobicContact CZ3-CD1 3.64Å |
| 119 | K | 97.8 | Very high | 95 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -22 | -172.4 | -64.9 | -61.6 | -171.5 | 167.2 | 0 | 113.7 | H58 F117 C132 T134 P170 P173 L175 | H58-K119 PolarHBondContact NE2-NZ 2.86Å; F117-K119 WeakPolarHBondContact O-CG 3.45Å; F117-K119 PolarHBondContact O-N 3.12Å; K119-C132 PolarHBondContact N-O 3.31Å; K119-T134 HydrophobicContact CG-CG2 4.01Å; K119-P170 HydrophobicContact CB-CG 4.49Å; K119-P170 HydrophobicContact CG-CG 3.99Å; K119-P173 WeakPolarHBondContact CE-O 3.49Å; K119-P173 PolarHBondContact NZ-O 3.24Å; K119-L175 PolarHBondContact NZ-O 2.69Å |
| 120 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.5 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | K122 A131 C132 K168 T177 L186 | V120-K122 HydrophobicContact CG1-CG 4.07Å; V120-A131 CarbonylContact O-C 3.59Å; V120-A131 VanDerWaalsContact O-CA 3.27Å; V120-A131 WeakPolarHBondContact O-CA 3.4Å; V120-C132 HydrophobicContact CB-CB 3.95Å; V120-C132 HydrophobicContact CG2-CB 4.31Å; V120-C132 PolarHBondContact N-O 3.06Å; V120-C132 VanDerWaalsContact N-O 3.12Å; V120-C132 PolarHBondContact O-N 3.16Å; V120-K168 WeakPolarHBondContact CG2-O 3.38Å; V120-T177 HydrophobicContact CG2-CG2 3.91Å; V120-L186 HydrophobicContact CG1-CD1 4.22Å |
| 121 | L | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 112.8 | 172.3 | -172.4 | 61 | 0 | 0 | 0 | 107.9 | T59 L61 I77 L129 Y130 A131 I144 | T59-L121 HydrophobicContact CG2-CB 3.67Å; L61-L121 HydrophobicContact CB-CD2 4.23Å; L61-L121 HydrophobicContact CB-CG 4.14Å; L61-L121 HydrophobicContact CD2-CG 4.31Å; I77-L121 HydrophobicContact CG2-CD1 4.37Å; I77-L121 HydrophobicContact CG2-CD2 4.23Å; L121-L129 HydrophobicContact CD1-CB 4.42Å; L121-L129 HydrophobicContact CD1-CD1 4.3Å; L121-Y130 WeakPolarHBondContact CA-O 3.41Å; L121-A131 HydrophobicContact CD1-CB 3.86Å; L121-I144 HydrophobicContact CD1-CD1 4.36Å |
| 122 | K | 97.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 36 Ų | 36 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.2 | -175.4 | -61.6 | -64.5 | 176.2 | 180 | 0 | 110.4 | V120 Y124 L129 Y130 S179 L181 | V120-K122 HydrophobicContact CG1-CG 4.07Å; K122-Y124 PolarHBondContact O-N 2.83Å; K122-L129 CarbonylContact O-C 3.54Å; K122-L129 VanDerWaalsContact O-CA 3.27Å; K122-L129 WeakPolarHBondContact O-CA 3.36Å; K122-Y130 PolarHBondContact N-O 2.93Å; K122-Y130 PolarHBondContact O-N 2.91Å; K122-S179 WeakPolarHBondContact CE-O 3.39Å; K122-S179 WeakPolarHBondContact CE-OG 3.09Å; K122-S179 PolarHBondContact NZ-O 2.9Å; K122-L181 HydrophobicContact CB-CB 3.87Å; K122-L181 HydrophobicContact CB-CD2 4.47Å; K122-L181 HydrophobicContact CG-CB 4.13Å |
| 123 | A | 95.7 | Very high | 96.2 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 44% | 0.438 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 122.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L129 L181 | A123-L129 HydrophobicContact CB-CD2 4.33Å; A123-L181 WeakPolarHBondContact O-CD2 3.29Å |
| 124 | Y | 94.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 25.7 Ų | 25.7 | 33% | 0.333 | 13% | 0.13 | S | C | . | . | trans | -86 | -47.6 | 179.2 | -179.3 | -107.1 | 0 | 0 | 0 | 111.3 | K122 H128 Y143 L181 | K122-Y124 PolarHBondContact O-N 2.83Å; Y124-H128 WeakPolarHBondContact CA-O 3.36Å; Y124-H128 WeakPolarHBondContact CB-O 3.39Å; Y124-H128 HydrophobicContact CD1-CB 4.37Å; Y124-H128 PolarHBondContact N-O 3.45Å; Y124-Y143 HydrophobicContact CD1-CD1 4.05Å; Y124-Y143 AromaticContact CD1-CE1 3.78Å; Y124-Y143 HydrophobicContact CD1-CE1 3.78Å; Y124-Y143 AromaticContact CD2-CE1 3.76Å; Y124-Y143 HydrophobicContact CD2-CE1 3.76Å; Y124-Y143 HydrophobicContact CE1-CD1 4.39Å; Y124-Y143 AromaticContact CE1-CE1 3.79Å; Y124-Y143 HydrophobicContact CE1-CE1 3.79Å; Y124-Y143 AromaticContact CE2-CE1 3.79Å; Y124-Y143 HydrophobicContact CE2-CE1 3.79Å; Y124-Y143 HydrophobicContact CG-CD1 4.11Å; Y124-Y143 AromaticContact CG-CE1 3.77Å; Y124-Y143 HydrophobicContact CG-CE1 3.77Å; Y124-Y143 AromaticContact CZ-CE1 3.8Å; Y124-L181 VanDerWaalsContact CA-CD2 3.49Å; Y124-L181 HydrophobicContact CD2-CD2 3.84Å; Y124-L181 HydrophobicContact CG-CD2 4.47Å | ||
| 125 | N | 91.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 25.9 Ų | 25.9 | 40% | 0.401 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -151.7 | -164.8 | 173.8 | 61.7 | 20.2 | 0 | 0 | 0 | 108.2 | T127 H128 | N125-T127 PolarHBondContact O-N 3.23Å; N125-T127 PolarHBondContact OD1-N 3.25Å; N125-T127 PolarHBondContact OD1-OG1 3.24Å; N125-T127 VanDerWaalsContact OD1-OG1 3.11Å; N125-H128 PolarHBondContact N-O 3.22Å; N125-H128 WeakPolarHBondContact OD1-CB 3.26Å; N125-H128 PolarHBondContact OD1-N 3.48Å |
| 126 | Q | 89.4 | Confident | 96.4 | Very high | 154 Ų | 154 | 25.8 Ų | 25.8 | 72% | 0.72 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -71 | -7.4 | 178.6 | -66.1 | 178.6 | -6.7 | 0 | 0 | 114.3 | R66 | R66-Q126 PolarHBondContact NH2-O 3.18Š|
| 127 | T | 92.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 23% | 0.233 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -125.3 | -16.1 | -175.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | N125 V146 G147 S148 | N125-T127 PolarHBondContact O-N 3.23Å; N125-T127 PolarHBondContact OD1-N 3.25Å; N125-T127 PolarHBondContact OD1-OG1 3.24Å; N125-T127 VanDerWaalsContact OD1-OG1 3.11Å; T127-V146 VanDerWaalsContact O-CG2 3.3Å; T127-V146 WeakPolarHBondContact O-CG2 3.5Å; T127-V146 PolarHBondContact O-N 2.91Å; T127-G147 PolarHBondContact O-N 2.91Å; T127-S148 WeakPolarHBondContact CG2-OG 3.39Å |
| 128 | H | 93.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 29 Ų | 29 | 19% | 0.185 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.3 | -172.6 | -65.6 | 72.7 | 0 | 0 | 0 | 111.8 | Y124 N125 I144 | Y124-H128 WeakPolarHBondContact CA-O 3.36Å; Y124-H128 WeakPolarHBondContact CB-O 3.39Å; Y124-H128 HydrophobicContact CD1-CB 4.37Å; Y124-H128 PolarHBondContact N-O 3.45Å; N125-H128 PolarHBondContact N-O 3.22Å; N125-H128 WeakPolarHBondContact OD1-CB 3.26Å; N125-H128 PolarHBondContact OD1-N 3.48Å; H128-I144 CarbonylContact C-O 3.58Å; H128-I144 WeakPolarHBondContact CA-O 3.38Å |
| 129 | L | 96.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 152.9 | 162.3 | -46.4 | 179.1 | 0 | 0 | 0 | 109.5 | L61 Y70 L121 K122 A123 Y143 I144 V146 | L61-L129 HydrophobicContact CD2-CD1 4.29Å; L61-L129 HydrophobicContact CD2-CD2 3.75Å; Y70-L129 HydrophobicContact CD1-CD1 3.74Å; Y70-L129 HydrophobicContact CD2-CD1 3.85Å; Y70-L129 HydrophobicContact CE1-CD1 3.91Å; Y70-L129 HydrophobicContact CE2-CD1 4.03Å; Y70-L129 HydrophobicContact CE2-CD2 4.44Å; Y70-L129 HydrophobicContact CG-CD1 3.7Å; L121-L129 HydrophobicContact CD1-CB 4.42Å; L121-L129 HydrophobicContact CD1-CD1 4.3Å; K122-L129 CarbonylContact O-C 3.54Å; K122-L129 VanDerWaalsContact O-CA 3.27Å; K122-L129 WeakPolarHBondContact O-CA 3.36Å; A123-L129 HydrophobicContact CB-CD2 4.33Å; L129-Y143 CarbonylContact O-C 3.54Å; L129-Y143 WeakPolarHBondContact O-CA 3.24Å; L129-I144 HydrophobicContact CB-CB 4.21Å; L129-I144 PolarHBondContact N-O 2.59Å; L129-I144 PolarHBondContact O-N 3.32Å; L129-V146 HydrophobicContact CD1-CG1 3.73Å; L129-V146 HydrophobicContact CD2-CG1 4.36Å; L129-V146 HydrophobicContact CD2-CG2 4.28Å; L129-V146 HydrophobicContact CG-CG1 3.67Å; L129-V146 HydrophobicContact CG-CG2 4.28Å |
| 130 | Y | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.6 | 168.9 | -168.2 | -107.4 | 0 | 0 | 0 | 109.6 | L121 K122 C132 C141 Y143 E163 K168 L186 L205 | L121-Y130 WeakPolarHBondContact CA-O 3.41Å; K122-Y130 PolarHBondContact N-O 2.93Å; K122-Y130 PolarHBondContact O-N 2.91Å; Y130-C132 WeakPolarHBondContact CE1-SG 3.09Å; Y130-C141 HydrophobicContact CE1-CB 4.12Å; Y130-C141 HydrophobicContact CE2-CB 4.17Å; Y130-C141 WeakPolarHBondContact OH-CB 3.41Å; Y130-C141 PolarHBondContact OH-SG 3.18Å; Y130-Y143 AromaticContact CD2-CD1 3.9Å; Y130-Y143 HydrophobicContact CD2-CD1 3.9Å; Y130-Y143 AromaticContact CD2-CE1 3.54Å; Y130-Y143 HydrophobicContact CD2-CE1 3.54Å; Y130-Y143 HydrophobicContact CD2-CE2 4.3Å; Y130-Y143 HydrophobicContact CD2-CG 4.42Å; Y130-Y143 AromaticContact CD2-CZ 3.74Å; Y130-Y143 HydrophobicContact CE2-CE1 4.05Å; Y130-Y143 HydrophobicContact CE2-CE2 4.1Å; Y130-Y143 AromaticContact CE2-CZ 3.74Å; Y130-E163 PolarHBondContact OH-OE2 2.76Å; Y130-K168 HydrophobicContact CE1-CD 4.32Å; Y130-K168 WeakPolarHBondContact OH-CD 3.22Å; Y130-K168 PolarHBondContact OH-NZ 3.46Å; Y130-L186 HydrophobicContact CD1-CD2 4.37Å; Y130-L186 HydrophobicContact CE1-CD2 3.92Å; Y130-L205 HydrophobicContact CD1-CD1 4.09Å; Y130-L205 HydrophobicContact CD2-CD1 4.39Å; Y130-L205 HydrophobicContact CE1-CD1 3.78Å; Y130-L205 HydrophobicContact CE2-CD1 4.09Å; Y130-L205 HydrophobicContact CE2-CD2 4.28Å; Y130-L205 HydrophobicContact CG-CD1 4.37Å |
| 131 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I77 W93 V120 L121 C141 A142 I144 | I77-A131 HydrophobicContact CD1-CB 3.79Å; W93-A131 HydrophobicContact CZ3-CB 4.2Å; V120-A131 CarbonylContact O-C 3.59Å; V120-A131 VanDerWaalsContact O-CA 3.27Å; V120-A131 WeakPolarHBondContact O-CA 3.4Å; L121-A131 HydrophobicContact CD1-CB 3.86Å; A131-C141 CarbonylContact O-C 3.49Å; A131-C141 WeakPolarHBondContact O-CA 3.34Å; A131-C141 WeakPolarHBondContact O-CB 3.27Å; A131-A142 PolarHBondContact N-O 3.49Å; A131-A142 PolarHBondContact O-N 2.67Å; A131-I144 HydrophobicContact CB-CD1 3.71Å; A131-I144 HydrophobicContact CB-CG1 4.45Å |
| 132 | C | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.3 | 171.9 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | K119 V120 Y130 V140 C141 | K119-C132 PolarHBondContact N-O 3.31Å; V120-C132 HydrophobicContact CB-CB 3.95Å; V120-C132 HydrophobicContact CG2-CB 4.31Å; V120-C132 PolarHBondContact N-O 3.06Å; V120-C132 VanDerWaalsContact N-O 3.12Å; V120-C132 PolarHBondContact O-N 3.16Å; Y130-C132 WeakPolarHBondContact CE1-SG 3.09Å; C132-V140 CarbonylContact C-O 3.51Å; C132-V140 VanDerWaalsContact CA-O 3.27Å; C132-V140 WeakPolarHBondContact CA-O 3.2Å; C132-C141 HydrophobicContact CB-CB 4.02Å; C132-C141 WeakPolarHBondContact CB-SG 3.48Å; C132-C141 WeakPolarHBondContact SG-CB 3.31Å; C132-C141 CovalentContact SG-SG 2.03Å; C132-C141 PolarHBondContact SG-SG 3.44Å |
| 133 | G | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N116 F117 G135 P139 V140 S169 | N116-G133 VanDerWaalsContact OD1-C 3.32Å; N116-G133 VanDerWaalsContact OD1-CA 3.25Å; N116-G133 WeakPolarHBondContact OD1-CA 3.4Å; F117-G133 CarbonylContact O-C 3.45Å; F117-G133 WeakPolarHBondContact O-CA 3.44Å; G133-G135 VanDerWaalsContact C-N 3.31Å; G133-P139 VanDerWaalsContact O-CA 3.29Å; G133-P139 WeakPolarHBondContact O-CA 2.91Å; G133-V140 PolarHBondContact N-O 3.5Å; G133-V140 PolarHBondContact O-N 3.28Å; G133-S169 PolarHBondContact O-OG 3.4Å |
| 134 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -74.2 | -20.1 | -176.5 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | A115 N116 F117 K119 A136 F137 H138 P170 P173 | A115-T134 PolarHBondContact O-OG1 3.26Å; A115-T134 VanDerWaalsContact O-OG1 3.07Å; N116-T134 PolarHBondContact OD1-N 3.47Å; F117-T134 HydrophobicContact CB-CG2 3.93Å; F117-T134 PolarHBondContact N-OG1 3.37Å; F117-T134 PolarHBondContact O-N 2.88Å; K119-T134 HydrophobicContact CG-CG2 4.01Å; T134-A136 VanDerWaalsContact C-N 3.26Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 VanDerWaalsContact O-N 3.12Å; T134-F137 PolarHBondContact O-N 3.21Å; T134-F137 VanDerWaalsContact O-N 3.09Å; T134-H138 CarbonylContact O-C 3.49Å; T134-H138 PolarHBondContact O-N 3.44Å; T134-P170 WeakPolarHBondContact CA-O 3.2Å; T134-P170 WeakPolarHBondContact CG2-O 3.49Å; T134-P173 HydrophobicContact CG2-CB 4.24Å | ||
| 135 | G | 97.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V95 N116 G133 H138 | V95-G135 VanDerWaalsContact CG1-C 3.42Å; N116-G135 PolarHBondContact OD1-N 2.85Å; G133-G135 VanDerWaalsContact C-N 3.31Å; G135-H138 VanDerWaalsContact CA-O 3.24Å; G135-H138 WeakPolarHBondContact CA-O 3.41Å; G135-H138 WeakPolarHBondContact O-CB 3.09Å; G135-H138 PolarHBondContact O-N 3.47Å |
| 136 | A | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 63.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V95 R99 C103 C114 A115 T134 H138 | V95-A136 HydrophobicContact CB-CB 4.26Å; V95-A136 HydrophobicContact CG1-CB 3.75Å; V95-A136 HydrophobicContact CG2-CB 4.05Å; R99-A136 HydrophobicContact CG-CB 4.37Å; R99-A136 PolarHBondContact NE-O 3.26Å; C103-A136 HydrophobicContact CB-CB 3.98Å; C114-A136 HydrophobicContact CB-CB 4.24Å; A115-A136 WeakPolarHBondContact O-CA 3.45Å; A115-A136 PolarHBondContact O-N 3Å; T134-A136 VanDerWaalsContact C-N 3.26Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 VanDerWaalsContact O-N 3.12Å; A136-H138 PolarHBondContact O-N 2.76Å |
| 137 | F | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 36.1 | -174.5 | -67.5 | -107.1 | 0 | 0 | 0 | 112.3 | R99 K108 E113 T134 Y171 D172 F194 | R99-F137 PolarHBondContact NH2-O 3.18Å; K108-F137 HydrophobicContact CB-CE2 4.31Å; K108-F137 HydrophobicContact CD-CD1 4.49Å; K108-F137 HydrophobicContact CD-CD2 4.48Å; K108-F137 HydrophobicContact CD-CE1 3.91Å; K108-F137 HydrophobicContact CD-CE2 3.92Å; K108-F137 HydrophobicContact CD-CZ 3.59Å; K108-F137 VanDerWaalsContact CE-CZ 3.5Å; K108-F137 HydrophobicContact CG-CD2 4.03Å; K108-F137 HydrophobicContact CG-CE1 4.38Å; K108-F137 HydrophobicContact CG-CE2 3.88Å; K108-F137 HydrophobicContact CG-CG 4.39Å; K108-F137 HydrophobicContact CG-CZ 4.05Å; K108-F137 VanDerWaalsContact NZ-CE1 3.31Å; E113-F137 HydrophobicContact CB-CE2 3.95Å; T134-F137 PolarHBondContact O-N 3.21Å; T134-F137 VanDerWaalsContact O-N 3.09Å; F137-Y171 HydrophobicContact CB-CD1 4.38Å; F137-Y171 WeakPolarHBondContact O-CD1 3.42Å; F137-D172 HydrophobicContact CE1-CB 3.74Å; F137-D172 HydrophobicContact CZ-CB 3.92Å; F137-F194 HydrophobicContact CB-CD2 3.72Å; F137-F194 HydrophobicContact CB-CE2 3.43Å; F137-F194 VanDerWaalsContact CB-CE2 3.43Å; F137-F194 HydrophobicContact CB-CZ 4.47Å; F137-F194 AromaticContact CD1-CD2 3.81Å; F137-F194 HydrophobicContact CD1-CD2 3.81Å; F137-F194 AromaticContact CD1-CE2 3.57Å; F137-F194 HydrophobicContact CD1-CE2 3.57Å; F137-F194 HydrophobicContact CD1-CG 4.41Å; F137-F194 AromaticContact CD1-CZ 3.98Å; F137-F194 HydrophobicContact CD1-CZ 3.98Å; F137-F194 HydrophobicContact CG-CD2 4.18Å; F137-F194 AromaticContact CG-CE2 3.72Å; F137-F194 HydrophobicContact CG-CE2 3.72Å; F137-F194 HydrophobicContact CG-CZ 4.36Å |
| 138 | H | 97.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 16.2 Ų | 16.2 | 38% | 0.375 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -143.9 | 86.4 | 167.7 | -155.3 | 127.1 | 0 | 0 | 0 | 107.9 | R99 T134 G135 A136 V140 | R99-H138 VanDerWaalsContact CZ-CB 3.41Å; R99-H138 VanDerWaalsContact NE-CB 3.3Å; R99-H138 PolarHBondContact NH1-ND1 2.95Å; R99-H138 PolarHBondContact NH2-ND1 3.14Å; T134-H138 CarbonylContact O-C 3.49Å; T134-H138 PolarHBondContact O-N 3.44Å; G135-H138 VanDerWaalsContact CA-O 3.24Å; G135-H138 WeakPolarHBondContact CA-O 3.41Å; G135-H138 WeakPolarHBondContact O-CB 3.09Å; G135-H138 PolarHBondContact O-N 3.47Å; A136-H138 PolarHBondContact O-N 2.76Å; H138-V140 PolarHBondContact O-N 3.43Å |
| 139 | P | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -54.8 | 128.7 | -177.4 | -29.3 | 37.5 | 0 | 0 | 0 | 111.6 | G133 G165 S169 Y171 | G133-P139 VanDerWaalsContact O-CA 3.29Å; G133-P139 WeakPolarHBondContact O-CA 2.91Å; P139-G165 VanDerWaalsContact CB-C 3.43Å; P139-G165 WeakPolarHBondContact CB-O 3.31Å; P139-G165 WeakPolarHBondContact O-CA 3.34Å; P139-G165 PolarHBondContact O-N 3.39Å; P139-S169 WeakPolarHBondContact CB-O 3.31Å; P139-S169 WeakPolarHBondContact CG-O 3.3Å; P139-Y171 VanDerWaalsContact CD-CD1 3.47Å; P139-Y171 VanDerWaalsContact CD-CZ 3.5Å; P139-Y171 HydrophobicContact CG-CD1 4.14Å; P139-Y171 HydrophobicContact CG-CD2 3.59Å; P139-Y171 HydrophobicContact CG-CE1 4.21Å; P139-Y171 HydrophobicContact CG-CE2 3.68Å; P139-Y171 HydrophobicContact CG-CG 3.82Å | ||
| 140 | V | 97.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.218 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.3 | -179.5 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | W93 C132 G133 H138 | W93-V140 HydrophobicContact CH2-CG2 4.37Å; W93-V140 HydrophobicContact CZ2-CB 4.44Å; W93-V140 HydrophobicContact CZ2-CG2 3.85Å; C132-V140 CarbonylContact C-O 3.51Å; C132-V140 VanDerWaalsContact CA-O 3.27Å; C132-V140 WeakPolarHBondContact CA-O 3.2Å; G133-V140 PolarHBondContact N-O 3.5Å; G133-V140 PolarHBondContact O-N 3.28Å; H138-V140 PolarHBondContact O-N 3.43Å |
| 141 | C | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 156.9 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Y130 A131 C132 F162 E163 G165 K168 | Y130-C141 HydrophobicContact CE1-CB 4.12Å; Y130-C141 HydrophobicContact CE2-CB 4.17Å; Y130-C141 WeakPolarHBondContact OH-CB 3.41Å; Y130-C141 PolarHBondContact OH-SG 3.18Å; A131-C141 CarbonylContact O-C 3.49Å; A131-C141 WeakPolarHBondContact O-CA 3.34Å; A131-C141 WeakPolarHBondContact O-CB 3.27Å; C132-C141 HydrophobicContact CB-CB 4.02Å; C132-C141 WeakPolarHBondContact CB-SG 3.48Å; C132-C141 WeakPolarHBondContact SG-CB 3.31Å; C132-C141 CovalentContact SG-SG 2.03Å; C132-C141 PolarHBondContact SG-SG 3.44Å; C141-F162 WeakPolarHBondContact O-CA 3.1Å; C141-E163 HydrophobicContact CB-CB 4.24Å; C141-E163 PolarHBondContact N-O 3.46Å; C141-E163 PolarHBondContact O-N 3.37Å; C141-G165 VanDerWaalsContact SG-CA 3.53Å; C141-K168 VanDerWaalsContact SG-CD 3.6Å |
| 142 | A | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 160.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W93 A131 M157 F162 | W93-A142 HydrophobicContact CH2-CB 3.83Å; W93-A142 HydrophobicContact CZ2-CB 3.86Å; A131-A142 PolarHBondContact N-O 3.49Å; A131-A142 PolarHBondContact O-N 2.67Å; A142-M157 HydrophobicContact CB-CE 3.59Å; A142-M157 HydrophobicContact CB-CG 4.38Å; A142-M157 HydrophobicContact CB-SD 4.11Å; A142-F162 HydrophobicContact CB-CD1 3.88Å; A142-F162 HydrophobicContact CB-CE1 3.88Å |
| 143 | Y | 96.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146.7 | 170.1 | -61 | -91.7 | 0 | 0 | 0 | 110.5 | Y124 L129 Y130 E158 E163 | Y124-Y143 HydrophobicContact CD1-CD1 4.05Å; Y124-Y143 AromaticContact CD1-CE1 3.78Å; Y124-Y143 HydrophobicContact CD1-CE1 3.78Å; Y124-Y143 AromaticContact CD2-CE1 3.76Å; Y124-Y143 HydrophobicContact CD2-CE1 3.76Å; Y124-Y143 HydrophobicContact CE1-CD1 4.39Å; Y124-Y143 AromaticContact CE1-CE1 3.79Å; Y124-Y143 HydrophobicContact CE1-CE1 3.79Å; Y124-Y143 AromaticContact CE2-CE1 3.79Å; Y124-Y143 HydrophobicContact CE2-CE1 3.79Å; Y124-Y143 HydrophobicContact CG-CD1 4.11Å; Y124-Y143 AromaticContact CG-CE1 3.77Å; Y124-Y143 HydrophobicContact CG-CE1 3.77Å; Y124-Y143 AromaticContact CZ-CE1 3.8Å; L129-Y143 CarbonylContact O-C 3.54Å; L129-Y143 WeakPolarHBondContact O-CA 3.24Å; Y130-Y143 AromaticContact CD2-CD1 3.9Å; Y130-Y143 HydrophobicContact CD2-CD1 3.9Å; Y130-Y143 AromaticContact CD2-CE1 3.54Å; Y130-Y143 HydrophobicContact CD2-CE1 3.54Å; Y130-Y143 HydrophobicContact CD2-CE2 4.3Å; Y130-Y143 HydrophobicContact CD2-CG 4.42Å; Y130-Y143 AromaticContact CD2-CZ 3.74Å; Y130-Y143 HydrophobicContact CE2-CE1 4.05Å; Y130-Y143 HydrophobicContact CE2-CE2 4.1Å; Y130-Y143 AromaticContact CE2-CZ 3.74Å; Y143-E158 PolarHBondContact O-N 3.19Å; Y143-E163 WeakPolarHBondContact CE2-OE1 3.46Å; Y143-E163 PolarHBondContact OH-OE1 2.96Å; Y143-E163 VanDerWaalsContact OH-OE1 3.13Å |
| 144 | I | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.5 | 177.8 | -58.9 | 168.6 | 0 | 0 | 0 | 107.8 | I77 I91 L121 H128 L129 A131 V146 F155 K156 M157 | I77-I144 HydrophobicContact CD1-CD1 3.36Å; I77-I144 HydrophobicContact CG2-CD1 4.28Å; I91-I144 HydrophobicContact CD1-CD1 4.4Å; I91-I144 HydrophobicContact CD1-CG1 4.33Å; I91-I144 HydrophobicContact CD1-CG2 3.51Å; L121-I144 HydrophobicContact CD1-CD1 4.36Å; H128-I144 CarbonylContact C-O 3.58Å; H128-I144 WeakPolarHBondContact CA-O 3.38Å; L129-I144 HydrophobicContact CB-CB 4.21Å; L129-I144 PolarHBondContact N-O 2.59Å; L129-I144 PolarHBondContact O-N 3.32Å; A131-I144 HydrophobicContact CB-CD1 3.71Å; A131-I144 HydrophobicContact CB-CG1 4.45Å; I144-V146 HydrophobicContact CG2-CG1 4.36Å; I144-F155 HydrophobicContact CG2-CD2 3.87Å; I144-F155 HydrophobicContact CG2-CE2 3.73Å; I144-K156 CarbonylContact C-O 3.49Å; I144-K156 WeakPolarHBondContact CA-O 3.48Å; I144-M157 HydrophobicContact CD1-CE 4.36Å; I144-M157 HydrophobicContact CG1-CE 3.99Å |
| 145 | E | 94.7 | Very high | 89.7 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128 | 175.3 | -166 | -177.7 | -177.4 | 0 | 0 | 109.7 | I154 F155 K156 | E145-I154 HydrophobicContact CB-CG2 4.04Å; E145-I154 HydrophobicContact CG-CG2 3.76Å; E145-F155 WeakPolarHBondContact O-CA 3.4Å; E145-K156 PolarHBondContact N-O 3.16Å; E145-K156 PolarHBondContact O-N 3.14Å; E145-K156 VanDerWaalsContact O-N 3.09Å |
| 146 | V | 93.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | -121.4 | 0 | 179.3 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | Y70 T127 L129 I144 I154 F155 | Y70-V146 HydrophobicContact CE1-CG1 3.87Å; T127-V146 VanDerWaalsContact O-CG2 3.3Å; T127-V146 WeakPolarHBondContact O-CG2 3.5Å; T127-V146 PolarHBondContact O-N 2.91Å; L129-V146 HydrophobicContact CD1-CG1 3.73Å; L129-V146 HydrophobicContact CD2-CG1 4.36Å; L129-V146 HydrophobicContact CD2-CG2 4.28Å; L129-V146 HydrophobicContact CG-CG1 3.67Å; L129-V146 HydrophobicContact CG-CG2 4.28Å; I144-V146 HydrophobicContact CG2-CG1 4.36Å; V146-I154 CarbonylContact C-O 3.53Å; V146-I154 VanDerWaalsContact CA-O 3.3Å; V146-I154 WeakPolarHBondContact CA-O 3.39Å; V146-F155 HydrophobicContact CG1-CD2 4.07Å | ||
| 147 | G | 86.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | 72.8 | 165.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T127 | T127-G147 PolarHBondContact O-N 2.91Š| ||
| 148 | S | 79.8 | Confident | 89 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -83 | -33.1 | 178 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | T127 D152 | T127-S148 WeakPolarHBondContact CG2-OG 3.39Å; S148-D152 PolarHBondContact N-OD2 2.94Å |
| 149 | H | 75.6 | Confident | 87.8 | Confident | 117 Ų | 117 | 53.5 Ų | 53.5 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -119.1 | 151.3 | -175 | -60.5 | -54.4 | 0 | 0 | 0 | 111.5 | E151 D152 | H149-E151 HydrophobicContact CB-CG 4.25Å; H149-E151 PolarHBondContact O-N 3.01Å; H149-D152 PolarHBondContact N-OD2 2.76Å; H149-D152 WeakPolarHBondContact O-CB 3.24Å; H149-D152 PolarHBondContact O-N 3.22Å; H149-D152 VanDerWaalsContact O-N 3.16Å |
| 150 | P | 70.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -58 | -30.8 | 175.9 | -20.7 | 31.2 | 0 | 0 | 0 | 113 | D152 N153 | P150-D152 VanDerWaalsContact C-N 3.25Å; P150-D152 PolarHBondContact O-N 2.79Å; P150-N153 PolarHBondContact O-N 3.42Å |
| 151 | E | 74.8 | Confident | 85.2 | Confident | 164 Ų | 164 | 60.6 Ų | 60.6 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -59.7 | -33.5 | 179.5 | -39.7 | -78.4 | 165.4 | 0 | 0 | 112.6 | H149 N153 | H149-E151 HydrophobicContact CB-CG 4.25Å; H149-E151 PolarHBondContact O-N 3.01Å; E151-N153 PolarHBondContact O-N 2.89Å; E151-N153 VanDerWaalsContact O-N 3.15Å; E151-N153 PolarHBondContact O-ND2 3.47Å |
| 152 | D | 75.1 | Confident | 84.9 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.5 | -27.8 | -171.7 | -61.2 | -22.1 | 0 | 0 | 0 | 111 | S148 H149 P150 I154 | S148-D152 PolarHBondContact N-OD2 2.94Å; H149-D152 PolarHBondContact N-OD2 2.76Å; H149-D152 WeakPolarHBondContact O-CB 3.24Å; H149-D152 PolarHBondContact O-N 3.22Å; H149-D152 VanDerWaalsContact O-N 3.16Å; P150-D152 VanDerWaalsContact C-N 3.25Å; P150-D152 PolarHBondContact O-N 2.79Å; D152-I154 HydrophobicContact CB-CD1 4.01Å; D152-I154 HydrophobicContact CB-CG1 3.98Å; D152-I154 WeakPolarHBondContact O-CG1 3.48Å; D152-I154 PolarHBondContact O-N 2.93Å |
| 153 | N | 78.6 | Confident | 84.8 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | trans | 50.7 | 26.4 | -179.3 | -73.7 | -62.1 | 0 | 0 | 0 | 114.1 | R68 Q89 P150 E151 | R68-N153 PolarHBondContact NH2-OD1 3.28Å; Q89-N153 PolarHBondContact NE2-O 2.87Å; P150-N153 PolarHBondContact O-N 3.42Å; E151-N153 PolarHBondContact O-N 2.89Å; E151-N153 VanDerWaalsContact O-N 3.15Å; E151-N153 PolarHBondContact O-ND2 3.47Å | ||
| 154 | I | 90.1 | Very high | 84.8 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | trans | -81.4 | 130.9 | 178.8 | -57.8 | 172.6 | 0 | 0 | 0 | 108.6 | E145 V146 D152 | E145-I154 HydrophobicContact CB-CG2 4.04Å; E145-I154 HydrophobicContact CG-CG2 3.76Å; V146-I154 CarbonylContact C-O 3.53Å; V146-I154 VanDerWaalsContact CA-O 3.3Å; V146-I154 WeakPolarHBondContact CA-O 3.39Å; D152-I154 HydrophobicContact CB-CD1 4.01Å; D152-I154 HydrophobicContact CB-CG1 3.98Å; D152-I154 WeakPolarHBondContact O-CG1 3.48Å; D152-I154 PolarHBondContact O-N 2.93Å | ||
| 155 | F | 94.4 | Very high | 84.8 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | trans | -152.6 | 85.1 | 169.9 | -173.7 | -123 | 0 | 0 | 0 | 108.7 | Y70 I77 Q89 I91 I144 E145 V146 | Y70-F155 HydrophobicContact CD1-CD2 4.35Å; Y70-F155 AromaticContact CD1-CE2 3.67Å; Y70-F155 HydrophobicContact CD1-CE2 3.67Å; Y70-F155 HydrophobicContact CD1-CZ 4.22Å; Y70-F155 AromaticContact CE1-CD2 3.95Å; Y70-F155 HydrophobicContact CE1-CD2 3.95Å; Y70-F155 AromaticContact CE1-CE2 3.73Å; Y70-F155 HydrophobicContact CE1-CE2 3.73Å; I77-F155 HydrophobicContact CB-CZ 4.39Å; I77-F155 HydrophobicContact CG2-CZ 3.91Å; Q89-F155 HydrophobicContact CB-CB 4.46Å; Q89-F155 HydrophobicContact CB-CD1 3.82Å; Q89-F155 HydrophobicContact CB-CG 4.5Å; Q89-F155 VanDerWaalsContact OE1-CB 3.28Å; I91-F155 HydrophobicContact CB-CE1 4.31Å; I91-F155 HydrophobicContact CD1-CD1 3.96Å; I91-F155 HydrophobicContact CD1-CD2 4.12Å; I91-F155 HydrophobicContact CD1-CE1 3.77Å; I91-F155 HydrophobicContact CD1-CE2 3.94Å; I91-F155 HydrophobicContact CD1-CG 4.15Å; I91-F155 HydrophobicContact CD1-CZ 3.76Å; I91-F155 HydrophobicContact CG1-CD1 3.83Å; I91-F155 HydrophobicContact CG1-CE1 3.67Å; I91-F155 HydrophobicContact CG1-CG 4.45Å; I91-F155 HydrophobicContact CG1-CZ 4.14Å; I144-F155 HydrophobicContact CG2-CD2 3.87Å; I144-F155 HydrophobicContact CG2-CE2 3.73Å; E145-F155 WeakPolarHBondContact O-CA 3.4Å; V146-F155 HydrophobicContact CG1-CD2 4.07Å | ||
| 156 | K | 93.9 | Very high | 84.9 | Confident | 126 Ų | 126 | 74.5 Ų | 74.5 | 55% | 0.548 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.1 | -170.5 | -171.8 | -174.4 | 170.4 | -168.5 | 0 | 111.4 | I144 E145 | I144-K156 CarbonylContact C-O 3.49Å; I144-K156 WeakPolarHBondContact CA-O 3.48Å; E145-K156 PolarHBondContact N-O 3.16Å; E145-K156 PolarHBondContact O-N 3.14Å; E145-K156 VanDerWaalsContact O-N 3.09Å |
| 157 | M | 93.1 | Very high | 85 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 5% | 0.054 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.2 | 172.5 | 179 | 150 | -82.6 | 0 | 0 | 111 | I91 W93 A142 I144 D159 F162 | I91-M157 HydrophobicContact CD1-CB 4.48Å; I91-M157 HydrophobicContact CG2-CB 4.07Å; W93-M157 HydrophobicContact CB-SD 4.45Å; W93-M157 HydrophobicContact CD2-CE 3.62Å; W93-M157 HydrophobicContact CD2-SD 3.72Å; W93-M157 HydrophobicContact CE3-CE 3.53Å; W93-M157 HydrophobicContact CE3-SD 4.28Å; W93-M157 HydrophobicContact CG-CE 4.19Å; W93-M157 HydrophobicContact CG-SD 3.79Å; W93-M157 HydrophobicContact CH2-CE 4.1Å; W93-M157 HydrophobicContact CZ2-CE 4.17Å; W93-M157 HydrophobicContact CZ2-SD 4.36Å; W93-M157 HydrophobicContact CZ3-CE 3.79Å; A142-M157 HydrophobicContact CB-CE 3.59Å; A142-M157 HydrophobicContact CB-CG 4.38Å; A142-M157 HydrophobicContact CB-SD 4.11Å; I144-M157 HydrophobicContact CD1-CE 4.36Å; I144-M157 HydrophobicContact CG1-CE 3.99Å; M157-D159 PolarHBondContact O-N 3.3Å; M157-F162 HydrophobicContact SD-CE1 3.85Å; M157-F162 HydrophobicContact SD-CZ 4.16Å |
| 158 | E | 90.1 | Very high | 85.5 | Confident | 70 Ų | 70 | 75 Ų | 75 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | trans | -84.3 | 88 | 174.2 | -162.8 | 179.2 | 169.9 | 0 | 0 | 110.4 | Y143 A160 H161 | Y143-E158 PolarHBondContact O-N 3.19Å; E158-A160 PolarHBondContact O-N 3.16Å; E158-H161 PolarHBondContact O-N 3.44Å; E158-H161 IonicContact OE1-CE1 2.71Å; E158-H161 PolarHBondContact OE1-CE1 3.36Å; E158-H161 IonicContact OE1-CG 3.25Å; E158-H161 IonicContact OE1-ND1 3.93Å; E158-H161 PolarHBondContact OE1-ND1 3.12Å | ||
| 159 | D | 72.5 | Confident | 86.4 | Confident | 110 Ų | 110 | 72.3 Ų | 72.3 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15 | -169.4 | -62.6 | -40.9 | 0 | 0 | 0 | 115.1 | M157 | M157-D159 PolarHBondContact O-N 3.3Š|
| 160 | A | 65.2 | Low | 87.5 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 69% | 0.686 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E158 | E158-A160 PolarHBondContact O-N 3.16Š|
| 161 | H | 75.5 | Confident | 88.8 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | trans | -131.9 | 60.7 | -166.3 | -63.8 | 111.9 | 0 | 0 | 0 | 113 | E158 | E158-H161 PolarHBondContact O-N 3.44Å; E158-H161 IonicContact OE1-CE1 2.71Å; E158-H161 PolarHBondContact OE1-CE1 3.36Å; E158-H161 IonicContact OE1-CG 3.25Å; E158-H161 IonicContact OE1-ND1 3.93Å; E158-H161 PolarHBondContact OE1-ND1 3.12Å | ||
| 162 | F | 91.2 | Very high | 89.8 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -77.6 | 125.7 | 168.9 | -67.9 | -64.3 | 0 | 0 | 0 | 111.3 | W93 C141 A142 M157 | W93-F162 AromaticContact CE2-CE1 3.64Å; W93-F162 AromaticContact CZ2-CD1 3.86Å; W93-F162 HydrophobicContact CZ2-CD1 3.86Å; W93-F162 AromaticContact CZ2-CE1 3.65Å; W93-F162 HydrophobicContact CZ2-CE1 3.65Å; W93-F162 AromaticContact NE1-CE1 3.26Å; W93-F162 VanDerWaalsContact NE1-CE1 3.26Å; W93-F162 AromaticContact NE1-CZ 3.8Å; C141-F162 WeakPolarHBondContact O-CA 3.1Å; A142-F162 HydrophobicContact CB-CD1 3.88Å; A142-F162 HydrophobicContact CB-CE1 3.88Å; M157-F162 HydrophobicContact SD-CE1 3.85Å; M157-F162 HydrophobicContact SD-CZ 4.16Å | ||
| 163 | E | 94.3 | Very high | 90.8 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 155.3 | 177.5 | -66.3 | -178.4 | 179.4 | 0 | 0 | 111.9 | Y130 C141 Y143 G165 K168 L205 | Y130-E163 PolarHBondContact OH-OE2 2.76Å; C141-E163 HydrophobicContact CB-CB 4.24Å; C141-E163 PolarHBondContact N-O 3.46Å; C141-E163 PolarHBondContact O-N 3.37Å; Y143-E163 WeakPolarHBondContact CE2-OE1 3.46Å; Y143-E163 PolarHBondContact OH-OE1 2.96Å; Y143-E163 VanDerWaalsContact OH-OE1 3.13Å; E163-G165 PolarHBondContact O-N 2.95Å; E163-K168 IonicContact OE2-NZ 2.98Å; E163-K168 PolarHBondContact OE2-NZ 2.82Å; E163-L205 WeakPolarHBondContact OE2-CD2 3.38Å |
| 164 | N | 95 | Very high | 91.6 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 126.2 | 168.3 | -171.5 | -24.5 | 0 | 0 | 0 | 110.2 | R166 K168 | N164-R166 WeakPolarHBondContact OD1-CB 3.14Å; N164-R166 PolarHBondContact OD1-N 2.94Å; N164-K168 PolarHBondContact O-NZ 2.73Å |
| 165 | G | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -94.2 | 2.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P139 C141 E163 G167 K168 S169 | P139-G165 VanDerWaalsContact CB-C 3.43Å; P139-G165 WeakPolarHBondContact CB-O 3.31Å; P139-G165 WeakPolarHBondContact O-CA 3.34Å; P139-G165 PolarHBondContact O-N 3.39Å; C141-G165 VanDerWaalsContact SG-CA 3.53Å; E163-G165 PolarHBondContact O-N 2.95Å; G165-G167 PolarHBondContact O-N 2.79Å; G165-K168 WeakPolarHBondContact O-CA 3.33Å; G165-K168 WeakPolarHBondContact O-CB 3.48Å; G165-K168 PolarHBondContact O-N 3.14Å; G165-S169 PolarHBondContact O-N 3.08Å | ||
| 166 | R | 97 | Very high | 91.8 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -58.8 | 126.7 | 179.8 | -176.5 | 178.2 | -176.6 | -169 | -3.7 | 110.4 | N164 K168 Y171 A192 | N164-R166 WeakPolarHBondContact OD1-CB 3.14Å; N164-R166 PolarHBondContact OD1-N 2.94Å; R166-K168 PolarHBondContact O-N 2.88Å; R166-Y171 HydrophobicContact CG-CE2 4.33Å; R166-A192 HydrophobicContact CG-CB 4.31Å; R166-A192 WeakPolarHBondContact CG-O 3.43Å; R166-A192 PolarHBondContact NE-O 2.68Å |
| 167 | G | 95.6 | Very high | 92 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -4.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G165 S188 T190 F202 | G165-G167 PolarHBondContact O-N 2.79Å; G167-S188 PolarHBondContact O-OG 3.46Å; G167-T190 WeakPolarHBondContact O-CG2 3.33Å; G167-F202 VanDerWaalsContact O-CD2 3.29Å; G167-F202 WeakPolarHBondContact O-CD2 3.21Å |
| 168 | K | 97.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -37.3 | 173.5 | -53.8 | 178.7 | -179.4 | 163.5 | 0 | 111.6 | V120 Y130 C141 E163 N164 G165 R166 L186 T204 | V120-K168 WeakPolarHBondContact CG2-O 3.38Å; Y130-K168 HydrophobicContact CE1-CD 4.32Å; Y130-K168 WeakPolarHBondContact OH-CD 3.22Å; Y130-K168 PolarHBondContact OH-NZ 3.46Å; C141-K168 VanDerWaalsContact SG-CD 3.6Å; E163-K168 IonicContact OE2-NZ 2.98Å; E163-K168 PolarHBondContact OE2-NZ 2.82Å; N164-K168 PolarHBondContact O-NZ 2.73Å; G165-K168 WeakPolarHBondContact O-CA 3.33Å; G165-K168 WeakPolarHBondContact O-CB 3.48Å; G165-K168 PolarHBondContact O-N 3.14Å; R166-K168 PolarHBondContact O-N 2.88Å; K168-L186 HydrophobicContact CB-CD2 3.81Å; K168-L186 HydrophobicContact CD-CD2 4.22Å; K168-L186 HydrophobicContact CG-CD2 3.94Å; K168-T204 HydrophobicContact CG-CG2 4.25Å; K168-T204 WeakPolarHBondContact CG-OG1 3.45Å |
| 169 | S | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -137.5 | 147.2 | -178.7 | 172.8 | 0 | 0 | 0 | 0 | 109.4 | G133 P139 G165 | G133-S169 PolarHBondContact O-OG 3.4Å; P139-S169 WeakPolarHBondContact CB-O 3.31Å; P139-S169 WeakPolarHBondContact CG-O 3.3Å; G165-S169 PolarHBondContact O-N 3.08Å |
| 170 | P | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -77.9 | 158.4 | -177.6 | 30.4 | -26 | 0 | 0 | 0 | 111 | K119 T134 L175 T177 T190 | K119-P170 HydrophobicContact CB-CG 4.49Å; K119-P170 HydrophobicContact CG-CG 3.99Å; T134-P170 WeakPolarHBondContact CA-O 3.2Å; T134-P170 WeakPolarHBondContact CG2-O 3.49Å; P170-L175 HydrophobicContact CB-CB 3.9Å; P170-L175 HydrophobicContact CB-CD1 4.49Å; P170-L175 HydrophobicContact CG-CB 4.32Å; P170-T177 VanDerWaalsContact CD-OG1 3.25Å; P170-T177 WeakPolarHBondContact CD-OG1 3.48Å; P170-T190 WeakPolarHBondContact CB-OG1 3.14Å | ||
| 171 | Y | 97.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -74.2 | -45.7 | 172.1 | -73.4 | -107.4 | 0 | 0 | 0 | 111.5 | F137 P139 R166 A192 D193 F194 | F137-Y171 HydrophobicContact CB-CD1 4.38Å; F137-Y171 WeakPolarHBondContact O-CD1 3.42Å; P139-Y171 VanDerWaalsContact CD-CD1 3.47Å; P139-Y171 VanDerWaalsContact CD-CZ 3.5Å; P139-Y171 HydrophobicContact CG-CD1 4.14Å; P139-Y171 HydrophobicContact CG-CD2 3.59Å; P139-Y171 HydrophobicContact CG-CE1 4.21Å; P139-Y171 HydrophobicContact CG-CE2 3.68Å; P139-Y171 HydrophobicContact CG-CG 3.82Å; R166-Y171 HydrophobicContact CG-CE2 4.33Å; Y171-A192 WeakPolarHBondContact CE2-O 3.2Å; Y171-D193 VanDerWaalsContact CD2-C 3.43Å; Y171-D193 VanDerWaalsContact CD2-O 3.27Å; Y171-D193 WeakPolarHBondContact CD2-O 3.47Å; Y171-F194 HydrophobicContact CD1-CB 4.2Å; Y171-F194 HydrophobicContact CD1-CD2 4.26Å |
| 172 | D | 97 | Very high | 96.3 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -87.9 | 127.2 | -177.9 | -168.8 | -44.7 | 0 | 0 | 0 | 111 | F137 K174 L175 | F137-D172 HydrophobicContact CE1-CB 3.74Å; F137-D172 HydrophobicContact CZ-CB 3.92Å; D172-K174 PolarHBondContact O-N 2.77Å; D172-K174 VanDerWaalsContact OD1-CB 3.32Å; D172-K174 WeakPolarHBondContact OD1-CB 3.21Å; D172-K174 WeakPolarHBondContact OD1-CG 3.31Å; D172-K174 PolarHBondContact OD1-N 2.69Å; D172-L175 HydrophobicContact CB-CD1 4.04Å; D172-L175 HydrophobicContact CB-CG 4.06Å; D172-L175 PolarHBondContact O-N 3.1Å; D172-L175 VanDerWaalsContact O-N 3.13Å |
| 173 | P | 96.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.1 | -179.7 | 28.4 | -36.3 | 0 | 0 | 0 | 115 | E113 F117 K119 T134 L175 | E113-P173 HydrophobicContact CG-CG 4.45Å; F117-P173 HydrophobicContact CB-CB 4.11Å; F117-P173 HydrophobicContact CD1-CB 4.16Å; F117-P173 HydrophobicContact CD2-CB 3.43Å; F117-P173 VanDerWaalsContact CD2-CB 3.43Å; F117-P173 HydrophobicContact CD2-CG 4.04Å; F117-P173 HydrophobicContact CE1-CB 4.44Å; F117-P173 HydrophobicContact CE2-CB 3.75Å; F117-P173 HydrophobicContact CE2-CG 3.94Å; F117-P173 HydrophobicContact CG-CB 3.64Å; F117-P173 HydrophobicContact CZ-CB 4.26Å; K119-P173 WeakPolarHBondContact CE-O 3.49Å; K119-P173 PolarHBondContact NZ-O 3.24Å; T134-P173 HydrophobicContact CG2-CB 4.24Å; P173-L175 VanDerWaalsContact C-N 3.32Å |
| 174 | K | 94.9 | Very high | 96.3 | Very high | 148 Ų | 148 | 40.6 Ų | 40.6 | 64% | 0.643 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.7 | 174.7 | -61.8 | 171.4 | -167.8 | 148.4 | 0 | 112.4 | E113 D172 | E113-K174 WeakPolarHBondContact OE1-CE 3.19Å; E113-K174 IonicContact OE1-NZ 3.73Å; E113-K174 PolarHBondContact OE1-NZ 2.69Å; D172-K174 PolarHBondContact O-N 2.77Å; D172-K174 VanDerWaalsContact OD1-CB 3.32Å; D172-K174 WeakPolarHBondContact OD1-CB 3.21Å; D172-K174 WeakPolarHBondContact OD1-CG 3.31Å; D172-K174 PolarHBondContact OD1-N 2.69Å |
| 175 | L | 95.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -79.3 | 143.1 | 178 | -61.7 | 178 | 0 | 0 | 0 | 110.6 | K119 P170 D172 P173 A191 F199 | K119-L175 PolarHBondContact NZ-O 2.69Å; P170-L175 HydrophobicContact CB-CB 3.9Å; P170-L175 HydrophobicContact CB-CD1 4.49Å; P170-L175 HydrophobicContact CG-CB 4.32Å; D172-L175 HydrophobicContact CB-CD1 4.04Å; D172-L175 HydrophobicContact CB-CG 4.06Å; D172-L175 PolarHBondContact O-N 3.1Å; D172-L175 VanDerWaalsContact O-N 3.13Å; P173-L175 VanDerWaalsContact C-N 3.32Å; L175-A191 HydrophobicContact CD1-CB 3.66Å; L175-F199 HydrophobicContact CD1-CE1 4.34Å; L175-F199 HydrophobicContact CD2-CE1 4.26Å; L175-F199 HydrophobicContact CD2-CZ 4.25Å |
| 176 | L | 93.9 | Very high | 96.5 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 48% | 0.476 | 18% | 0.184 | S | C | . | . | trans | -88.4 | 162.7 | 176.3 | -60.8 | -179.9 | 0 | 0 | 0 | 110.5 | F226 | L176-F226 WeakPolarHBondContact CB-O 3.26Š| ||
| 177 | T | 97 | Very high | 96.5 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | trans | -142 | 117.6 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | V120 P170 G189 T190 | V120-T177 HydrophobicContact CG2-CG2 3.91Å; P170-T177 VanDerWaalsContact CD-OG1 3.25Å; P170-T177 WeakPolarHBondContact CD-OG1 3.48Å; T177-G189 WeakPolarHBondContact CA-O 3.37Å; T177-T190 WeakPolarHBondContact OG1-CB 3.23Å; T177-T190 PolarHBondContact OG1-OG1 3.13Å | ||
| 178 | A | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108 | S188 G189 F226 A229 F245 | A178-S188 CarbonylContact O-C 3.28Å; A178-S188 VanDerWaalsContact O-CA 3.22Å; A178-S188 WeakPolarHBondContact O-CA 3.41Å; A178-G189 PolarHBondContact N-O 3.09Å; A178-G189 PolarHBondContact O-N 3.2Å; A178-F226 HydrophobicContact CB-CB 3.75Å; A178-A229 HydrophobicContact CB-CB 4.33Å; A178-F245 HydrophobicContact CB-CD1 4.32Å; A178-F245 HydrophobicContact CB-CE1 4.41Å |
| 179 | S | 97.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.8 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | K122 Y187 | K122-S179 WeakPolarHBondContact CE-O 3.39Å; K122-S179 WeakPolarHBondContact CE-OG 3.09Å; K122-S179 PolarHBondContact NZ-O 2.9Å; S179-Y187 CarbonylContact C-O 3.58Å; S179-Y187 VanDerWaalsContact CA-O 3.29Å; S179-Y187 WeakPolarHBondContact CA-O 3.45Å |
| 180 | L | 97.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 130.1 | 177 | 173.7 | 70 | 0 | 0 | 0 | 108.1 | V182 Y187 A229 L231 I243 | L180-V182 HydrophobicContact CD1-CG2 3.98Å; L180-V182 HydrophobicContact CD2-CG2 3.97Å; L180-V182 HydrophobicContact CG-CG2 3.8Å; L180-Y187 PolarHBondContact N-O 3.02Å; L180-Y187 PolarHBondContact O-N 3.1Å; L180-A229 HydrophobicContact CB-CB 3.94Å; L180-L231 HydrophobicContact CD2-CB 4.13Å; L180-I243 HydrophobicContact CD2-CG1 4.31Å; L180-I243 HydrophobicContact CD2-CG2 3.91Å |
| 181 | L | 97.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.8 | 173.9 | -168.5 | 88.5 | 0 | 0 | 0 | 108.7 | K122 A123 Y124 E185 L186 L205 | K122-L181 HydrophobicContact CB-CB 3.87Å; K122-L181 HydrophobicContact CB-CD2 4.47Å; K122-L181 HydrophobicContact CG-CB 4.13Å; A123-L181 WeakPolarHBondContact O-CD2 3.29Å; Y124-L181 VanDerWaalsContact CA-CD2 3.49Å; Y124-L181 HydrophobicContact CD2-CD2 3.84Å; Y124-L181 HydrophobicContact CG-CD2 4.47Å; L181-E185 WeakPolarHBondContact CA-O 3.13Å; L181-L186 HydrophobicContact CB-CD1 4.35Å; L181-L186 HydrophobicContact CD1-CB 3.76Å; L181-L186 HydrophobicContact CD1-CD1 4.05Å; L181-L205 HydrophobicContact CD1-CD1 3.84Å |
| 182 | V | 95.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 28 Ų | 28 | 13% | 0.127 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 133 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | L180 G184 E185 L231 | L180-V182 HydrophobicContact CD1-CG2 3.98Å; L180-V182 HydrophobicContact CD2-CG2 3.97Å; L180-V182 HydrophobicContact CG-CG2 3.8Å; V182-G184 PolarHBondContact O-N 2.87Å; V182-G184 VanDerWaalsContact O-N 3.15Å; V182-E185 PolarHBondContact N-O 3.41Å; V182-E185 PolarHBondContact O-N 2.81Å; V182-L231 HydrophobicContact CG1-CD2 4.1Å; V182-L231 HydrophobicContact CG2-CB 4.36Å; V182-L231 HydrophobicContact CG2-CD2 4.22Å |
| 183 | D | 93 | Very high | 96.5 | Very high | 122 Ų | 122 | 28.2 Ų | 28.2 | 65% | 0.652 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.1 | 177 | -54.8 | -20.1 | 0 | 0 | 0 | 114.6 | E185 K270 | D183-E185 PolarHBondContact O-N 2.66Å; D183-K270 WeakPolarHBondContact OD2-CE 3.4Å; D183-K270 IonicContact OD2-NZ 3.4Å; D183-K270 PolarHBondContact OD2-NZ 3Å |
| 184 | G | 93.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V182 L205 G206 | V182-G184 PolarHBondContact O-N 2.87Å; V182-G184 VanDerWaalsContact O-N 3.15Å; G184-L205 VanDerWaalsContact O-CB 3.25Å; G184-L205 WeakPolarHBondContact O-CB 3.07Å; G184-G206 PolarHBondContact O-N 3.07Å |
| 185 | E | 96.2 | Very high | 96.4 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.7 | 175.2 | -62 | -171.4 | 126.1 | 0 | 0 | 110.9 | L181 V182 D183 Y187 R203 H208 | L181-E185 WeakPolarHBondContact CA-O 3.13Å; V182-E185 PolarHBondContact N-O 3.41Å; V182-E185 PolarHBondContact O-N 2.81Å; D183-E185 PolarHBondContact O-N 2.66Å; E185-Y187 HydrophobicContact CB-CE2 4.01Å; E185-Y187 PolarHBondContact OE2-OH 3.49Å; E185-R203 HydrophobicContact CB-CG 4.14Å; E185-R203 IonicContact OE1-CZ 3.84Å; E185-R203 IonicContact OE1-NE 3.82Å; E185-R203 PolarHBondContact OE1-NE 2.72Å; E185-R203 VanDerWaalsContact OE1-NE 3.14Å; E185-R203 VanDerWaalsContact OE2-CD 3.29Å; E185-R203 WeakPolarHBondContact OE2-CD 3.32Å; E185-R203 IonicContact OE2-CZ 2.71Å; E185-R203 IonicContact OE2-NE 3.27Å; E185-R203 PolarHBondContact OE2-NE 2.81Å; E185-H208 IonicContact OE1-CD2 3.34Å |
| 186 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.7 | 177.4 | -178.1 | 71.4 | 0 | 0 | 0 | 110.5 | V120 Y130 K168 L181 R203 T204 L205 | V120-L186 HydrophobicContact CG1-CD1 4.22Å; Y130-L186 HydrophobicContact CD1-CD2 4.37Å; Y130-L186 HydrophobicContact CE1-CD2 3.92Å; K168-L186 HydrophobicContact CB-CD2 3.81Å; K168-L186 HydrophobicContact CD-CD2 4.22Å; K168-L186 HydrophobicContact CG-CD2 3.94Å; L181-L186 HydrophobicContact CB-CD1 4.35Å; L181-L186 HydrophobicContact CD1-CB 3.76Å; L181-L186 HydrophobicContact CD1-CD1 4.05Å; L186-R203 WeakPolarHBondContact O-CA 3.42Å; L186-T204 PolarHBondContact N-O 3.11Å; L186-T204 PolarHBondContact O-N 2.85Å; L186-T204 PolarHBondContact O-OG1 3.24Å; L186-L205 HydrophobicContact CB-CD1 3.7Å; L186-L205 HydrophobicContact CB-CG 4Å |
| 187 | Y | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.9 | 168 | -64.4 | -96.4 | 0 | 0 | 0 | 108.7 | S179 L180 E185 F202 R203 I243 K270 W283 | S179-Y187 CarbonylContact C-O 3.58Å; S179-Y187 VanDerWaalsContact CA-O 3.29Å; S179-Y187 WeakPolarHBondContact CA-O 3.45Å; L180-Y187 PolarHBondContact N-O 3.02Å; L180-Y187 PolarHBondContact O-N 3.1Å; E185-Y187 HydrophobicContact CB-CE2 4.01Å; E185-Y187 PolarHBondContact OE2-OH 3.49Å; Y187-F202 CarbonylContact C-O 3.59Å; Y187-F202 VanDerWaalsContact CA-O 3.28Å; Y187-F202 WeakPolarHBondContact CA-O 3.38Å; Y187-R203 HydrophobicContact CD1-CB 4.07Å; Y187-R203 HydrophobicContact CD1-CG 4.26Å; Y187-R203 HydrophobicContact CE1-CB 3.96Å; Y187-R203 VanDerWaalsContact CE1-CD 3.43Å; Y187-R203 HydrophobicContact CE1-CG 3.89Å; Y187-R203 HydrophobicContact CE2-CG 4.28Å; Y187-R203 WeakPolarHBondContact OH-CD 3.05Å; Y187-R203 PolarHBondContact OH-NH1 3.44Å; Y187-I243 HydrophobicContact CD1-CD1 3.38Å; Y187-I243 HydrophobicContact CD1-CG2 4.48Å; Y187-I243 HydrophobicContact CD2-CD1 3.58Å; Y187-I243 HydrophobicContact CE1-CD1 3.13Å; Y187-I243 HydrophobicContact CE2-CD1 3.39Å; Y187-I243 HydrophobicContact CG-CD1 3.58Å; Y187-K270 PolarHBondContact OH-O 2.73Å; Y187-W283 HydrophobicContact CD1-CH2 4.24Å; Y187-W283 HydrophobicContact CD1-CZ2 4.42Å; Y187-W283 AromaticContact CE1-CH2 3.79Å; Y187-W283 HydrophobicContact CE1-CH2 3.79Å; Y187-W283 HydrophobicContact CE1-CZ2 4.41Å |
| 188 | S | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 137.8 | -176.8 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | G167 A178 I201 F202 | G167-S188 PolarHBondContact O-OG 3.46Å; A178-S188 CarbonylContact O-C 3.28Å; A178-S188 VanDerWaalsContact O-CA 3.22Å; A178-S188 WeakPolarHBondContact O-CA 3.41Å; S188-I201 CarbonylContact O-C 3.55Å; S188-I201 WeakPolarHBondContact O-CA 3.4Å; S188-F202 PolarHBondContact N-O 3.49Å; S188-F202 PolarHBondContact O-N 3.42Å |
| 189 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T177 A178 F226 | T177-G189 WeakPolarHBondContact CA-O 3.37Å; A178-G189 PolarHBondContact N-O 3.09Å; A178-G189 PolarHBondContact O-N 3.2Å; G189-F226 WeakPolarHBondContact O-CD2 3.26Å; G189-F226 WeakPolarHBondContact O-CG 3.4Å |
| 190 | T | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 175.5 | -176.4 | -162.4 | 0 | 0 | 0 | 0 | 112.4 | G167 P170 T177 F199 A200 F202 F226 | G167-T190 WeakPolarHBondContact O-CG2 3.33Å; P170-T190 WeakPolarHBondContact CB-OG1 3.14Å; T177-T190 WeakPolarHBondContact OG1-CB 3.23Å; T177-T190 PolarHBondContact OG1-OG1 3.13Å; T190-F199 WeakPolarHBondContact O-CA 3.07Å; T190-A200 PolarHBondContact N-O 3.44Å; T190-A200 VanDerWaalsContact N-O 3.13Å; T190-A200 PolarHBondContact O-N 2.74Å; T190-F202 HydrophobicContact CG2-CD2 4.48Å; T190-F226 VanDerWaalsContact N-CE2 3.34Å |
| 191 | A | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L175 D198 F199 | L175-A191 HydrophobicContact CD1-CB 3.66Å; A191-D198 WeakPolarHBondContact CA-O 3.11Å; A191-F199 HydrophobicContact CB-CD1 3.8Å; A191-F199 HydrophobicContact CB-CE1 3.73Å; A191-F199 HydrophobicContact CB-CG 4.49Å; A191-F199 HydrophobicContact CB-CZ 4.37Å |
| 192 | A | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | trans | -102.6 | 9.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R166 Y171 D198 F202 | R166-A192 HydrophobicContact CG-CB 4.31Å; R166-A192 WeakPolarHBondContact CG-O 3.43Å; R166-A192 PolarHBondContact NE-O 2.68Å; Y171-A192 WeakPolarHBondContact CE2-O 3.2Å; A192-D198 PolarHBondContact N-O 2.79Å; A192-F202 HydrophobicContact CB-CE1 4.39Å; A192-F202 HydrophobicContact CB-CE2 3.89Å; A192-F202 HydrophobicContact CB-CZ 3.44Å; A192-F202 VanDerWaalsContact CB-CZ 3.44Å | ||
| 193 | D | 95.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 18% | 0.176 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -129.9 | 161.7 | -179.8 | 73.7 | -35.4 | 0 | 0 | 0 | 113.1 | Y171 M195 G196 R197 D198 | Y171-D193 VanDerWaalsContact CD2-C 3.43Å; Y171-D193 VanDerWaalsContact CD2-O 3.27Å; Y171-D193 WeakPolarHBondContact CD2-O 3.47Å; D193-M195 VanDerWaalsContact C-N 3.26Å; D193-M195 PolarHBondContact O-N 3.25Å; D193-G196 PolarHBondContact O-N 2.6Å; D193-G196 WeakPolarHBondContact OD1-CA 3.38Å; D193-G196 PolarHBondContact OD1-N 3.34Å; D193-G196 VanDerWaalsContact OD1-N 3.15Å; D193-R197 PolarHBondContact OD1-N 3.4Å; D193-R197 PolarHBondContact OD2-N 2.95Å; D193-D198 HydrophobicContact CB-CB 3.81Å; D193-D198 VanDerWaalsContact CG-N 3.34Å; D193-D198 PolarHBondContact OD1-N 2.96Å |
| 194 | F | 95.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 25.8 Ų | 25.8 | 32% | 0.32 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -31.7 | 179.4 | -178.5 | -87.3 | 0 | 0 | 0 | 113 | A106 K108 F137 Y171 G196 | A106-F194 HydrophobicContact CB-CE2 4.16Å; A106-F194 HydrophobicContact CB-CZ 3.65Å; K108-F194 HydrophobicContact CG-CZ 4.22Å; F137-F194 HydrophobicContact CB-CD2 3.72Å; F137-F194 HydrophobicContact CB-CE2 3.43Å; F137-F194 VanDerWaalsContact CB-CE2 3.43Å; F137-F194 HydrophobicContact CB-CZ 4.47Å; F137-F194 AromaticContact CD1-CD2 3.81Å; F137-F194 HydrophobicContact CD1-CD2 3.81Å; F137-F194 AromaticContact CD1-CE2 3.57Å; F137-F194 HydrophobicContact CD1-CE2 3.57Å; F137-F194 HydrophobicContact CD1-CG 4.41Å; F137-F194 AromaticContact CD1-CZ 3.98Å; F137-F194 HydrophobicContact CD1-CZ 3.98Å; F137-F194 HydrophobicContact CG-CD2 4.18Å; F137-F194 AromaticContact CG-CE2 3.72Å; F137-F194 HydrophobicContact CG-CE2 3.72Å; F137-F194 HydrophobicContact CG-CZ 4.36Å; Y171-F194 HydrophobicContact CD1-CB 4.2Å; Y171-F194 HydrophobicContact CD1-CD2 4.26Å; F194-G196 VanDerWaalsContact C-N 3.35Å |
| 195 | M | 93.8 | Very high | 96.3 | Very high | 125 Ų | 125 | 26.2 Ų | 26.2 | 62% | 0.616 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.4 | -176.8 | -60.9 | -173.7 | 72.2 | 0 | 0 | 113.5 | D193 R197 | D193-M195 VanDerWaalsContact C-N 3.26Å; D193-M195 PolarHBondContact O-N 3.25Å; M195-R197 HydrophobicContact CB-CG 4.18Å |
| 196 | G | 92.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 67.5 | 42 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D193 F194 F199 | D193-G196 PolarHBondContact O-N 2.6Å; D193-G196 WeakPolarHBondContact OD1-CA 3.38Å; D193-G196 PolarHBondContact OD1-N 3.34Å; D193-G196 VanDerWaalsContact OD1-N 3.15Å; F194-G196 VanDerWaalsContact C-N 3.35Å; G196-F199 WeakPolarHBondContact O-CE2 3.48Å; G196-F199 VanDerWaalsContact O-CZ 3.24Å; G196-F199 WeakPolarHBondContact O-CZ 3.5Å |
| 197 | R | 92.3 | Very high | 95.4 | Very high | 187 Ų | 187 | 36.4 Ų | 36.4 | 71% | 0.706 | 18% | 0.18 | S | C | * | . | trans | -122.9 | -25.5 | -179.6 | -65.3 | -177.1 | 177.6 | -177.1 | -1.4 | 113 | D193 M195 F199 | D193-R197 PolarHBondContact OD1-N 3.4Å; D193-R197 PolarHBondContact OD2-N 2.95Å; M195-R197 HydrophobicContact CB-CG 4.18Å; R197-F199 VanDerWaalsContact C-N 3.33Å; R197-F199 PolarHBondContact O-N 3.29Å; R197-F199 VanDerWaalsContact O-N 3.15Å | ||
| 198 | D | 95.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | trans | -87.2 | 70.6 | 177.6 | -173.6 | 30.7 | 0 | 0 | 0 | 110.7 | A191 A192 D193 R212 Q215 | A191-D198 WeakPolarHBondContact CA-O 3.11Å; A192-D198 PolarHBondContact N-O 2.79Å; D193-D198 HydrophobicContact CB-CB 3.81Å; D193-D198 VanDerWaalsContact CG-N 3.34Å; D193-D198 PolarHBondContact OD1-N 2.96Å; D198-R212 IonicContact OD1-CZ 3.51Å; D198-R212 IonicContact OD1-NH1 2.95Å; D198-R212 PolarHBondContact OD1-NH1 3.32Å; D198-R212 IonicContact OD1-NH2 2.8Å; D198-R212 PolarHBondContact OD1-NH2 3.05Å; D198-R212 IonicContact OD2-CZ 3.8Å; D198-R212 IonicContact OD2-NH1 3.58Å; D198-R212 PolarHBondContact OD2-NH1 2.99Å; D198-R212 IonicContact OD2-NH2 3.78Å; D198-Q215 WeakPolarHBondContact OD1-CG 3.26Å; D198-Q215 PolarHBondContact OD1-NE2 3.29Å; D198-Q215 PolarHBondContact OD2-NE2 2.86Å; D198-Q215 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 199 | F | 97.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.3 | 174.8 | -62.2 | -83 | 0 | 0 | 0 | 111.3 | L175 T190 A191 G196 R197 D223 P224 R225 F226 | L175-F199 HydrophobicContact CD1-CE1 4.34Å; L175-F199 HydrophobicContact CD2-CE1 4.26Å; L175-F199 HydrophobicContact CD2-CZ 4.25Å; T190-F199 WeakPolarHBondContact O-CA 3.07Å; A191-F199 HydrophobicContact CB-CD1 3.8Å; A191-F199 HydrophobicContact CB-CE1 3.73Å; A191-F199 HydrophobicContact CB-CG 4.49Å; A191-F199 HydrophobicContact CB-CZ 4.37Å; G196-F199 WeakPolarHBondContact O-CE2 3.48Å; G196-F199 VanDerWaalsContact O-CZ 3.24Å; G196-F199 WeakPolarHBondContact O-CZ 3.5Å; R197-F199 VanDerWaalsContact C-N 3.33Å; R197-F199 PolarHBondContact O-N 3.29Å; R197-F199 VanDerWaalsContact O-N 3.15Å; F199-D223 VanDerWaalsContact CE2-OD1 3.3Å; F199-D223 WeakPolarHBondContact CE2-OD1 3.14Å; F199-P224 HydrophobicContact CB-CG 3.5Å; F199-P224 HydrophobicContact CD1-CG 4.19Å; F199-P224 HydrophobicContact CG-CG 3.84Å; F199-R225 VanDerWaalsContact CZ-NH1 3.28Å; F199-F226 HydrophobicContact CB-CE2 4.43Å; F199-F226 HydrophobicContact CD1-CE2 4.29Å |
| 200 | A | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 160.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T190 F202 R212 T213 | T190-A200 PolarHBondContact N-O 3.44Å; T190-A200 VanDerWaalsContact N-O 3.13Å; T190-A200 PolarHBondContact O-N 2.74Å; A200-F202 HydrophobicContact CB-CD2 4.07Å; A200-F202 HydrophobicContact CB-CE1 4.14Å; A200-F202 HydrophobicContact CB-CE2 3.4Å; A200-F202 HydrophobicContact CB-CZ 3.43Å; A200-F202 VanDerWaalsContact CB-CZ 3.43Å; A200-F202 WeakPolarHBondContact O-CD2 3.41Å; A200-R212 HydrophobicContact CB-CB 4.41Å; A200-T213 VanDerWaalsContact CA-OG1 3.25Å; A200-T213 WeakPolarHBondContact CA-OG1 3.36Å; A200-T213 WeakPolarHBondContact CB-OG1 3.37Å |
| 201 | I | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.4 | 163.7 | -62.5 | 165.3 | 0 | 0 | 0 | 107.3 | S188 R212 T213 L221 F226 F245 I268 W283 F286 | S188-I201 CarbonylContact O-C 3.55Å; S188-I201 WeakPolarHBondContact O-CA 3.4Å; I201-R212 CarbonylContact O-C 3.58Å; I201-R212 VanDerWaalsContact O-CA 3.26Å; I201-R212 WeakPolarHBondContact O-CA 3.25Å; I201-T213 HydrophobicContact CB-CG2 3.89Å; I201-T213 HydrophobicContact CD1-CG2 4.46Å; I201-T213 HydrophobicContact CG1-CG2 4.42Å; I201-T213 PolarHBondContact N-OG1 2.78Å; I201-T213 PolarHBondContact O-N 3.29Å; I201-T213 VanDerWaalsContact O-N 3.11Å; I201-L221 HydrophobicContact CG1-CD1 4.38Å; I201-F226 HydrophobicContact CD1-CE1 4.21Å; I201-F226 HydrophobicContact CG1-CE1 3.65Å; I201-F226 HydrophobicContact CG1-CZ 4.07Å; I201-F245 HydrophobicContact CD1-CB 4.11Å; I201-F245 HydrophobicContact CD1-CD1 4.32Å; I201-F245 HydrophobicContact CD1-CD2 4.18Å; I201-F245 HydrophobicContact CD1-CG 3.94Å; I201-F245 HydrophobicContact CG1-CD1 4.25Å; I201-F245 HydrophobicContact CG1-CE1 4.43Å; I201-F245 HydrophobicContact CG1-CG 4.35Å; I201-F245 HydrophobicContact CG2-CD1 4.35Å; I201-F245 HydrophobicContact CG2-CD2 3.92Å; I201-F245 HydrophobicContact CG2-CE1 3.89Å; I201-F245 HydrophobicContact CG2-CE2 3.41Å; I201-F245 VanDerWaalsContact CG2-CE2 3.41Å; I201-F245 HydrophobicContact CG2-CG 4.36Å; I201-F245 HydrophobicContact CG2-CZ 3.39Å; I201-I268 HydrophobicContact CB-CD1 4.47Å; I201-I268 HydrophobicContact CG2-CD1 3.67Å; I201-W283 PolarHBondContact O-NE1 2.84Å; I201-F286 HydrophobicContact CD1-CD2 4.31Å; I201-F286 HydrophobicContact CD1-CE2 3.6Å; I201-F286 HydrophobicContact CD1-CZ 4.25Å |
| 202 | F | 98.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.1 | -176.4 | -63.7 | -87.9 | 0 | 0 | 0 | 111.6 | G167 Y187 S188 T190 A192 A200 T204 I211 R212 | G167-F202 VanDerWaalsContact O-CD2 3.29Å; G167-F202 WeakPolarHBondContact O-CD2 3.21Å; Y187-F202 CarbonylContact C-O 3.59Å; Y187-F202 VanDerWaalsContact CA-O 3.28Å; Y187-F202 WeakPolarHBondContact CA-O 3.38Å; S188-F202 PolarHBondContact N-O 3.49Å; S188-F202 PolarHBondContact O-N 3.42Å; T190-F202 HydrophobicContact CG2-CD2 4.48Å; A192-F202 HydrophobicContact CB-CE1 4.39Å; A192-F202 HydrophobicContact CB-CE2 3.89Å; A192-F202 HydrophobicContact CB-CZ 3.44Å; A192-F202 VanDerWaalsContact CB-CZ 3.44Å; A200-F202 HydrophobicContact CB-CD2 4.07Å; A200-F202 HydrophobicContact CB-CE1 4.14Å; A200-F202 HydrophobicContact CB-CE2 3.4Å; A200-F202 HydrophobicContact CB-CZ 3.43Å; A200-F202 VanDerWaalsContact CB-CZ 3.43Å; A200-F202 WeakPolarHBondContact O-CD2 3.41Å; F202-T204 HydrophobicContact CB-CG2 4.08Å; F202-I211 CarbonylContact C-O 3.54Å; F202-I211 VanDerWaalsContact CA-O 3.25Å; F202-I211 WeakPolarHBondContact CA-O 3.39Å; F202-R212 HydrophobicContact CD1-CB 3.59Å; F202-R212 HydrophobicContact CE1-CB 3.62Å; F202-R212 HydrophobicContact CE1-CG 4.38Å; F202-R212 HydrophobicContact CG-CB 4.44Å; F202-R212 HydrophobicContact CZ-CB 4.47Å |
| 203 | R | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.5 | 151.5 | -178.9 | 173 | 87.8 | -147.3 | -9.8 | 108.4 | E185 L186 Y187 P210 I211 K270 D272 W283 | E185-R203 HydrophobicContact CB-CG 4.14Å; E185-R203 IonicContact OE1-CZ 3.84Å; E185-R203 IonicContact OE1-NE 3.82Å; E185-R203 PolarHBondContact OE1-NE 2.72Å; E185-R203 VanDerWaalsContact OE1-NE 3.14Å; E185-R203 VanDerWaalsContact OE2-CD 3.29Å; E185-R203 WeakPolarHBondContact OE2-CD 3.32Å; E185-R203 IonicContact OE2-CZ 2.71Å; E185-R203 IonicContact OE2-NE 3.27Å; E185-R203 PolarHBondContact OE2-NE 2.81Å; L186-R203 WeakPolarHBondContact O-CA 3.42Å; Y187-R203 HydrophobicContact CD1-CB 4.07Å; Y187-R203 HydrophobicContact CD1-CG 4.26Å; Y187-R203 HydrophobicContact CE1-CB 3.96Å; Y187-R203 VanDerWaalsContact CE1-CD 3.43Å; Y187-R203 HydrophobicContact CE1-CG 3.89Å; Y187-R203 HydrophobicContact CE2-CG 4.28Å; Y187-R203 WeakPolarHBondContact OH-CD 3.05Å; Y187-R203 PolarHBondContact OH-NH1 3.44Å; R203-P210 VanDerWaalsContact O-CA 3.26Å; R203-P210 WeakPolarHBondContact O-CA 3.19Å; R203-I211 PolarHBondContact N-O 2.98Å; R203-I211 VanDerWaalsContact NH2-CD1 3.27Å; R203-I211 PolarHBondContact O-N 3.4Å; R203-K270 PolarHBondContact NH1-O 2.8Å; R203-D272 VanDerWaalsContact CZ-O 3.23Å; R203-D272 PolarHBondContact NH1-O 3.46Å; R203-D272 PolarHBondContact NH2-O 3.44Å; R203-W283 HydrophobicContact CB-CH2 3.4Å; R203-W283 VanDerWaalsContact CB-CH2 3.4Å; R203-W283 HydrophobicContact CB-CZ2 3.53Å; R203-W283 HydrophobicContact CG-CH2 4.35Å |
| 204 | T | 96.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 178.8 | 179.8 | 63.7 | 0 | 0 | 0 | 0 | 109 | K168 L186 F202 P210 | K168-T204 HydrophobicContact CG-CG2 4.25Å; K168-T204 WeakPolarHBondContact CG-OG1 3.45Å; L186-T204 PolarHBondContact N-O 3.11Å; L186-T204 PolarHBondContact O-N 2.85Å; L186-T204 PolarHBondContact O-OG1 3.24Å; F202-T204 HydrophobicContact CB-CG2 4.08Å; T204-P210 HydrophobicContact CG2-CB 4.46Å |
| 205 | L | 91.1 | Very high | 94.5 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.8 | -179.5 | -168 | -52.4 | -179.1 | 0 | 0 | 0 | 111.4 | Y130 E163 L181 G184 L186 | Y130-L205 HydrophobicContact CD1-CD1 4.09Å; Y130-L205 HydrophobicContact CD2-CD1 4.39Å; Y130-L205 HydrophobicContact CE1-CD1 3.78Å; Y130-L205 HydrophobicContact CE2-CD1 4.09Å; Y130-L205 HydrophobicContact CE2-CD2 4.28Å; Y130-L205 HydrophobicContact CG-CD1 4.37Å; E163-L205 WeakPolarHBondContact OE2-CD2 3.38Å; L181-L205 HydrophobicContact CD1-CD1 3.84Å; G184-L205 VanDerWaalsContact O-CB 3.25Å; G184-L205 WeakPolarHBondContact O-CB 3.07Å; L186-L205 HydrophobicContact CB-CD1 3.7Å; L186-L205 HydrophobicContact CB-CG 4Å |
| 206 | G | 87.9 | Confident | 94.2 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 76.1 | -172 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G184 | G184-G206 PolarHBondContact O-N 3.07Š|
| 207 | H | 87.3 | Confident | 94.2 | Very high | 193 Ų | 193 | 55.4 Ų | 55.4 | 89% | 0.894 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -89 | -10.3 | -175.5 | -60.7 | -61.1 | 0 | 0 | 0 | 113.8 | ||
| 208 | H | 87.8 | Confident | 94.2 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 44% | 0.44 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -94.4 | 158.6 | -175.9 | -60.4 | -67.3 | 0 | 0 | 0 | 111.8 | E185 F273 | E185-H208 IonicContact OE1-CD2 3.34Å; H208-F273 AromaticContact CD2-CE1 3.57Å; H208-F273 AromaticContact CE1-CE1 3.6Å; H208-F273 AromaticContact CG-CE1 3.79Å; H208-F273 AromaticContact ND1-CE1 3.82Å; H208-F273 AromaticContact NE2-CE1 3.44Å; H208-F273 WeakPolarHBondContact NE2-CE1 3.35Å |
| 209 | H | 91.1 | Very high | 94.1 | Very high | 140 Ų | 140 | 53.3 Ų | 53.3 | 65% | 0.648 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 142.8 | 173.1 | -75.6 | 81.4 | 0 | 0 | 0 | 110 | I211 | H209-I211 PolarHBondContact O-N 2.94Š|
| 210 | P | 95.3 | Very high | 94 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 134.8 | 177.4 | -26.6 | 34.8 | 0 | 0 | 0 | 112.2 | R203 T204 | R203-P210 VanDerWaalsContact O-CA 3.26Å; R203-P210 WeakPolarHBondContact O-CA 3.19Å; T204-P210 HydrophobicContact CG2-CB 4.46Å |
| 211 | I | 97.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.5 | 177.9 | -59.3 | -172.5 | 0 | 0 | 0 | 109.3 | F202 R203 H209 D272 N281 W283 | F202-I211 CarbonylContact C-O 3.54Å; F202-I211 VanDerWaalsContact CA-O 3.25Å; F202-I211 WeakPolarHBondContact CA-O 3.39Å; R203-I211 PolarHBondContact N-O 2.98Å; R203-I211 VanDerWaalsContact NH2-CD1 3.27Å; R203-I211 PolarHBondContact O-N 3.4Å; H209-I211 PolarHBondContact O-N 2.94Å; I211-D272 WeakPolarHBondContact CD1-O 3.32Å; I211-N281 WeakPolarHBondContact CA-O 3.31Å; I211-W283 HydrophobicContact CB-CD2 4.48Å; I211-W283 HydrophobicContact CB-CE3 4.47Å; I211-W283 HydrophobicContact CB-CH2 4.18Å; I211-W283 HydrophobicContact CB-CZ2 4.17Å; I211-W283 HydrophobicContact CB-CZ3 4.31Å; I211-W283 HydrophobicContact CD1-CZ3 4.32Å; I211-W283 HydrophobicContact CG2-CD2 3.45Å; I211-W283 VanDerWaalsContact CG2-CD2 3.45Å; I211-W283 HydrophobicContact CG2-CE3 3.57Å; I211-W283 HydrophobicContact CG2-CG 3.96Å; I211-W283 HydrophobicContact CG2-CH2 4.1Å; I211-W283 HydrophobicContact CG2-CZ2 4Å; I211-W283 HydrophobicContact CG2-CZ3 3.89Å |
| 212 | R | 97.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 15% | 0.151 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.7 | 175.9 | 63.1 | 171 | -69 | 158.9 | 1 | 114.1 | D198 A200 I201 F202 N281 K282 W283 | D198-R212 IonicContact OD1-CZ 3.51Å; D198-R212 IonicContact OD1-NH1 2.95Å; D198-R212 PolarHBondContact OD1-NH1 3.32Å; D198-R212 IonicContact OD1-NH2 2.8Å; D198-R212 PolarHBondContact OD1-NH2 3.05Å; D198-R212 IonicContact OD2-CZ 3.8Å; D198-R212 IonicContact OD2-NH1 3.58Å; D198-R212 PolarHBondContact OD2-NH1 2.99Å; D198-R212 IonicContact OD2-NH2 3.78Å; A200-R212 HydrophobicContact CB-CB 4.41Å; I201-R212 CarbonylContact O-C 3.58Å; I201-R212 VanDerWaalsContact O-CA 3.26Å; I201-R212 WeakPolarHBondContact O-CA 3.25Å; F202-R212 HydrophobicContact CD1-CB 3.59Å; F202-R212 HydrophobicContact CE1-CB 3.62Å; F202-R212 HydrophobicContact CE1-CG 4.38Å; F202-R212 HydrophobicContact CG-CB 4.44Å; F202-R212 HydrophobicContact CZ-CB 4.47Å; R212-N281 PolarHBondContact N-O 3.2Å; R212-N281 VanDerWaalsContact N-O 3.15Å; R212-K282 WeakPolarHBondContact O-CA 3.45Å; R212-K282 WeakPolarHBondContact O-CB 3.33Å; R212-W283 VanDerWaalsContact C-CD1 3.4Å; R212-W283 PolarHBondContact O-N 3.44Å; R212-W283 VanDerWaalsContact O-N 3.16Å |
| 213 | T | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 156.4 | 165.1 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | A200 I201 Q215 W220 L221 | A200-T213 VanDerWaalsContact CA-OG1 3.25Å; A200-T213 WeakPolarHBondContact CA-OG1 3.36Å; A200-T213 WeakPolarHBondContact CB-OG1 3.37Å; I201-T213 HydrophobicContact CB-CG2 3.89Å; I201-T213 HydrophobicContact CD1-CG2 4.46Å; I201-T213 HydrophobicContact CG1-CG2 4.42Å; I201-T213 PolarHBondContact N-OG1 2.78Å; I201-T213 PolarHBondContact O-N 3.29Å; I201-T213 VanDerWaalsContact O-N 3.11Å; T213-Q215 PolarHBondContact O-N 3.15Å; T213-W220 HydrophobicContact CG2-CE3 3.8Å; T213-W220 HydrophobicContact CG2-CZ3 4.11Å; T213-L221 HydrophobicContact CG2-CD1 4.11Å; T213-L221 WeakPolarHBondContact OG1-CD1 3.46Å |
| 214 | E | 95.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 130.7 | 175.7 | -167.2 | 73.2 | -158.4 | 0 | 0 | 110.6 | D217 W220 L279 K282 R404 | E214-D217 HydrophobicContact CB-CB 4.38Å; E214-D217 HydrophobicContact CG-CB 4.03Å; E214-W220 HydrophobicContact CB-CD2 3.7Å; E214-W220 HydrophobicContact CB-CE3 4.26Å; E214-W220 HydrophobicContact CB-CG 3.93Å; E214-W220 HydrophobicContact CB-CZ2 4.01Å; E214-L279 WeakPolarHBondContact OE2-CD2 3.37Å; E214-K282 IonicContact OE1-NZ 3.66Å; E214-K282 PolarHBondContact OE1-NZ 3.36Å; E214-K282 WeakPolarHBondContact OE2-CD 3.48Å; E214-K282 WeakPolarHBondContact OE2-CE 3.21Å; E214-K282 IonicContact OE2-NZ 2.81Å; E214-K282 PolarHBondContact OE2-NZ 2.95Å; E214-R404 IonicContact OE1-CZ 2.66Å; E214-R404 IonicContact OE1-NE 3.15Å; E214-R404 IonicContact OE1-NH2 2.72Å; E214-R404 PolarHBondContact OE1-NH2 2.72Å; E214-R404 IonicContact OE2-NE 2.98Å |
| 215 | Q | 93.7 | Very high | 93.5 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 142 | -176.7 | -165.7 | 178.8 | 22.9 | 0 | 0 | 110.5 | D198 T213 D217 | D198-Q215 WeakPolarHBondContact OD1-CG 3.26Å; D198-Q215 PolarHBondContact OD1-NE2 3.29Å; D198-Q215 PolarHBondContact OD2-NE2 2.86Å; D198-Q215 VanDerWaalsContact OD2-NE2 3.08Å; T213-Q215 PolarHBondContact O-N 3.15Å; Q215-D217 PolarHBondContact O-N 3.25Å; Q215-D217 VanDerWaalsContact O-N 3.17Å |
| 216 | H | 88.4 | Confident | 93.8 | Very high | 167 Ų | 167 | 59.2 Ų | 59.2 | 77% | 0.773 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 18.6 | 176.8 | -50.1 | -52.6 | 0 | 0 | 0 | 115.3 | ||
| 217 | D | 92.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | trans | -108.8 | 104.4 | 172.1 | -166.6 | -30.6 | 0 | 0 | 0 | 109.9 | E214 Q215 R219 W220 | E214-D217 HydrophobicContact CB-CB 4.38Å; E214-D217 HydrophobicContact CG-CB 4.03Å; Q215-D217 PolarHBondContact O-N 3.25Å; Q215-D217 VanDerWaalsContact O-N 3.17Å; D217-R219 PolarHBondContact O-N 3.31Å; D217-R219 VanDerWaalsContact O-N 3.16Å; D217-R219 WeakPolarHBondContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CG 3.48Å; D217-R219 IonicContact OD1-CZ 3.82Å; D217-R219 PolarHBondContact OD1-N 2.72Å; D217-R219 IonicContact OD1-NE 3.73Å; D217-R219 PolarHBondContact OD1-NE 3.38Å; D217-R219 IonicContact OD1-NH2 2.8Å; D217-R219 IonicContact OD2-CZ 3.84Å; D217-R219 IonicContact OD2-NE 3.58Å; D217-R219 PolarHBondContact OD2-NE 2.81Å; D217-R219 IonicContact OD2-NH2 3.49Å; D217-R219 PolarHBondContact OD2-NH2 3.42Å; D217-W220 WeakPolarHBondContact O-CB 3.43Å; D217-W220 PolarHBondContact O-N 2.92Å | ||
| 218 | S | 92.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.5 | -177.7 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | W220 L221 I252 | S218-W220 PolarHBondContact O-N 2.04Å; S218-L221 CarbonylContact O-C 3.59Å; S218-I252 WeakPolarHBondContact O-CD1 3.45Å |
| 219 | R | 92.7 | Very high | 95.3 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.9 | 174.6 | -62.1 | 174.6 | -70.5 | -172.1 | -2.6 | 111.3 | D217 K288 P407 | D217-R219 PolarHBondContact O-N 3.31Å; D217-R219 VanDerWaalsContact O-N 3.16Å; D217-R219 WeakPolarHBondContact OD1-CB 3.32Å; D217-R219 WeakPolarHBondContact OD1-CG 3.48Å; D217-R219 IonicContact OD1-CZ 3.82Å; D217-R219 PolarHBondContact OD1-N 2.72Å; D217-R219 IonicContact OD1-NE 3.73Å; D217-R219 PolarHBondContact OD1-NE 3.38Å; D217-R219 IonicContact OD1-NH2 2.8Å; D217-R219 IonicContact OD2-CZ 3.84Å; D217-R219 IonicContact OD2-NE 3.58Å; D217-R219 PolarHBondContact OD2-NE 2.81Å; D217-R219 IonicContact OD2-NH2 3.49Å; D217-R219 PolarHBondContact OD2-NH2 3.42Å; R219-K288 WeakPolarHBondContact O-CE 3.46Å; R219-K288 PolarHBondContact O-NZ 2.94Å; R219-P407 HydrophobicContact CB-CG 4.06Å; R219-P407 WeakPolarHBondContact O-CG 3.21Å |
| 220 | W | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -58.8 | 178.1 | -75.6 | 65.1 | 0 | 0 | 0 | 111.2 | T213 E214 D217 S218 L279 W283 F286 K288 R404 P407 | T213-W220 HydrophobicContact CG2-CE3 3.8Å; T213-W220 HydrophobicContact CG2-CZ3 4.11Å; E214-W220 HydrophobicContact CB-CD2 3.7Å; E214-W220 HydrophobicContact CB-CE3 4.26Å; E214-W220 HydrophobicContact CB-CG 3.93Å; E214-W220 HydrophobicContact CB-CZ2 4.01Å; D217-W220 WeakPolarHBondContact O-CB 3.43Å; D217-W220 PolarHBondContact O-N 2.92Å; S218-W220 PolarHBondContact O-N 2.04Å; W220-L279 HydrophobicContact CZ2-CD1 4.47Å; W220-L279 HydrophobicContact CZ2-CD2 4.37Å; W220-W283 HydrophobicContact CH2-CB 4.5Å; W220-W283 VanDerWaalsContact CH2-O 3.29Å; W220-W283 WeakPolarHBondContact CH2-O 3.37Å; W220-W283 HydrophobicContact CZ3-CB 4.16Å; W220-F286 HydrophobicContact CD2-CD1 4.22Å; W220-F286 HydrophobicContact CE3-CB 4.38Å; W220-F286 AromaticContact CE3-CD1 3.44Å; W220-F286 HydrophobicContact CE3-CD1 3.44Å; W220-F286 VanDerWaalsContact CE3-CD1 3.44Å; W220-F286 HydrophobicContact CE3-CE1 4.04Å; W220-F286 HydrophobicContact CE3-CG 4.16Å; W220-F286 HydrophobicContact CH2-CB 4.4Å; W220-F286 HydrophobicContact CZ3-CB 3.75Å; W220-F286 AromaticContact CZ3-CD1 3.71Å; W220-F286 HydrophobicContact CZ3-CD1 3.71Å; W220-F286 HydrophobicContact CZ3-CG 4.02Å; W220-K288 WeakPolarHBondContact O-CE 3.15Å; W220-K288 PolarHBondContact O-NZ 2.86Å; W220-R404 PolarHBondContact NE1-O 3.32Å; W220-P407 HydrophobicContact CG-CG 4.31Å |
| 221 | L | 96.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | trans | -145.7 | 129.4 | -179.5 | -66.5 | 172.6 | 0 | 0 | 0 | 109.7 | I201 T213 S218 P224 F226 F247 F286 | I201-L221 HydrophobicContact CG1-CD1 4.38Å; T213-L221 HydrophobicContact CG2-CD1 4.11Å; T213-L221 WeakPolarHBondContact OG1-CD1 3.46Å; S218-L221 CarbonylContact O-C 3.59Å; L221-P224 HydrophobicContact CB-CG 4.13Å; L221-P224 HydrophobicContact CD1-CG 4.46Å; L221-P224 HydrophobicContact CD2-CB 4.41Å; L221-P224 HydrophobicContact CD2-CG 4.36Å; L221-F226 HydrophobicContact CD1-CZ 4.17Å; L221-F247 HydrophobicContact CD2-CD2 4.41Å; L221-F247 HydrophobicContact CD2-CE2 3.66Å; L221-F247 HydrophobicContact CD2-CZ 3.75Å; L221-F286 HydrophobicContact CD2-CZ 4.28Å | ||
| 222 | N | 94.6 | Very high | 95.7 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -121.5 | 90.6 | -179.4 | -172.6 | 27.5 | 0 | 0 | 0 | 112 | E249 N250 I252 | N222-E249 PolarHBondContact N-OE2 2.89Å; N222-E249 WeakPolarHBondContact O-CB 3.11Å; N222-N250 WeakPolarHBondContact ND2-CB 3.2Å; N222-N250 PolarHBondContact ND2-O 2.85Å; N222-N250 PolarHBondContact O-N 3.33Å; N222-I252 HydrophobicContact CB-CD1 4.36Å; N222-I252 HydrophobicContact CB-CG1 4.08Å |
| 223 | D | 94.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 50.9 | 55 | -176 | -169.9 | 32.3 | 0 | 0 | 0 | 113.2 | F199 R225 N250 | F199-D223 VanDerWaalsContact CE2-OD1 3.3Å; F199-D223 WeakPolarHBondContact CE2-OD1 3.14Å; D223-R225 VanDerWaalsContact CG-NH2 3.25Å; D223-R225 PolarHBondContact O-NH1 3.26Å; D223-R225 IonicContact OD1-CZ 3.83Å; D223-R225 VanDerWaalsContact OD1-CZ 3.25Å; D223-R225 IonicContact OD1-NH1 2.63Å; D223-R225 PolarHBondContact OD1-NH1 3.23Å; D223-R225 IonicContact OD1-NH2 3.85Å; D223-R225 PolarHBondContact OD1-NH2 2.8Å; D223-R225 IonicContact OD2-CZ 3.47Å; D223-R225 IonicContact OD2-NH1 3Å; D223-R225 IonicContact OD2-NH2 3.7Å; D223-R225 PolarHBondContact OD2-NH2 2.9Å; D223-N250 WeakPolarHBondContact CB-ND2 3.42Å; D223-N250 PolarHBondContact OD2-ND2 2.82Å |
| 224 | P | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -68.9 | 154.9 | -174.7 | 32.1 | -38.9 | 0 | 0 | 0 | 112.8 | F199 L221 F226 F247 R248 E249 | F199-P224 HydrophobicContact CB-CG 3.5Å; F199-P224 HydrophobicContact CD1-CG 4.19Å; F199-P224 HydrophobicContact CG-CG 3.84Å; L221-P224 HydrophobicContact CB-CG 4.13Å; L221-P224 HydrophobicContact CD1-CG 4.46Å; L221-P224 HydrophobicContact CD2-CB 4.41Å; L221-P224 HydrophobicContact CD2-CG 4.36Å; P224-F226 HydrophobicContact CB-CE1 4.31Å; P224-F226 HydrophobicContact CB-CE2 4.26Å; P224-F226 HydrophobicContact CB-CZ 4.06Å; P224-F226 HydrophobicContact CG-CE1 4.38Å; P224-F226 HydrophobicContact CG-CE2 3.77Å; P224-F226 HydrophobicContact CG-CZ 3.67Å; P224-F247 HydrophobicContact CB-CD2 3.9Å; P224-F247 HydrophobicContact CB-CE2 4.47Å; P224-R248 CarbonylContact C-O 3.39Å; P224-R248 VanDerWaalsContact CA-O 3.24Å; P224-R248 WeakPolarHBondContact CA-O 3.48Å; P224-E249 HydrophobicContact CB-CB 4.31Å | ||
| 225 | R | 96.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 30% | 0.302 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 105.2 | 165.4 | -55 | -64.8 | 174.8 | -102.4 | -6.5 | 107.2 | F199 D223 F247 R248 | F199-R225 VanDerWaalsContact CZ-NH1 3.28Å; D223-R225 VanDerWaalsContact CG-NH2 3.25Å; D223-R225 PolarHBondContact O-NH1 3.26Å; D223-R225 IonicContact OD1-CZ 3.83Å; D223-R225 VanDerWaalsContact OD1-CZ 3.25Å; D223-R225 IonicContact OD1-NH1 2.63Å; D223-R225 PolarHBondContact OD1-NH1 3.23Å; D223-R225 IonicContact OD1-NH2 3.85Å; D223-R225 PolarHBondContact OD1-NH2 2.8Å; D223-R225 IonicContact OD2-CZ 3.47Å; D223-R225 IonicContact OD2-NH1 3Å; D223-R225 IonicContact OD2-NH2 3.7Å; D223-R225 PolarHBondContact OD2-NH2 2.9Å; R225-F247 VanDerWaalsContact O-CA 3.29Å; R225-F247 WeakPolarHBondContact O-CA 3.17Å; R225-F247 WeakPolarHBondContact O-CB 3.42Å; R225-R248 HydrophobicContact CB-CG 3.8Å; R225-R248 HydrophobicContact CG-CG 4.36Å; R225-R248 PolarHBondContact N-O 3.43Å; R225-R248 PolarHBondContact O-N 2.86Å |
| 226 | F | 98.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 138.2 | -176.8 | -61.3 | -76.7 | 0 | 0 | 0 | 111.4 | L176 A178 G189 T190 F199 I201 L221 P224 F247 | L176-F226 WeakPolarHBondContact CB-O 3.26Å; A178-F226 HydrophobicContact CB-CB 3.75Å; G189-F226 WeakPolarHBondContact O-CD2 3.26Å; G189-F226 WeakPolarHBondContact O-CG 3.4Å; T190-F226 VanDerWaalsContact N-CE2 3.34Å; F199-F226 HydrophobicContact CB-CE2 4.43Å; F199-F226 HydrophobicContact CD1-CE2 4.29Å; I201-F226 HydrophobicContact CD1-CE1 4.21Å; I201-F226 HydrophobicContact CG1-CE1 3.65Å; I201-F226 HydrophobicContact CG1-CZ 4.07Å; L221-F226 HydrophobicContact CD1-CZ 4.17Å; P224-F226 HydrophobicContact CB-CE1 4.31Å; P224-F226 HydrophobicContact CB-CE2 4.26Å; P224-F226 HydrophobicContact CB-CZ 4.06Å; P224-F226 HydrophobicContact CG-CE1 4.38Å; P224-F226 HydrophobicContact CG-CE2 3.77Å; P224-F226 HydrophobicContact CG-CZ 3.67Å; F226-F247 HydrophobicContact CD1-CB 3.85Å; F226-F247 HydrophobicContact CD1-CG 4.28Å; F226-F247 HydrophobicContact CE1-CB 4.46Å; F226-F247 HydrophobicContact CE1-CG 4.45Å; F226-F247 HydrophobicContact CG-CB 4.49Å |
| 227 | V | 98.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -60.3 | -178.1 | 177.1 | 0 | 0 | 0 | 0 | 110 | F246 L308 V311 | V227-F246 WeakPolarHBondContact CB-O 3.44Å; V227-F246 PolarHBondContact N-O 3.45Å; V227-L308 HydrophobicContact CB-CD2 4.44Å; V227-L308 HydrophobicContact CG2-CD2 4.1Å; V227-L308 HydrophobicContact CG2-CG 4.15Å; V227-V311 HydrophobicContact CG1-CG2 4.32Å |
| 228 | S | 97.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 167.9 | -177.6 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | H230 F246 | S228-H230 WeakPolarHBondContact CB-NE2 3.32Å; S228-H230 PolarHBondContact OG-CD2 3.28Å; S228-H230 PolarHBondContact OG-NE2 3.14Å; S228-F246 PolarHBondContact N-O 2.85Å; S228-F246 PolarHBondContact O-N 2.78Å |
| 229 | A | 98.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A178 L180 Y244 F245 | A178-A229 HydrophobicContact CB-CB 4.33Å; L180-A229 HydrophobicContact CB-CB 3.94Å; A229-Y244 CarbonylContact C-O 3.56Å; A229-Y244 VanDerWaalsContact CA-O 3.28Å; A229-Y244 WeakPolarHBondContact CA-O 3.47Å; A229-F245 HydrophobicContact CB-CD1 3.79Å; A229-F245 HydrophobicContact CB-CE1 3.58Å; A229-F245 HydrophobicContact CB-CE2 4.44Å; A229-F245 HydrophobicContact CB-CG 4.32Å; A229-F245 HydrophobicContact CB-CZ 3.93Å |
| 230 | H | 98.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 22% | 0.222 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.5 | -174.4 | -60.2 | -86 | 0 | 0 | 0 | 112 | S228 I243 Y244 F246 L313 | S228-H230 WeakPolarHBondContact CB-NE2 3.32Å; S228-H230 PolarHBondContact OG-CD2 3.28Å; S228-H230 PolarHBondContact OG-NE2 3.14Å; H230-I243 WeakPolarHBondContact O-CA 3.31Å; H230-Y244 PolarHBondContact N-O 2.82Å; H230-Y244 PolarHBondContact O-N 3.04Å; H230-F246 AromaticContact CD2-CD2 3.95Å; H230-F246 AromaticContact CD2-CE2 3.87Å; H230-L313 HydrophobicContact CB-CD1 3.48Å; H230-L313 VanDerWaalsContact CB-CD1 3.48Å |
| 231 | L | 97.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.7 | 167.1 | 178.8 | 69.7 | 0 | 0 | 0 | 108.3 | L180 V182 D241 I243 K270 | L180-L231 HydrophobicContact CD2-CB 4.13Å; V182-L231 HydrophobicContact CG1-CD2 4.1Å; V182-L231 HydrophobicContact CG2-CB 4.36Å; V182-L231 HydrophobicContact CG2-CD2 4.22Å; L231-D241 HydrophobicContact CD1-CB 4.02Å; L231-I243 HydrophobicContact CD1-CG1 4.04Å; L231-K270 HydrophobicContact CD1-CD 4.26Å |
| 232 | I | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.5 | 173.5 | -54.6 | 175.8 | 0 | 0 | 0 | 107.6 | K242 Y244 L313 P322 M345 | I232-K242 PolarHBondContact N-O 2.92Å; I232-K242 PolarHBondContact O-N 3.17Å; I232-Y244 HydrophobicContact CB-CD2 3.78Å; I232-Y244 HydrophobicContact CB-CE2 3.77Å; I232-Y244 HydrophobicContact CD1-CD2 3.77Å; I232-Y244 HydrophobicContact CD1-CE2 4.25Å; I232-Y244 HydrophobicContact CD1-CG 4.24Å; I232-Y244 HydrophobicContact CG1-CD2 3.9Å; I232-Y244 HydrophobicContact CG1-CE2 4.36Å; I232-Y244 HydrophobicContact CG2-CE2 4.49Å; I232-L313 HydrophobicContact CD1-CD1 3.99Å; I232-L313 HydrophobicContact CG1-CD1 4.19Å; I232-P322 HydrophobicContact CD1-CG 4.05Å; I232-P322 HydrophobicContact CG1-CG 4.4Å; I232-P322 HydrophobicContact CG2-CG 4.14Å; I232-M345 HydrophobicContact CD1-CE 3.76Å; I232-M345 HydrophobicContact CD1-CG 4.38Å; I232-M345 HydrophobicContact CD1-SD 3.76Å; I232-M345 HydrophobicContact CG2-CE 4.32Å |
| 233 | P | 93.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | trans | -62.1 | 139.5 | 175.2 | -22.6 | 34 | 0 | 0 | 0 | 111.7 | D241 K320 R349 | P233-D241 WeakPolarHBondContact CA-OD1 3.28Å; P233-D241 WeakPolarHBondContact CB-OD1 3.46Å; P233-K320 HydrophobicContact CB-CG 4.32Å; P233-K320 WeakPolarHBondContact O-CA 3.22Å; P233-R349 PolarHBondContact O-NH2 3Å | ||
| 234 | E | 89.8 | Confident | 94.8 | Very high | 40 Ų | 40 | 35.1 Ų | 35.1 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -94.4 | -30.7 | 175.8 | -66.8 | -74.4 | 94.9 | 0 | 0 | 112.1 | D240 K242 Y244 R349 | E234-D240 HydrophobicContact CB-CB 4.04Å; E234-D240 WeakPolarHBondContact CB-O 3.15Å; E234-D240 WeakPolarHBondContact CG-O 3.19Å; E234-K242 HydrophobicContact CG-CB 4.21Å; E234-K242 HydrophobicContact CG-CD 3.72Å; E234-K242 HydrophobicContact CG-CG 3.83Å; E234-K242 IonicContact OE2-NZ 2.87Å; E234-K242 PolarHBondContact OE2-NZ 3.26Å; E234-Y244 PolarHBondContact OE1-OH 3.28Å; E234-Y244 PolarHBondContact OE2-OH 3.44Å; E234-R349 IonicContact OE1-CZ 3.62Å; E234-R349 VanDerWaalsContact OE1-CZ 3.29Å; E234-R349 IonicContact OE1-NE 2.83Å; E234-R349 PolarHBondContact OE1-NE 3.35Å; E234-R349 IonicContact OE1-NH2 3Å; E234-R349 PolarHBondContact OE1-NH2 3.34Å; E234-R349 IonicContact OE2-NE 3.6Å |
| 235 | S | 89.4 | Confident | 94.9 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -146.1 | -172.2 | -179.1 | 82.6 | 0 | 0 | 0 | 0 | 110.2 | N237 D240 | S235-N237 WeakPolarHBondContact OG-CB 3.32Å; S235-N237 PolarHBondContact OG-N 2.91Å; S235-N237 PolarHBondContact OG-O 2.8Å; S235-D240 WeakPolarHBondContact CB-OD2 3.21Å; S235-D240 PolarHBondContact OG-OD2 3.41Å |
| 236 | D | 89 | Confident | 95 | Very high | 143 Ų | 143 | 31.3 Ų | 31.3 | 77% | 0.765 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -78.3 | -7.5 | 170 | -61 | -54.9 | 0 | 0 | 0 | 112.3 | P238 K320 | D236-P238 WeakPolarHBondContact O-CD 3.33Å; D236-K320 VanDerWaalsContact OD1-CE 3.27Å; D236-K320 WeakPolarHBondContact OD1-CE 3.17Å; D236-K320 IonicContact OD1-NZ 3.95Å; D236-K320 PolarHBondContact OD1-NZ 2.95Å; D236-K320 IonicContact OD2-NZ 3.01Å; D236-K320 PolarHBondContact OD2-NZ 3.06Å |
| 237 | N | 89.9 | Confident | 95 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -91.2 | 116 | 174.6 | -175.1 | 8.9 | 0 | 0 | 0 | 110.2 | S235 E239 D240 S383 | S235-N237 WeakPolarHBondContact OG-CB 3.32Å; S235-N237 PolarHBondContact OG-N 2.91Å; S235-N237 PolarHBondContact OG-O 2.8Å; N237-E239 PolarHBondContact ND2-OE2 2.97Å; N237-E239 PolarHBondContact O-N 2.05Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 PolarHBondContact OD1-N 2.97Å; N237-D240 PolarHBondContact O-N 2.89Å; N237-S383 PolarHBondContact ND2-OG 2.8Å |
| 238 | P | 90.8 | Very high | 95 | Very high | 84 Ų | 84 | 32 Ų | 32 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -62 | -17.5 | 179.1 | -22.8 | 33.9 | 0 | 0 | 0 | 114.8 | D236 D240 D241 | D236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-D240 PolarHBondContact O-N 3.01Å; P238-D241 VanDerWaalsContact O-CB 3.29Å; P238-D241 WeakPolarHBondContact O-CB 3.34Å; P238-D241 PolarHBondContact O-N 3.16Å |
| 239 | E | 90.9 | Very high | 94.9 | Very high | 54 Ų | 54 | 31.3 Ų | 31.3 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -65.5 | -23.2 | 173.6 | -63.6 | 177.8 | 161.4 | 0 | 0 | 112.5 | N237 D241 N271 C381 S383 K384 | N237-E239 PolarHBondContact ND2-OE2 2.97Å; N237-E239 PolarHBondContact O-N 2.05Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 PolarHBondContact OD1-N 2.97Å; E239-D241 VanDerWaalsContact C-N 3.33Å; E239-N271 PolarHBondContact O-ND2 3.46Å; E239-C381 WeakPolarHBondContact O-CB 3.42Å; E239-S383 VanDerWaalsContact OE2-CA 3.3Å; E239-S383 WeakPolarHBondContact OE2-CA 3.44Å; E239-S383 PolarHBondContact OE2-OG 2.92Å; E239-K384 PolarHBondContact OE2-N 2.84Å |
| 240 | D | 90.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -88.5 | -4.2 | 178.8 | -58.2 | -32.3 | 0 | 0 | 0 | 112.4 | E234 S235 N237 P238 K242 S383 | E234-D240 HydrophobicContact CB-CB 4.04Å; E234-D240 WeakPolarHBondContact CB-O 3.15Å; E234-D240 WeakPolarHBondContact CG-O 3.19Å; S235-D240 WeakPolarHBondContact CB-OD2 3.21Å; S235-D240 PolarHBondContact OG-OD2 3.41Å; N237-D240 PolarHBondContact O-N 2.89Å; P238-D240 PolarHBondContact O-N 3.01Å; D240-K242 PolarHBondContact O-N 3.2Å; D240-S383 WeakPolarHBondContact OD1-CB 3.24Å |
| 241 | D | 94.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | trans | -58.4 | 133.8 | -177.8 | -78.1 | -8.8 | 0 | 0 | 0 | 111.6 | L231 P233 P238 E239 K270 | L231-D241 HydrophobicContact CD1-CB 4.02Å; P233-D241 WeakPolarHBondContact CA-OD1 3.28Å; P233-D241 WeakPolarHBondContact CB-OD1 3.46Å; P238-D241 VanDerWaalsContact O-CB 3.29Å; P238-D241 WeakPolarHBondContact O-CB 3.34Å; P238-D241 PolarHBondContact O-N 3.16Å; E239-D241 VanDerWaalsContact C-N 3.33Å; D241-K270 HydrophobicContact CB-CB 4.16Å; D241-K270 HydrophobicContact CB-CD 3.99Å; D241-K270 VanDerWaalsContact O-CB 3.28Å; D241-K270 WeakPolarHBondContact O-CB 2.8Å; D241-K270 PolarHBondContact O-N 3.25Å | ||
| 242 | K | 97.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 10% | 0.104 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150 | 178.7 | -71.1 | -180 | -169.5 | 162.2 | 0 | 112 | I232 E234 D240 Y244 Q267 I268 | I232-K242 PolarHBondContact N-O 2.92Å; I232-K242 PolarHBondContact O-N 3.17Å; E234-K242 HydrophobicContact CG-CB 4.21Å; E234-K242 HydrophobicContact CG-CD 3.72Å; E234-K242 HydrophobicContact CG-CG 3.83Å; E234-K242 IonicContact OE2-NZ 2.87Å; E234-K242 PolarHBondContact OE2-NZ 3.26Å; D240-K242 PolarHBondContact O-N 3.2Å; K242-Y244 HydrophobicContact CB-CD2 4.25Å; K242-Y244 HydrophobicContact CB-CE2 3.65Å; K242-Q267 HydrophobicContact CD-CB 4.35Å; K242-Q267 VanDerWaalsContact NZ-OE1 3.08Å; K242-I268 CarbonylContact C-O 3.59Å; K242-I268 VanDerWaalsContact CA-O 3.28Å; K242-I268 WeakPolarHBondContact CA-O 3.49Å |
| 243 | I | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.3 | 172.7 | -62.6 | 168.6 | 0 | 0 | 0 | 107.7 | L180 Y187 H230 L231 F245 Q267 I268 | L180-I243 HydrophobicContact CD2-CG1 4.31Å; L180-I243 HydrophobicContact CD2-CG2 3.91Å; Y187-I243 HydrophobicContact CD1-CD1 3.38Å; Y187-I243 HydrophobicContact CD1-CG2 4.48Å; Y187-I243 HydrophobicContact CD2-CD1 3.58Å; Y187-I243 HydrophobicContact CE1-CD1 3.13Å; Y187-I243 HydrophobicContact CE2-CD1 3.39Å; Y187-I243 HydrophobicContact CG-CD1 3.58Å; H230-I243 WeakPolarHBondContact O-CA 3.31Å; L231-I243 HydrophobicContact CD1-CG1 4.04Å; I243-F245 HydrophobicContact CG2-CD2 4.05Å; I243-F245 HydrophobicContact CG2-CE2 3.59Å; I243-F245 HydrophobicContact CG2-CZ 4.39Å; I243-Q267 CarbonylContact O-C 3.57Å; I243-Q267 WeakPolarHBondContact O-CA 3.43Å; I243-I268 PolarHBondContact N-O 2.88Å; I243-I268 PolarHBondContact O-N 2.95Å |
| 244 | Y | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.7 | -179.4 | -68.7 | -92.3 | 0 | 0 | 0 | 110.1 | A229 H230 I232 E234 K242 I265 G266 Q267 M345 V348 F352 | A229-Y244 CarbonylContact C-O 3.56Å; A229-Y244 VanDerWaalsContact CA-O 3.28Å; A229-Y244 WeakPolarHBondContact CA-O 3.47Å; H230-Y244 PolarHBondContact N-O 2.82Å; H230-Y244 PolarHBondContact O-N 3.04Å; I232-Y244 HydrophobicContact CB-CD2 3.78Å; I232-Y244 HydrophobicContact CB-CE2 3.77Å; I232-Y244 HydrophobicContact CD1-CD2 3.77Å; I232-Y244 HydrophobicContact CD1-CE2 4.25Å; I232-Y244 HydrophobicContact CD1-CG 4.24Å; I232-Y244 HydrophobicContact CG1-CD2 3.9Å; I232-Y244 HydrophobicContact CG1-CE2 4.36Å; I232-Y244 HydrophobicContact CG2-CE2 4.49Å; E234-Y244 PolarHBondContact OE1-OH 3.28Å; E234-Y244 PolarHBondContact OE2-OH 3.44Å; K242-Y244 HydrophobicContact CB-CD2 4.25Å; K242-Y244 HydrophobicContact CB-CE2 3.65Å; Y244-I265 HydrophobicContact CD1-CD1 3.79Å; Y244-I265 HydrophobicContact CD1-CG1 4.02Å; Y244-I265 HydrophobicContact CE1-CD1 4.45Å; Y244-G266 CarbonylContact C-O 3.6Å; Y244-G266 WeakPolarHBondContact CA-O 3.44Å; Y244-Q267 HydrophobicContact CD1-CB 3.99Å; Y244-Q267 HydrophobicContact CE1-CB 3.79Å; Y244-M345 HydrophobicContact CD1-CE 4.27Å; Y244-M345 HydrophobicContact CD2-CE 4.31Å; Y244-M345 HydrophobicContact CE1-CE 3.75Å; Y244-M345 HydrophobicContact CE2-CE 3.81Å; Y244-M345 VanDerWaalsContact CZ-CE 3.47Å; Y244-V348 HydrophobicContact CE1-CG1 3.98Å; Y244-F352 HydrophobicContact CD1-CE2 4.47Å; Y244-F352 HydrophobicContact CE1-CD2 4.45Å; Y244-F352 AromaticContact CE1-CE2 3.96Å; Y244-F352 HydrophobicContact CE1-CE2 3.96Å |
| 245 | F | 98.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.6 | 175.3 | -81.5 | -94.3 | 0 | 0 | 0 | 110.2 | A178 I201 A229 I243 F247 I265 G266 I268 | A178-F245 HydrophobicContact CB-CD1 4.32Å; A178-F245 HydrophobicContact CB-CE1 4.41Å; I201-F245 HydrophobicContact CD1-CB 4.11Å; I201-F245 HydrophobicContact CD1-CD1 4.32Å; I201-F245 HydrophobicContact CD1-CD2 4.18Å; I201-F245 HydrophobicContact CD1-CG 3.94Å; I201-F245 HydrophobicContact CG1-CD1 4.25Å; I201-F245 HydrophobicContact CG1-CE1 4.43Å; I201-F245 HydrophobicContact CG1-CG 4.35Å; I201-F245 HydrophobicContact CG2-CD1 4.35Å; I201-F245 HydrophobicContact CG2-CD2 3.92Å; I201-F245 HydrophobicContact CG2-CE1 3.89Å; I201-F245 HydrophobicContact CG2-CE2 3.41Å; I201-F245 VanDerWaalsContact CG2-CE2 3.41Å; I201-F245 HydrophobicContact CG2-CG 4.36Å; I201-F245 HydrophobicContact CG2-CZ 3.39Å; A229-F245 HydrophobicContact CB-CD1 3.79Å; A229-F245 HydrophobicContact CB-CE1 3.58Å; A229-F245 HydrophobicContact CB-CE2 4.44Å; A229-F245 HydrophobicContact CB-CG 4.32Å; A229-F245 HydrophobicContact CB-CZ 3.93Å; I243-F245 HydrophobicContact CG2-CD2 4.05Å; I243-F245 HydrophobicContact CG2-CE2 3.59Å; I243-F245 HydrophobicContact CG2-CZ 4.39Å; F245-F247 HydrophobicContact CB-CD1 4.3Å; F245-I265 CarbonylContact O-C 3.46Å; F245-I265 WeakPolarHBondContact O-CA 3.46Å; F245-G266 PolarHBondContact N-O 3.06Å; F245-G266 PolarHBondContact O-N 2.9Å; F245-I268 HydrophobicContact CD2-CD1 4.36Å; F245-I268 HydrophobicContact CE2-CD1 4.27Å |
| 246 | F | 98.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128 | 175 | -64.4 | -91.3 | 0 | 0 | 0 | 109.3 | V227 S228 H230 I265 L291 L308 V311 V324 | V227-F246 WeakPolarHBondContact CB-O 3.44Å; V227-F246 PolarHBondContact N-O 3.45Å; S228-F246 PolarHBondContact N-O 2.85Å; S228-F246 PolarHBondContact O-N 2.78Å; H230-F246 AromaticContact CD2-CD2 3.95Å; H230-F246 AromaticContact CD2-CE2 3.87Å; F246-I265 HydrophobicContact CD1-CB 4.31Å; F246-I265 HydrophobicContact CD1-CD1 4.44Å; F246-I265 HydrophobicContact CD1-CG1 4.2Å; F246-I265 HydrophobicContact CE1-CB 4.16Å; F246-I265 HydrophobicContact CE1-CD1 3.54Å; F246-I265 HydrophobicContact CE1-CG1 3.77Å; F246-I265 HydrophobicContact CZ-CD1 3.6Å; F246-I265 HydrophobicContact CZ-CG1 4.04Å; F246-L291 HydrophobicContact CD1-CD1 4.07Å; F246-L291 HydrophobicContact CE1-CD1 4.37Å; F246-L308 HydrophobicContact CB-CD2 4.05Å; F246-V311 HydrophobicContact CB-CG2 3.85Å; F246-V311 HydrophobicContact CD1-CG1 4.2Å; F246-V311 HydrophobicContact CD1-CG2 3.88Å; F246-V311 HydrophobicContact CD2-CG1 4.12Å; F246-V311 HydrophobicContact CE1-CG1 4.24Å; F246-V311 HydrophobicContact CE2-CG1 4.18Å; F246-V311 HydrophobicContact CG-CB 4.32Å; F246-V311 HydrophobicContact CG-CG1 4.13Å; F246-V311 HydrophobicContact CG-CG2 3.86Å; F246-V311 HydrophobicContact CZ-CG1 4.23Å; F246-V324 HydrophobicContact CE1-CG1 3.73Å; F246-V324 HydrophobicContact CZ-CG1 3.85Å; F246-V324 HydrophobicContact CZ-CG2 4.39Å |
| 247 | F | 98.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 167.4 | -176.8 | 60.5 | -81.7 | 0 | 0 | 0 | 110.8 | L221 P224 R225 F226 F245 E249 R264 K288 | L221-F247 HydrophobicContact CD2-CD2 4.41Å; L221-F247 HydrophobicContact CD2-CE2 3.66Å; L221-F247 HydrophobicContact CD2-CZ 3.75Å; P224-F247 HydrophobicContact CB-CD2 3.9Å; P224-F247 HydrophobicContact CB-CE2 4.47Å; R225-F247 VanDerWaalsContact O-CA 3.29Å; R225-F247 WeakPolarHBondContact O-CA 3.17Å; R225-F247 WeakPolarHBondContact O-CB 3.42Å; F226-F247 HydrophobicContact CD1-CB 3.85Å; F226-F247 HydrophobicContact CD1-CG 4.28Å; F226-F247 HydrophobicContact CE1-CB 4.46Å; F226-F247 HydrophobicContact CE1-CG 4.45Å; F226-F247 HydrophobicContact CG-CB 4.49Å; F245-F247 HydrophobicContact CB-CD1 4.3Å; F247-E249 HydrophobicContact CD2-CB 4.28Å; F247-E249 HydrophobicContact CE2-CB 4.31Å; F247-E249 HydrophobicContact CE2-CG 4.27Å; F247-R264 HydrophobicContact CD1-CB 4.17Å; F247-R264 HydrophobicContact CD2-CB 3.92Å; F247-R264 HydrophobicContact CD2-CG 4.26Å; F247-R264 HydrophobicContact CE1-CB 3.87Å; F247-R264 HydrophobicContact CE2-CB 3.61Å; F247-R264 HydrophobicContact CE2-CG 3.77Å; F247-R264 HydrophobicContact CG-CB 4.19Å; F247-R264 HydrophobicContact CZ-CB 3.58Å; F247-R264 HydrophobicContact CZ-CG 4.08Å; F247-R264 PolarHBondContact N-O 3.02Å; F247-R264 VanDerWaalsContact N-O 3.12Å; F247-R264 WeakPolarHBondContact O-CA 3.14Å; F247-R264 PolarHBondContact O-N 3.46Å; F247-K288 HydrophobicContact CZ-CB 4.41Å; F247-K288 HydrophobicContact CZ-CD 4.2Å |
| 248 | R | 97.6 | Very high | 83 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.1 | 166 | 62.3 | -173.2 | -167.4 | -115.6 | 8.1 | 110 | P224 R225 T261 H262 E307 L308 Q309 | P224-R248 CarbonylContact C-O 3.39Å; P224-R248 VanDerWaalsContact CA-O 3.24Å; P224-R248 WeakPolarHBondContact CA-O 3.48Å; R225-R248 HydrophobicContact CB-CG 3.8Å; R225-R248 HydrophobicContact CG-CG 4.36Å; R225-R248 PolarHBondContact N-O 3.43Å; R225-R248 PolarHBondContact O-N 2.86Å; R248-T261 HydrophobicContact CB-CG2 3.89Å; R248-T261 HydrophobicContact CG-CG2 4.25Å; R248-H262 CarbonylContact C-O 3.49Å; R248-H262 VanDerWaalsContact CA-O 3.26Å; R248-H262 WeakPolarHBondContact CA-O 3.2Å; R248-E307 WeakPolarHBondContact CD-OE2 3.36Å; R248-E307 IonicContact CZ-OE2 3.82Å; R248-E307 IonicContact NE-OE2 3.14Å; R248-E307 PolarHBondContact NE-OE2 2.74Å; R248-E307 IonicContact NH2-OE2 3.96Å; R248-L308 WeakPolarHBondContact CD-O 3.42Å; R248-L308 PolarHBondContact NH1-O 3.35Å; R248-Q309 VanDerWaalsContact NH1-CD 3.35Å |
| 249 | E | 95.8 | Very high | 82 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 164.2 | -178.1 | 70.3 | 176.9 | 167.1 | 0 | 0 | 110.7 | N222 P224 F247 A251 T261 H262 R264 K288 | N222-E249 PolarHBondContact N-OE2 2.89Å; N222-E249 WeakPolarHBondContact O-CB 3.11Å; P224-E249 HydrophobicContact CB-CB 4.31Å; F247-E249 HydrophobicContact CD2-CB 4.28Å; F247-E249 HydrophobicContact CE2-CB 4.31Å; F247-E249 HydrophobicContact CE2-CG 4.27Å; E249-A251 PolarHBondContact O-N 2.9Å; E249-T261 CarbonylContact O-C 3.57Å; E249-T261 WeakPolarHBondContact O-CA 3.04Å; E249-H262 PolarHBondContact N-O 3.44Å; E249-H262 PolarHBondContact O-N 2.84Å; E249-R264 HydrophobicContact CG-CG 3.93Å; E249-R264 WeakPolarHBondContact OE1-CG 3.09Å; E249-R264 IonicContact OE1-CZ 3.24Å; E249-R264 IonicContact OE1-NE 2.73Å; E249-R264 PolarHBondContact OE1-NE 3.27Å; E249-R264 IonicContact OE1-NH2 3.12Å; E249-K288 VanDerWaalsContact OE1-CE 3.28Å; E249-K288 WeakPolarHBondContact OE1-CE 3.49Å; E249-K288 IonicContact OE1-NZ 3.78Å; E249-K288 PolarHBondContact OE1-NZ 3.38Å; E249-K288 IonicContact OE2-NZ 2.98Å; E249-K288 PolarHBondContact OE2-NZ 2.04Å |
| 250 | N | 93.1 | Very high | 81.7 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.5 | 174.6 | -67.8 | -25.1 | 0 | 0 | 0 | 109.9 | N222 D223 | N222-N250 WeakPolarHBondContact ND2-CB 3.2Å; N222-N250 PolarHBondContact ND2-O 2.85Å; N222-N250 PolarHBondContact O-N 3.33Å; D223-N250 WeakPolarHBondContact CB-ND2 3.42Å; D223-N250 PolarHBondContact OD2-ND2 2.82Å |
| 251 | A | 88.3 | Confident | 81.8 | Confident | 17 Ų | 17 | 51 Ų | 51 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | trans | -60.3 | 142.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E249 D253 A260 | E249-A251 PolarHBondContact O-N 2.9Å; A251-D253 VanDerWaalsContact C-N 3.29Å; A251-D253 PolarHBondContact O-N 2.82Å; A251-A260 HydrophobicContact CB-CB 3.93Å; A251-A260 WeakPolarHBondContact CB-O 3.22Å; A251-A260 PolarHBondContact N-O 3.41Å | ||
| 252 | I | 81.1 | Confident | 81.8 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -101.3 | 53.8 | -180 | -49.8 | 163.2 | 0 | 0 | 0 | 107.2 | S218 N222 R359 W366 | S218-I252 WeakPolarHBondContact O-CD1 3.45Å; N222-I252 HydrophobicContact CB-CD1 4.36Å; N222-I252 HydrophobicContact CB-CG1 4.08Å; I252-R359 PolarHBondContact O-NH1 3.12Å; I252-W366 HydrophobicContact CB-CZ2 4.08Å; I252-W366 HydrophobicContact CD1-CZ2 4.49Å; I252-W366 HydrophobicContact CG2-CZ2 4.13Å; I252-W366 PolarHBondContact O-NE1 2.89Å | ||
| 253 | D | 68.8 | Low | 81.8 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | trans | -92.3 | 152.7 | 177 | -62.7 | -32.3 | 0 | 0 | 0 | 109.5 | A251 T257 | A251-D253 VanDerWaalsContact C-N 3.29Å; A251-D253 PolarHBondContact O-N 2.82Å; D253-T257 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 254 | G | 54 | Low | 81.8 | Confident | 30 Ų | 30 | 51 Ų | 51 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | trans | -56.8 | 162.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H256 T257 | G254-H256 PolarHBondContact O-N 3.44Å; G254-T257 PolarHBondContact O-N 3.31Å; G254-T257 PolarHBondContact O-OG1 2.96Å | ||
| 255 | E | 49.7 | Very low | 81.8 | Confident | 196 Ų | 196 | 51 Ų | 51 | 92% | 0.916 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -9.1 | -174.2 | -80.5 | 176.9 | 146 | 0 | 0 | 117 | ||
| 256 | H | 47.8 | Very low | 81.8 | Confident | 178 Ų | 178 | 51 Ų | 51 | 82% | 0.824 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -12.6 | -169.2 | -64.7 | 65.6 | 0 | 0 | 0 | 114.4 | G254 | G254-H256 PolarHBondContact O-N 3.44Š|
| 257 | T | 52.6 | Low | 81.8 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 52% | 0.521 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -110.2 | 123.2 | 174.7 | 44.4 | 0 | 0 | 0 | 0 | 107.5 | D253 G254 | D253-T257 WeakPolarHBondContact CB-OG1 3.48Å; G254-T257 PolarHBondContact O-N 3.31Å; G254-T257 PolarHBondContact O-OG1 2.96Å |
| 258 | G | 56.7 | Low | 81.7 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | trans | -53 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | A260 | G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.04Å | ||
| 259 | K | 69.9 | Low | 81.7 | Confident | 208 Ų | 208 | 49 Ų | 49 | 90% | 0.904 | 27% | 0.272 | S | S | * | . | trans | -58.9 | 89.9 | -179.3 | -63.8 | -178.3 | -179.3 | -178.6 | 0 | 111.4 | ||||
| 260 | A | 84.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | trans | -88 | 146.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A251 G258 | A251-A260 HydrophobicContact CB-CB 3.93Å; A251-A260 WeakPolarHBondContact CB-O 3.22Å; A251-A260 PolarHBondContact N-O 3.41Å; G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.04Å | ||
| 261 | T | 92.1 | Very high | 81.8 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 148.2 | 170.9 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | R248 E249 D306 E307 | R248-T261 HydrophobicContact CB-CG2 3.89Å; R248-T261 HydrophobicContact CG-CG2 4.25Å; E249-T261 CarbonylContact O-C 3.57Å; E249-T261 WeakPolarHBondContact O-CA 3.04Å; T261-D306 WeakPolarHBondContact O-CB 3.43Å; T261-E307 WeakPolarHBondContact CB-OE1 3.44Å; T261-E307 WeakPolarHBondContact CG2-OE1 3.02Å; T261-E307 PolarHBondContact OG1-OE1 2.83Å |
| 262 | H | 93.9 | Very high | 82.1 | Confident | 16 Ų | 16 | 49 Ų | 49 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.3 | 169.6 | -72.3 | -17.8 | 0 | 0 | 0 | 111.1 | R248 E249 R290 | R248-H262 CarbonylContact C-O 3.49Å; R248-H262 VanDerWaalsContact CA-O 3.26Å; R248-H262 WeakPolarHBondContact CA-O 3.2Å; E249-H262 PolarHBondContact N-O 3.44Å; E249-H262 PolarHBondContact O-N 2.84Å; H262-R290 PolarHBondContact CE1-NH1 2.88Å; H262-R290 PolarHBondContact ND1-NE 2.87Å |
| 263 | A | 98 | Very high | 82.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R290 L291 D306 L308 F328 | A263-R290 WeakPolarHBondContact O-CA 3.43Å; A263-L291 HydrophobicContact CB-CB 4.07Å; A263-L291 PolarHBondContact O-N 3.07Å; A263-D306 PolarHBondContact N-O 2.79Å; A263-L308 HydrophobicContact CB-CB 3.85Å; A263-F328 HydrophobicContact CB-CD1 4.19Å; A263-F328 HydrophobicContact CB-CE1 3.59Å |
| 264 | R | 98.4 | Very high | 84.1 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145 | -173.9 | -63.3 | -63.8 | -166.3 | -174.5 | -5.2 | 111.7 | F247 E249 A289 | F247-R264 HydrophobicContact CD1-CB 4.17Å; F247-R264 HydrophobicContact CD2-CB 3.92Å; F247-R264 HydrophobicContact CD2-CG 4.26Å; F247-R264 HydrophobicContact CE1-CB 3.87Å; F247-R264 HydrophobicContact CE2-CB 3.61Å; F247-R264 HydrophobicContact CE2-CG 3.77Å; F247-R264 HydrophobicContact CG-CB 4.19Å; F247-R264 HydrophobicContact CZ-CB 3.58Å; F247-R264 HydrophobicContact CZ-CG 4.08Å; F247-R264 PolarHBondContact N-O 3.02Å; F247-R264 VanDerWaalsContact N-O 3.12Å; F247-R264 WeakPolarHBondContact O-CA 3.14Å; F247-R264 PolarHBondContact O-N 3.46Å; E249-R264 HydrophobicContact CG-CG 3.93Å; E249-R264 WeakPolarHBondContact OE1-CG 3.09Å; E249-R264 IonicContact OE1-CZ 3.24Å; E249-R264 IonicContact OE1-NE 2.73Å; E249-R264 PolarHBondContact OE1-NE 3.27Å; E249-R264 IonicContact OE1-NH2 3.12Å; R264-A289 VanDerWaalsContact CA-O 3.3Å; R264-A289 WeakPolarHBondContact CA-O 3.35Å; R264-A289 WeakPolarHBondContact CD-O 3.42Å |
| 265 | I | 98.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.9 | 159 | -173.5 | 173.5 | 0 | 0 | 0 | 107.9 | Y244 F245 F246 K288 A289 L291 V348 F352 V413 | Y244-I265 HydrophobicContact CD1-CD1 3.79Å; Y244-I265 HydrophobicContact CD1-CG1 4.02Å; Y244-I265 HydrophobicContact CE1-CD1 4.45Å; F245-I265 CarbonylContact O-C 3.46Å; F245-I265 WeakPolarHBondContact O-CA 3.46Å; F246-I265 HydrophobicContact CD1-CB 4.31Å; F246-I265 HydrophobicContact CD1-CD1 4.44Å; F246-I265 HydrophobicContact CD1-CG1 4.2Å; F246-I265 HydrophobicContact CE1-CB 4.16Å; F246-I265 HydrophobicContact CE1-CD1 3.54Å; F246-I265 HydrophobicContact CE1-CG1 3.77Å; F246-I265 HydrophobicContact CZ-CD1 3.6Å; F246-I265 HydrophobicContact CZ-CG1 4.04Å; I265-K288 CarbonylContact O-C 3.56Å; I265-K288 VanDerWaalsContact O-CA 3.28Å; I265-K288 WeakPolarHBondContact O-CA 3.26Å; I265-A289 HydrophobicContact CG2-CB 4.16Å; I265-A289 PolarHBondContact N-O 3.29Å; I265-A289 PolarHBondContact O-N 3.15Å; I265-L291 HydrophobicContact CB-CD1 4.15Å; I265-L291 HydrophobicContact CB-CD2 4.45Å; I265-L291 HydrophobicContact CB-CG 4.24Å; I265-L291 HydrophobicContact CG2-CD2 4.16Å; I265-L291 HydrophobicContact CG2-CG 4.17Å; I265-V348 HydrophobicContact CD1-CG1 3.76Å; I265-V348 HydrophobicContact CD1-CG2 4.13Å; I265-F352 HydrophobicContact CG2-CE2 4.39Å; I265-F352 HydrophobicContact CG2-CZ 4.16Å; I265-V413 HydrophobicContact CG2-CG2 4.33Å |
| 266 | G | 98.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y244 F245 L287 | Y244-G266 CarbonylContact C-O 3.6Å; Y244-G266 WeakPolarHBondContact CA-O 3.44Å; F245-G266 PolarHBondContact N-O 3.06Å; F245-G266 PolarHBondContact O-N 2.9Å; G266-L287 CarbonylContact C-O 3.52Å; G266-L287 WeakPolarHBondContact CA-O 3.41Å |
| 267 | Q | 98.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.4 | 172.1 | 63.3 | 151.6 | 64.6 | 0 | 0 | 111.1 | K242 I243 Y244 F286 L287 F352 G379 | K242-Q267 HydrophobicContact CD-CB 4.35Å; K242-Q267 VanDerWaalsContact NZ-OE1 3.08Å; I243-Q267 CarbonylContact O-C 3.57Å; I243-Q267 WeakPolarHBondContact O-CA 3.43Å; Y244-Q267 HydrophobicContact CD1-CB 3.99Å; Y244-Q267 HydrophobicContact CE1-CB 3.79Å; Q267-F286 WeakPolarHBondContact O-CA 3.09Å; Q267-L287 HydrophobicContact CG-CB 3.96Å; Q267-L287 PolarHBondContact N-O 2.79Å; Q267-L287 PolarHBondContact O-N 2.9Å; Q267-L287 VanDerWaalsContact O-N 3.12Å; Q267-F352 HydrophobicContact CB-CE1 4.49Å; Q267-F352 HydrophobicContact CB-CE2 4.11Å; Q267-F352 HydrophobicContact CB-CZ 4.09Å; Q267-F352 HydrophobicContact CG-CD1 3.81Å; Q267-F352 HydrophobicContact CG-CD2 4.12Å; Q267-F352 HydrophobicContact CG-CE1 3.71Å; Q267-F352 HydrophobicContact CG-CE2 3.99Å; Q267-F352 HydrophobicContact CG-CG 4.04Å; Q267-F352 HydrophobicContact CG-CZ 3.79Å; Q267-F352 VanDerWaalsContact OE1-CG 3.31Å; Q267-G379 PolarHBondContact NE2-O 2.88Å |
| 268 | I | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.1 | 173.2 | -57.6 | 175.2 | 0 | 0 | 0 | 107.8 | I201 K242 I243 F245 W283 F286 | I201-I268 HydrophobicContact CB-CD1 4.47Å; I201-I268 HydrophobicContact CG2-CD1 3.67Å; K242-I268 CarbonylContact C-O 3.59Å; K242-I268 VanDerWaalsContact CA-O 3.28Å; K242-I268 WeakPolarHBondContact CA-O 3.49Å; I243-I268 PolarHBondContact N-O 2.88Å; I243-I268 PolarHBondContact O-N 2.95Å; F245-I268 HydrophobicContact CD2-CD1 4.36Å; F245-I268 HydrophobicContact CE2-CD1 4.27Å; I268-W283 HydrophobicContact CD1-CD2 4.02Å; I268-W283 HydrophobicContact CD1-CG 4.14Å; I268-W283 HydrophobicContact CD1-CZ2 4.33Å; I268-W283 HydrophobicContact CG2-CD2 3.75Å; I268-W283 HydrophobicContact CG2-CE3 3.35Å; I268-W283 HydrophobicContact CG2-CG 4.41Å; I268-W283 HydrophobicContact CG2-CH2 4.13Å; I268-W283 HydrophobicContact CG2-CZ2 4.47Å; I268-W283 HydrophobicContact CG2-CZ3 3.58Å; I268-F286 HydrophobicContact CD1-CD2 3.96Å; I268-F286 HydrophobicContact CG1-CB 4.28Å; I268-F286 HydrophobicContact CG1-CD2 3.75Å |
| 269 | C | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.6 | 171.8 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | N271 D272 T285 C381 | C269-N271 PolarHBondContact O-N 2.7Å; C269-D272 HydrophobicContact CB-CB 4.41Å; C269-D272 WeakPolarHBondContact O-CB 3.29Å; C269-D272 PolarHBondContact O-N 3.17Å; C269-D272 VanDerWaalsContact O-N 3.14Å; C269-T285 HydrophobicContact CB-CG2 3.94Å; C269-T285 PolarHBondContact N-OG1 2.95Å; C269-C381 HydrophobicContact CB-CB 3.69Å; C269-C381 WeakPolarHBondContact CB-SG 3.39Å; C269-C381 WeakPolarHBondContact SG-CA 3.41Å; C269-C381 WeakPolarHBondContact SG-CB 3.38Å; C269-C381 PolarHBondContact SG-N 3.48Å; C269-C381 CovalentContact SG-SG 2.04Å; C269-C381 PolarHBondContact SG-SG 2.82Å |
| 270 | K | 95.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.3 | -179.5 | -179.7 | -174.7 | 170.8 | -172.1 | 0 | 111.9 | D183 Y187 R203 L231 D241 D272 | D183-K270 WeakPolarHBondContact OD2-CE 3.4Å; D183-K270 IonicContact OD2-NZ 3.4Å; D183-K270 PolarHBondContact OD2-NZ 3Å; Y187-K270 PolarHBondContact OH-O 2.73Å; R203-K270 PolarHBondContact NH1-O 2.8Å; L231-K270 HydrophobicContact CD1-CD 4.26Å; D241-K270 HydrophobicContact CB-CB 4.16Å; D241-K270 HydrophobicContact CB-CD 3.99Å; D241-K270 VanDerWaalsContact O-CB 3.28Å; D241-K270 WeakPolarHBondContact O-CB 2.8Å; D241-K270 PolarHBondContact O-N 3.25Å; K270-D272 VanDerWaalsContact C-N 3.33Å; K270-D272 PolarHBondContact O-N 3.02Å |
| 271 | N | 94.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 19.4 | -179.4 | 68.3 | -13.9 | 0 | 0 | 0 | 114.7 | E239 C269 F273 P382 | E239-N271 PolarHBondContact O-ND2 3.46Å; C269-N271 PolarHBondContact O-N 2.7Å; N271-F273 HydrophobicContact CB-CE2 4.47Å; N271-F273 WeakPolarHBondContact O-CD2 3.46Å; N271-F273 VanDerWaalsContact O-CE2 3.25Å; N271-F273 WeakPolarHBondContact O-CE2 3.02Å; N271-F273 PolarHBondContact O-N 2.96Å; N271-P382 PolarHBondContact ND2-O 3.39Å |
| 272 | D | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -72.7 | 125.9 | 174.6 | -171.9 | -18.3 | 0 | 0 | 0 | 110.6 | R203 I211 C269 K270 G274 W283 T284 T285 T392 | R203-D272 VanDerWaalsContact CZ-O 3.23Å; R203-D272 PolarHBondContact NH1-O 3.46Å; R203-D272 PolarHBondContact NH2-O 3.44Å; I211-D272 WeakPolarHBondContact CD1-O 3.32Å; C269-D272 HydrophobicContact CB-CB 4.41Å; C269-D272 WeakPolarHBondContact O-CB 3.29Å; C269-D272 PolarHBondContact O-N 3.17Å; C269-D272 VanDerWaalsContact O-N 3.14Å; K270-D272 VanDerWaalsContact C-N 3.33Å; K270-D272 PolarHBondContact O-N 3.02Å; D272-G274 PolarHBondContact OD1-N 2.73Å; D272-W283 HydrophobicContact CB-CE3 3.86Å; D272-W283 HydrophobicContact CB-CZ3 3.92Å; D272-T284 VanDerWaalsContact CG-OG1 3.27Å; D272-T284 PolarHBondContact OD1-N 2.86Å; D272-T284 PolarHBondContact OD1-OG1 2.81Å; D272-T284 PolarHBondContact OD2-N 2.9Å; D272-T284 PolarHBondContact OD2-OG1 2.81Å; D272-T285 HydrophobicContact CB-CG2 4.32Å; D272-T285 WeakPolarHBondContact OD2-CB 3.19Å; D272-T285 WeakPolarHBondContact OD2-CG2 3.03Å; D272-T285 PolarHBondContact OD2-N 2.82Å; D272-T285 PolarHBondContact OD2-OG1 3.07Å; D272-T392 HydrophobicContact CB-CG2 4.13Å; D272-T392 PolarHBondContact OD1-OG1 2.78Å | ||
| 273 | F | 95.3 | Very high | 96.3 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 26% | 0.263 | 16% | 0.164 | S | C | . | . | trans | -113.3 | 12.4 | -179.5 | -67.2 | -69.9 | 0 | 0 | 0 | 113.1 | H208 N271 T392 | H208-F273 AromaticContact CD2-CE1 3.57Å; H208-F273 AromaticContact CE1-CE1 3.6Å; H208-F273 AromaticContact CG-CE1 3.79Å; H208-F273 AromaticContact ND1-CE1 3.82Å; H208-F273 AromaticContact NE2-CE1 3.44Å; H208-F273 WeakPolarHBondContact NE2-CE1 3.35Å; N271-F273 HydrophobicContact CB-CE2 4.47Å; N271-F273 WeakPolarHBondContact O-CD2 3.46Å; N271-F273 VanDerWaalsContact O-CE2 3.25Å; N271-F273 WeakPolarHBondContact O-CE2 3.02Å; N271-F273 PolarHBondContact O-N 2.96Å; F273-T392 PolarHBondContact N-OG1 2.91Å | ||
| 274 | G | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | 76.1 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D272 K282 T284 T392 K393 | D272-G274 PolarHBondContact OD1-N 2.73Å; G274-K282 WeakPolarHBondContact CA-O 3.37Å; G274-T284 VanDerWaalsContact C-CG2 3.45Å; G274-T392 PolarHBondContact N-OG1 3.34Å; G274-T392 CarbonylContact O-C 3.48Å; G274-T392 PolarHBondContact O-OG1 2.8Å; G274-K393 WeakPolarHBondContact O-CG 3.14Å | ||
| 275 | G | 95.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | trans | -90.5 | 161.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S278 L279 T284 | G275-S278 CarbonylContact C-O 3.56Å; G275-S278 WeakPolarHBondContact CA-O 3.01Å; G275-L279 PolarHBondContact N-O 2.59Å; G275-T284 VanDerWaalsContact N-CG2 3.29Å | ||
| 276 | H | 93.6 | Very high | 96.2 | Very high | 133 Ų | 133 | 33.7 Ų | 33.7 | 62% | 0.616 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -78.4 | -43.8 | -177.3 | -178.9 | -101.6 | 0 | 0 | 0 | 113.3 | K393 | H276-K393 HydrophobicContact CB-CB 4.29Å; H276-K393 VanDerWaalsContact CB-O 3.28Å; H276-K393 WeakPolarHBondContact CB-O 3.29Å |
| 277 | R | 91.8 | Very high | 96.2 | Very high | 186 Ų | 186 | 33.8 Ų | 33.8 | 70% | 0.702 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -112.8 | -49.3 | -179.9 | -64.9 | 177.8 | 177.5 | 169.1 | -1.7 | 112.8 | V280 D397 | R277-V280 WeakPolarHBondContact O-CG2 3.42Å; R277-D397 IonicContact NH1-OD2 2.72Å |
| 278 | S | 93 | Very high | 96.2 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -98.9 | 154.3 | 172.3 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | G275 V280 | G275-S278 CarbonylContact C-O 3.56Å; G275-S278 WeakPolarHBondContact CA-O 3.01Å; S278-V280 PolarHBondContact O-N 3.4Å |
| 279 | L | 95.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 53 | 35.6 | -176.8 | -60.5 | -176.9 | 0 | 0 | 0 | 113.7 | E214 W220 G275 N281 K282 W283 T284 I400 R404 | E214-L279 WeakPolarHBondContact OE2-CD2 3.37Å; W220-L279 HydrophobicContact CZ2-CD1 4.47Å; W220-L279 HydrophobicContact CZ2-CD2 4.37Å; G275-L279 PolarHBondContact N-O 2.59Å; L279-N281 PolarHBondContact O-N 3.33Å; L279-K282 HydrophobicContact CB-CB 4.11Å; L279-K282 HydrophobicContact CD2-CB 4.14Å; L279-K282 HydrophobicContact CD2-CD 4.08Å; L279-K282 PolarHBondContact O-N 3.28Å; L279-K282 VanDerWaalsContact O-O 3.08Å; L279-W283 WeakPolarHBondContact CD1-O 3.49Å; L279-T284 HydrophobicContact CB-CG2 4.09Å; L279-T284 HydrophobicContact CD1-CG2 4.21Å; L279-I400 HydrophobicContact CB-CG2 4.14Å; L279-I400 HydrophobicContact CD1-CG2 3.9Å; L279-I400 HydrophobicContact CG-CG2 3.93Å; L279-R404 HydrophobicContact CD1-CB 4.1Å; L279-R404 HydrophobicContact CD2-CB 4.31Å; L279-R404 HydrophobicContact CD2-CG 3.97Å; L279-R404 HydrophobicContact CG-CB 4.44Å |
| 280 | V | 96.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 127.9 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | R277 S278 K282 | R277-V280 WeakPolarHBondContact O-CG2 3.42Å; S278-V280 PolarHBondContact O-N 3.4Å; V280-K282 PolarHBondContact O-N 2.93Å |
| 281 | N | 95.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 34.8 Ų | 34.8 | 36% | 0.358 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 29.7 | -174 | -58.9 | -31.2 | 0 | 0 | 0 | 113.4 | I211 R212 L279 | I211-N281 WeakPolarHBondContact CA-O 3.31Å; R212-N281 PolarHBondContact N-O 3.2Å; R212-N281 VanDerWaalsContact N-O 3.15Å; L279-N281 PolarHBondContact O-N 3.33Å |
| 282 | K | 97.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 150 | 174.6 | -60.1 | 179.2 | -172.3 | 157.8 | 0 | 110.8 | R212 E214 G274 L279 V280 T284 | R212-K282 WeakPolarHBondContact O-CA 3.45Å; R212-K282 WeakPolarHBondContact O-CB 3.33Å; E214-K282 IonicContact OE1-NZ 3.66Å; E214-K282 PolarHBondContact OE1-NZ 3.36Å; E214-K282 WeakPolarHBondContact OE2-CD 3.48Å; E214-K282 WeakPolarHBondContact OE2-CE 3.21Å; E214-K282 IonicContact OE2-NZ 2.81Å; E214-K282 PolarHBondContact OE2-NZ 2.95Å; G274-K282 WeakPolarHBondContact CA-O 3.37Å; L279-K282 HydrophobicContact CB-CB 4.11Å; L279-K282 HydrophobicContact CD2-CB 4.14Å; L279-K282 HydrophobicContact CD2-CD 4.08Å; L279-K282 PolarHBondContact O-N 3.28Å; L279-K282 VanDerWaalsContact O-O 3.08Å; V280-K282 PolarHBondContact O-N 2.93Å; K282-T284 PolarHBondContact O-N 2.95Å |
| 283 | W | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -57 | 139.3 | 179.7 | -60 | 116.7 | 0 | 0 | 0 | 111 | Y187 I201 R203 I211 R212 W220 I268 D272 L279 F286 | Y187-W283 HydrophobicContact CD1-CH2 4.24Å; Y187-W283 HydrophobicContact CD1-CZ2 4.42Å; Y187-W283 AromaticContact CE1-CH2 3.79Å; Y187-W283 HydrophobicContact CE1-CH2 3.79Å; Y187-W283 HydrophobicContact CE1-CZ2 4.41Å; I201-W283 PolarHBondContact O-NE1 2.84Å; R203-W283 HydrophobicContact CB-CH2 3.4Å; R203-W283 VanDerWaalsContact CB-CH2 3.4Å; R203-W283 HydrophobicContact CB-CZ2 3.53Å; R203-W283 HydrophobicContact CG-CH2 4.35Å; I211-W283 HydrophobicContact CB-CD2 4.48Å; I211-W283 HydrophobicContact CB-CE3 4.47Å; I211-W283 HydrophobicContact CB-CH2 4.18Å; I211-W283 HydrophobicContact CB-CZ2 4.17Å; I211-W283 HydrophobicContact CB-CZ3 4.31Å; I211-W283 HydrophobicContact CD1-CZ3 4.32Å; I211-W283 HydrophobicContact CG2-CD2 3.45Å; I211-W283 VanDerWaalsContact CG2-CD2 3.45Å; I211-W283 HydrophobicContact CG2-CE3 3.57Å; I211-W283 HydrophobicContact CG2-CG 3.96Å; I211-W283 HydrophobicContact CG2-CH2 4.1Å; I211-W283 HydrophobicContact CG2-CZ2 4Å; I211-W283 HydrophobicContact CG2-CZ3 3.89Å; R212-W283 VanDerWaalsContact C-CD1 3.4Å; R212-W283 PolarHBondContact O-N 3.44Å; R212-W283 VanDerWaalsContact O-N 3.16Å; W220-W283 HydrophobicContact CH2-CB 4.5Å; W220-W283 VanDerWaalsContact CH2-O 3.29Å; W220-W283 WeakPolarHBondContact CH2-O 3.37Å; W220-W283 HydrophobicContact CZ3-CB 4.16Å; I268-W283 HydrophobicContact CD1-CD2 4.02Å; I268-W283 HydrophobicContact CD1-CG 4.14Å; I268-W283 HydrophobicContact CD1-CZ2 4.33Å; I268-W283 HydrophobicContact CG2-CD2 3.75Å; I268-W283 HydrophobicContact CG2-CE3 3.35Å; I268-W283 HydrophobicContact CG2-CG 4.41Å; I268-W283 HydrophobicContact CG2-CH2 4.13Å; I268-W283 HydrophobicContact CG2-CZ2 4.47Å; I268-W283 HydrophobicContact CG2-CZ3 3.58Å; D272-W283 HydrophobicContact CB-CE3 3.86Å; D272-W283 HydrophobicContact CB-CZ3 3.92Å; L279-W283 WeakPolarHBondContact CD1-O 3.49Å; W283-F286 HydrophobicContact CB-CB 3.87Å | ||
| 284 | T | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -109.7 | -15.8 | 174 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | D272 G274 G275 L279 K282 T392 I400 A403 | D272-T284 VanDerWaalsContact CG-OG1 3.27Å; D272-T284 PolarHBondContact OD1-N 2.86Å; D272-T284 PolarHBondContact OD1-OG1 2.81Å; D272-T284 PolarHBondContact OD2-N 2.9Å; D272-T284 PolarHBondContact OD2-OG1 2.81Å; G274-T284 VanDerWaalsContact C-CG2 3.45Å; G275-T284 VanDerWaalsContact N-CG2 3.29Å; L279-T284 HydrophobicContact CB-CG2 4.09Å; L279-T284 HydrophobicContact CD1-CG2 4.21Å; K282-T284 PolarHBondContact O-N 2.95Å; T284-T392 WeakPolarHBondContact OG1-CB 3.37Å; T284-T392 WeakPolarHBondContact OG1-CG2 3.26Å; T284-I400 HydrophobicContact CG2-CD1 3.58Å; T284-A403 WeakPolarHBondContact O-CB 3.41Å |
| 285 | T | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -109.4 | 3.1 | -175.4 | 61.3 | 0 | 0 | 0 | 0 | 114 | C269 D272 L287 T392 | C269-T285 HydrophobicContact CB-CG2 3.94Å; C269-T285 PolarHBondContact N-OG1 2.95Å; D272-T285 HydrophobicContact CB-CG2 4.32Å; D272-T285 WeakPolarHBondContact OD2-CB 3.19Å; D272-T285 WeakPolarHBondContact OD2-CG2 3.03Å; D272-T285 PolarHBondContact OD2-N 2.82Å; D272-T285 PolarHBondContact OD2-OG1 3.07Å; T285-L287 PolarHBondContact O-N 3.09Å; T285-T392 HydrophobicContact CG2-CG2 4.15Å |
| 286 | F | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | trans | -65.8 | 123.1 | -179.2 | 177.2 | -106.4 | 0 | 0 | 0 | 111.7 | I201 W220 L221 Q267 I268 W283 K288 P407 | I201-F286 HydrophobicContact CD1-CD2 4.31Å; I201-F286 HydrophobicContact CD1-CE2 3.6Å; I201-F286 HydrophobicContact CD1-CZ 4.25Å; W220-F286 HydrophobicContact CD2-CD1 4.22Å; W220-F286 HydrophobicContact CE3-CB 4.38Å; W220-F286 AromaticContact CE3-CD1 3.44Å; W220-F286 HydrophobicContact CE3-CD1 3.44Å; W220-F286 VanDerWaalsContact CE3-CD1 3.44Å; W220-F286 HydrophobicContact CE3-CE1 4.04Å; W220-F286 HydrophobicContact CE3-CG 4.16Å; W220-F286 HydrophobicContact CH2-CB 4.4Å; W220-F286 HydrophobicContact CZ3-CB 3.75Å; W220-F286 AromaticContact CZ3-CD1 3.71Å; W220-F286 HydrophobicContact CZ3-CD1 3.71Å; W220-F286 HydrophobicContact CZ3-CG 4.02Å; L221-F286 HydrophobicContact CD2-CZ 4.28Å; Q267-F286 WeakPolarHBondContact O-CA 3.09Å; I268-F286 HydrophobicContact CD1-CD2 3.96Å; I268-F286 HydrophobicContact CG1-CB 4.28Å; I268-F286 HydrophobicContact CG1-CD2 3.75Å; W283-F286 HydrophobicContact CB-CB 3.87Å; F286-K288 HydrophobicContact CZ-CB 4.23Å; F286-K288 HydrophobicContact CZ-CD 4.45Å; F286-P407 HydrophobicContact CD1-CB 4.1Å; F286-P407 HydrophobicContact CE1-CB 4.28Å | ||
| 287 | L | 98.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.9 | 169.3 | -64.8 | 176.3 | 0 | 0 | 0 | 110.3 | G266 Q267 T285 F352 Y356 P407 M409 | G266-L287 CarbonylContact C-O 3.52Å; G266-L287 WeakPolarHBondContact CA-O 3.41Å; Q267-L287 HydrophobicContact CG-CB 3.96Å; Q267-L287 PolarHBondContact N-O 2.79Å; Q267-L287 PolarHBondContact O-N 2.9Å; Q267-L287 VanDerWaalsContact O-N 3.12Å; T285-L287 PolarHBondContact O-N 3.09Å; L287-F352 HydrophobicContact CB-CD1 3.83Å; L287-F352 HydrophobicContact CB-CE1 3.85Å; L287-F352 HydrophobicContact CD1-CD1 4.31Å; L287-Y356 HydrophobicContact CD1-CE1 4.17Å; L287-Y356 HydrophobicContact CD2-CD1 4.23Å; L287-Y356 HydrophobicContact CD2-CE1 3.77Å; L287-P407 CarbonylContact C-O 3.44Å; L287-P407 VanDerWaalsContact CA-O 3.23Å; L287-P407 WeakPolarHBondContact CA-O 3.39Å; L287-M409 HydrophobicContact CB-SD 4.42Å; L287-M409 HydrophobicContact CD1-SD 4Å; L287-M409 HydrophobicContact CD2-SD 4.23Å; L287-M409 HydrophobicContact CG-SD 4.46Å |
| 288 | K | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147 | 173.5 | 69.7 | -179.2 | 179.1 | -175.8 | 0 | 113.3 | R219 W220 F247 E249 I265 F286 P407 A408 M409 | R219-K288 WeakPolarHBondContact O-CE 3.46Å; R219-K288 PolarHBondContact O-NZ 2.94Å; W220-K288 WeakPolarHBondContact O-CE 3.15Å; W220-K288 PolarHBondContact O-NZ 2.86Å; F247-K288 HydrophobicContact CZ-CB 4.41Å; F247-K288 HydrophobicContact CZ-CD 4.2Å; E249-K288 VanDerWaalsContact OE1-CE 3.28Å; E249-K288 WeakPolarHBondContact OE1-CE 3.49Å; E249-K288 IonicContact OE1-NZ 3.78Å; E249-K288 PolarHBondContact OE1-NZ 3.38Å; E249-K288 IonicContact OE2-NZ 2.98Å; E249-K288 PolarHBondContact OE2-NZ 2.04Å; I265-K288 CarbonylContact O-C 3.56Å; I265-K288 VanDerWaalsContact O-CA 3.28Å; I265-K288 WeakPolarHBondContact O-CA 3.26Å; F286-K288 HydrophobicContact CZ-CB 4.23Å; F286-K288 HydrophobicContact CZ-CD 4.45Å; K288-P407 PolarHBondContact N-O 3.19Å; K288-A408 HydrophobicContact CG-CB 4.24Å; K288-A408 CarbonylContact O-C 3.52Å; K288-A408 WeakPolarHBondContact O-CA 3.36Å; K288-M409 PolarHBondContact O-N 2.94Å |
| 289 | A | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | R264 I265 V351 F352 M409 V413 | R264-A289 VanDerWaalsContact CA-O 3.3Å; R264-A289 WeakPolarHBondContact CA-O 3.35Å; R264-A289 WeakPolarHBondContact CD-O 3.42Å; I265-A289 HydrophobicContact CG2-CB 4.16Å; I265-A289 PolarHBondContact N-O 3.29Å; I265-A289 PolarHBondContact O-N 3.15Å; A289-V351 HydrophobicContact CB-CG1 3.63Å; A289-F352 HydrophobicContact CB-CE1 4.15Å; A289-F352 HydrophobicContact CB-CZ 4.26Å; A289-M409 HydrophobicContact CB-CB 4.19Å; A289-M409 HydrophobicContact CB-CG 4.3Å; A289-V413 HydrophobicContact CB-CG2 4.12Å |
| 290 | R | 97.7 | Very high | 92.9 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133.8 | 173.5 | -175.5 | 173 | 179 | -169.7 | -2.3 | 109.7 | H262 A263 I292 D306 P412 V413 | H262-R290 PolarHBondContact CE1-NH1 2.88Å; H262-R290 PolarHBondContact ND1-NE 2.87Å; A263-R290 WeakPolarHBondContact O-CA 3.43Å; R290-I292 HydrophobicContact CG-CD1 4.02Å; R290-I292 VanDerWaalsContact NE-CD1 3.33Å; R290-D306 IonicContact CZ-OD1 3.23Å; R290-D306 IonicContact NE-OD1 2.75Å; R290-D306 IonicContact NH2-OD1 3.92Å; R290-D306 PolarHBondContact NH2-OD1 2.98Å; R290-D306 IonicContact NH2-OD2 2.92Å; R290-P412 HydrophobicContact CB-CB 4.2Å; R290-P412 CarbonylContact O-C 3.57Å; R290-P412 WeakPolarHBondContact O-CA 3.45Å; R290-V413 PolarHBondContact O-N 3.48Å |
| 291 | L | 98.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -91.6 | 130.2 | 165.1 | -71 | 165.6 | 0 | 0 | 0 | 108.6 | F246 A263 I265 F328 Y343 V413 | F246-L291 HydrophobicContact CD1-CD1 4.07Å; F246-L291 HydrophobicContact CE1-CD1 4.37Å; A263-L291 HydrophobicContact CB-CB 4.07Å; A263-L291 PolarHBondContact O-N 3.07Å; I265-L291 HydrophobicContact CB-CD1 4.15Å; I265-L291 HydrophobicContact CB-CD2 4.45Å; I265-L291 HydrophobicContact CB-CG 4.24Å; I265-L291 HydrophobicContact CG2-CD2 4.16Å; I265-L291 HydrophobicContact CG2-CG 4.17Å; L291-F328 HydrophobicContact CB-CE1 4.49Å; L291-F328 HydrophobicContact CB-CZ 4.47Å; L291-Y343 HydrophobicContact CB-CE1 4.46Å; L291-Y343 HydrophobicContact CD2-CD1 3.86Å; L291-Y343 HydrophobicContact CD2-CD2 4.26Å; L291-Y343 HydrophobicContact CD2-CE1 3.79Å; L291-Y343 HydrophobicContact CD2-CE2 4.21Å; L291-Y343 HydrophobicContact CD2-CG 4.09Å; L291-V413 HydrophobicContact CD2-CB 4Å; L291-V413 HydrophobicContact CD2-CG1 4.16Å |
| 292 | I | 97.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | -104.9 | 125.4 | 176.6 | -63 | -70.4 | 0 | 0 | 0 | 109 | R290 S294 Y343 P412 V413 F414 P415 | R290-I292 HydrophobicContact CG-CD1 4.02Å; R290-I292 VanDerWaalsContact NE-CD1 3.33Å; I292-S294 WeakPolarHBondContact CG2-OG 3.34Å; I292-Y343 WeakPolarHBondContact O-CE1 3.26Å; I292-Y343 PolarHBondContact O-OH 2.8Å; I292-P412 HydrophobicContact CD1-CB 4.24Å; I292-P412 HydrophobicContact CG1-CB 3.54Å; I292-P412 HydrophobicContact CG1-CG 4.09Å; I292-V413 PolarHBondContact N-O 2.98Å; I292-F414 HydrophobicContact CB-CD1 3.96Å; I292-F414 HydrophobicContact CB-CE1 4.14Å; I292-F414 HydrophobicContact CG1-CD1 4.39Å; I292-F414 HydrophobicContact CG1-CE1 4.18Å; I292-F414 HydrophobicContact CG2-CD1 3.87Å; I292-F414 HydrophobicContact CG2-CE1 3.85Å; I292-P415 VanDerWaalsContact O-CD 3.23Å; I292-P415 WeakPolarHBondContact O-CD 3.42Å | ||
| 293 | C | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -127.8 | 103.3 | 163.8 | -167.2 | 0 | 0 | 0 | 0 | 107.3 | F305 F328 C341 | C293-F305 HydrophobicContact CB-CB 4.46Å; C293-F305 PolarHBondContact O-N 3.41Å; C293-F328 HydrophobicContact CB-CB 4.3Å; C293-F328 HydrophobicContact CB-CD1 4.02Å; C293-F328 HydrophobicContact CB-CD2 3.7Å; C293-F328 HydrophobicContact CB-CE1 4.24Å; C293-F328 HydrophobicContact CB-CE2 3.97Å; C293-F328 HydrophobicContact CB-CG 3.74Å; C293-F328 HydrophobicContact CB-CZ 4.24Å; C293-C341 WeakPolarHBondContact CA-SG 3.2Å; C293-C341 HydrophobicContact CB-CB 3.87Å; C293-C341 WeakPolarHBondContact CB-SG 2.99Å; C293-C341 WeakPolarHBondContact SG-CB 3.19Å; C293-C341 CovalentContact SG-SG 2.05Å; C293-C341 PolarHBondContact SG-SG 2.9Å | ||
| 294 | S | 94.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.5 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | I292 T303 P420 | I292-S294 WeakPolarHBondContact CG2-OG 3.34Å; S294-T303 CarbonylContact C-O 3.43Å; S294-T303 WeakPolarHBondContact CA-O 3.24Å; S294-T303 VanDerWaalsContact CB-O 3.31Å; S294-T303 WeakPolarHBondContact CB-O 3.36Å; S294-P420 WeakPolarHBondContact O-CD 3.32Å |
| 295 | V | 89.9 | Confident | 91 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.4 | 174 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | G297 D302 T303 F305 P420 I423 | V295-G297 PolarHBondContact O-N 2.71Å; V295-D302 CarbonylContact O-C 3.58Å; V295-D302 WeakPolarHBondContact O-CA 3.43Å; V295-T303 PolarHBondContact N-O 2.84Å; V295-T303 PolarHBondContact O-N 2.76Å; V295-F305 HydrophobicContact CG2-CE2 4.05Å; V295-P420 HydrophobicContact CG2-CG 3.88Å; V295-I423 HydrophobicContact CG2-CD1 3.34Å; V295-I423 HydrophobicContact CG2-CG1 4.05Å |
| 296 | P | 85.3 | Confident | 90.8 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | trans | -65.8 | 124.8 | 177.6 | 26.3 | -32.5 | 0 | 0 | 0 | 110.3 | D302 | P296-D302 WeakPolarHBondContact CA-OD1 3.42Š| ||
| 297 | G | 79.4 | Confident | 90.7 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -81.4 | 155.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V295 N299 G300 I301 | V295-G297 PolarHBondContact O-N 2.71Å; G297-N299 PolarHBondContact O-N 2.63Å; G297-N299 VanDerWaalsContact O-N 3.14Å; G297-G300 PolarHBondContact O-N 3Å; G297-I301 WeakPolarHBondContact CA-O 3.43Å; G297-I301 PolarHBondContact N-O 2.86Å; G297-I301 VanDerWaalsContact N-O 3.12Å | ||
| 298 | P | 78.9 | Confident | 90.7 | Very high | 137 Ų | 137 | 46 Ų | 46 | 89% | 0.89 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24 | 179.6 | 24.4 | -33.6 | 0 | 0 | 0 | 113.3 | G300 | P298-G300 VanDerWaalsContact C-N 3.33Š|
| 299 | N | 78.6 | Confident | 90.6 | Very high | 147 Ų | 147 | 48.2 Ų | 48.2 | 79% | 0.786 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 9.5 | 176.9 | -61 | -18.5 | 0 | 0 | 0 | 113 | G297 I301 | G297-N299 PolarHBondContact O-N 2.63Å; G297-N299 VanDerWaalsContact O-N 3.14Å; N299-I301 VanDerWaalsContact C-N 3.26Å; N299-I301 PolarHBondContact O-N 2.78Å |
| 300 | G | 76.8 | Confident | 90.7 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 74.9 | 9.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G297 P298 | G297-G300 PolarHBondContact O-N 3Å; P298-G300 VanDerWaalsContact C-N 3.33Å |
| 301 | I | 82.3 | Confident | 90.7 | Very high | 131 Ų | 131 | 47 Ų | 47 | 67% | 0.672 | 28% | 0.283 | S | S | * | . | trans | -99.4 | 118.1 | 172.6 | -58.4 | 175.2 | 0 | 0 | 0 | 108.3 | G297 N299 | G297-I301 WeakPolarHBondContact CA-O 3.43Å; G297-I301 PolarHBondContact N-O 2.86Å; G297-I301 VanDerWaalsContact N-O 3.12Å; N299-I301 VanDerWaalsContact C-N 3.26Å; N299-I301 PolarHBondContact O-N 2.78Å | ||
| 302 | D | 87.1 | Confident | 90.7 | Very high | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | trans | -75.1 | 137.1 | 179.4 | -71.6 | 7.5 | 0 | 0 | 0 | 111.4 | V295 P296 H304 | V295-D302 CarbonylContact O-C 3.58Å; V295-D302 WeakPolarHBondContact O-CA 3.43Å; P296-D302 WeakPolarHBondContact CA-OD1 3.42Å; D302-H304 PolarHBondContact O-CD2 2.04Å | ||
| 303 | T | 89.1 | Confident | 90.7 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.9 | 167.5 | -57.9 | 0 | 0 | 0 | 0 | 108.7 | S294 V295 F305 | S294-T303 CarbonylContact C-O 3.43Å; S294-T303 WeakPolarHBondContact CA-O 3.24Å; S294-T303 VanDerWaalsContact CB-O 3.31Å; S294-T303 WeakPolarHBondContact CB-O 3.36Å; V295-T303 PolarHBondContact N-O 2.84Å; V295-T303 PolarHBondContact O-N 2.76Å; T303-F305 HydrophobicContact CG2-CE2 4.33Å; T303-F305 HydrophobicContact CG2-CZ 4.46Å |
| 304 | H | 91.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.9 | -178.6 | -68.5 | -88.2 | 0 | 0 | 0 | 113.3 | D302 D306 | D302-H304 PolarHBondContact O-CD2 2.04Å; H304-D306 WeakPolarHBondContact CB-OD2 3.37Å |
| 305 | F | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | trans | -113.2 | 85.5 | 168.4 | -56.6 | -99.3 | 0 | 0 | 0 | 107.6 | C293 V295 T303 F328 T329 T330 A339 I423 T425 | C293-F305 HydrophobicContact CB-CB 4.46Å; C293-F305 PolarHBondContact O-N 3.41Å; V295-F305 HydrophobicContact CG2-CE2 4.05Å; T303-F305 HydrophobicContact CG2-CE2 4.33Å; T303-F305 HydrophobicContact CG2-CZ 4.46Å; F305-F328 HydrophobicContact CB-CB 3.54Å; F305-F328 WeakPolarHBondContact O-CB 3.27Å; F305-F328 WeakPolarHBondContact O-CD1 3.3Å; F305-T329 CarbonylContact C-O 3.57Å; F305-T329 WeakPolarHBondContact CA-O 3.34Å; F305-T330 HydrophobicContact CD1-CG2 3.78Å; F305-T330 HydrophobicContact CE1-CG2 3.84Å; F305-A339 HydrophobicContact CB-CB 4.25Å; F305-A339 HydrophobicContact CD1-CB 3.77Å; F305-A339 HydrophobicContact CD2-CB 3.76Å; F305-A339 HydrophobicContact CE1-CB 3.99Å; F305-A339 HydrophobicContact CE2-CB 4Å; F305-A339 HydrophobicContact CG-CB 3.66Å; F305-A339 HydrophobicContact CZ-CB 4.11Å; F305-I423 HydrophobicContact CZ-CG2 3.95Å; F305-T425 HydrophobicContact CZ-CG2 4.37Å | ||
| 306 | D | 93.7 | Very high | 90 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | trans | -92.2 | -10.2 | -171.6 | -71.8 | -58.9 | 0 | 0 | 0 | 113.9 | T261 A263 R290 H304 L308 T329 | T261-D306 WeakPolarHBondContact O-CB 3.43Å; A263-D306 PolarHBondContact N-O 2.79Å; R290-D306 IonicContact CZ-OD1 3.23Å; R290-D306 IonicContact NE-OD1 2.75Å; R290-D306 IonicContact NH2-OD1 3.92Å; R290-D306 PolarHBondContact NH2-OD1 2.98Å; R290-D306 IonicContact NH2-OD2 2.92Å; H304-D306 WeakPolarHBondContact CB-OD2 3.37Å; D306-L308 PolarHBondContact O-N 3.32Å; D306-T329 PolarHBondContact N-O 3.33Å | ||
| 307 | E | 96.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 87 | -179.9 | -62.1 | -67.9 | 152.1 | 0 | 0 | 111.1 | R248 T261 Q309 F328 T329 S331 | R248-E307 WeakPolarHBondContact CD-OE2 3.36Å; R248-E307 IonicContact CZ-OE2 3.82Å; R248-E307 IonicContact NE-OE2 3.14Å; R248-E307 PolarHBondContact NE-OE2 2.74Å; R248-E307 IonicContact NH2-OE2 3.96Å; T261-E307 WeakPolarHBondContact CB-OE1 3.44Å; T261-E307 WeakPolarHBondContact CG2-OE1 3.02Å; T261-E307 PolarHBondContact OG1-OE1 2.83Å; E307-Q309 PolarHBondContact O-N 2.79Å; E307-Q309 PolarHBondContact O-NE2 2.92Å; E307-F328 CarbonylContact O-C 3.55Å; E307-F328 WeakPolarHBondContact O-CA 3.42Å; E307-T329 WeakPolarHBondContact CB-O 3.47Å; E307-T329 VanDerWaalsContact CB-OG1 3.26Å; E307-T329 WeakPolarHBondContact CB-OG1 3.24Å; E307-T329 PolarHBondContact N-O 2.82Å; E307-T329 PolarHBondContact O-N 3.4Å; E307-S331 WeakPolarHBondContact CG-OG 3.47Å; E307-S331 PolarHBondContact OE1-OG 3.48Å |
| 308 | L | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 119.1 | 175 | -179.9 | 71.7 | 0 | 0 | 0 | 111.5 | V227 F246 R248 A263 D306 V311 V327 F328 | V227-L308 HydrophobicContact CB-CD2 4.44Å; V227-L308 HydrophobicContact CG2-CD2 4.1Å; V227-L308 HydrophobicContact CG2-CG 4.15Å; F246-L308 HydrophobicContact CB-CD2 4.05Å; R248-L308 WeakPolarHBondContact CD-O 3.42Å; R248-L308 PolarHBondContact NH1-O 3.35Å; A263-L308 HydrophobicContact CB-CB 3.85Å; D306-L308 PolarHBondContact O-N 3.32Å; L308-V311 HydrophobicContact CD1-CG2 3.84Å; L308-V311 HydrophobicContact CD2-CG2 3.99Å; L308-V311 HydrophobicContact CG-CG2 4.28Å; L308-V327 CarbonylContact C-O 3.54Å; L308-F328 HydrophobicContact CB-CD1 4.12Å; L308-F328 HydrophobicContact CB-CE1 4Å; L308-F328 HydrophobicContact CD1-CD1 4.05Å; L308-F328 HydrophobicContact CD1-CD2 4.44Å; L308-F328 HydrophobicContact CD1-CE1 3.56Å; L308-F328 HydrophobicContact CD1-CE2 3.97Å; L308-F328 HydrophobicContact CD1-CG 4.47Å; L308-F328 HydrophobicContact CD1-CZ 3.49Å; L308-F328 VanDerWaalsContact CD1-CZ 3.49Å; L308-F328 HydrophobicContact CG-CE1 4.35Å |
| 309 | Q | 98.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 23% | 0.229 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -43 | -178.4 | -57 | -54.6 | -28.9 | 0 | 0 | 113.8 | R248 E307 V327 T329 | R248-Q309 VanDerWaalsContact NH1-CD 3.35Å; E307-Q309 PolarHBondContact O-N 2.79Å; E307-Q309 PolarHBondContact O-NE2 2.92Å; Q309-V327 HydrophobicContact CB-CB 4.44Å; Q309-V327 HydrophobicContact CB-CG1 4.08Å; Q309-V327 HydrophobicContact CG-CG1 4.47Å; Q309-V327 PolarHBondContact N-O 2.87Å; Q309-T329 HydrophobicContact CG-CG2 3.77Å; Q309-T329 PolarHBondContact NE2-OG1 2.86Å |
| 310 | D | 98.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 157.1 | -176.9 | -166 | 23.7 | 0 | 0 | 0 | 111.8 | G326 V327 Q433 I434 | D310-G326 WeakPolarHBondContact O-CA 3.34Å; D310-V327 HydrophobicContact CB-CB 4.41Å; D310-V327 PolarHBondContact O-N 3.24Å; D310-Q433 VanDerWaalsContact OD2-CA 3.32Å; D310-Q433 WeakPolarHBondContact OD2-CA 3.21Å; D310-I434 HydrophobicContact CB-CG2 4.49Å; D310-I434 PolarHBondContact OD2-N 3.2Å |
| 311 | V | 98.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.4 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | V227 F246 L308 L313 V324 Y325 | V227-V311 HydrophobicContact CG1-CG2 4.32Å; F246-V311 HydrophobicContact CB-CG2 3.85Å; F246-V311 HydrophobicContact CD1-CG1 4.2Å; F246-V311 HydrophobicContact CD1-CG2 3.88Å; F246-V311 HydrophobicContact CD2-CG1 4.12Å; F246-V311 HydrophobicContact CE1-CG1 4.24Å; F246-V311 HydrophobicContact CE2-CG1 4.18Å; F246-V311 HydrophobicContact CG-CB 4.32Å; F246-V311 HydrophobicContact CG-CG1 4.13Å; F246-V311 HydrophobicContact CG-CG2 3.86Å; F246-V311 HydrophobicContact CZ-CG1 4.23Å; L308-V311 HydrophobicContact CD1-CG2 3.84Å; L308-V311 HydrophobicContact CD2-CG2 3.99Å; L308-V311 HydrophobicContact CG-CG2 4.28Å; V311-L313 HydrophobicContact CG1-CD2 4.41Å; V311-V324 HydrophobicContact CG1-CG1 3.67Å; V311-Y325 CarbonylContact C-O 3.54Å; V311-Y325 VanDerWaalsContact CA-O 3.26Å; V311-Y325 WeakPolarHBondContact CA-O 3.47Å |
| 312 | F | 98.4 | Very high | 93.4 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.6 | 173.2 | -176.4 | -92.8 | 0 | 0 | 0 | 110.5 | M314 Y325 I434 V435 V436 I494 | F312-M314 HydrophobicContact CE1-CB 4.33Å; F312-M314 HydrophobicContact CE1-CE 4.35Å; F312-M314 HydrophobicContact CE1-SD 4.34Å; F312-Y325 PolarHBondContact N-O 2.7Å; F312-Y325 PolarHBondContact O-N 3.29Å; F312-I434 HydrophobicContact CB-CG2 4Å; F312-V435 HydrophobicContact CD2-CB 4.16Å; F312-V435 HydrophobicContact CD2-CG1 4.1Å; F312-V435 HydrophobicContact CE2-CB 4.07Å; F312-V435 HydrophobicContact CE2-CG1 4.19Å; F312-V436 HydrophobicContact CD1-CB 3.9Å; F312-V436 HydrophobicContact CD1-CG2 3.87Å; F312-V436 HydrophobicContact CE1-CB 3.82Å; F312-V436 HydrophobicContact CE1-CG2 4.32Å; F312-V436 VanDerWaalsContact CE1-O 3.3Å; F312-V436 WeakPolarHBondContact CE1-O 3.48Å; F312-V436 HydrophobicContact CG-CG2 4.48Å; F312-V436 VanDerWaalsContact CZ-O 3.25Å; F312-V436 WeakPolarHBondContact CZ-O 3.45Å; F312-I494 HydrophobicContact CE2-CG2 4.36Å |
| 313 | L | 97.3 | Very high | 93.9 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.1 | 173.5 | -62.7 | -169.5 | 0 | 0 | 0 | 109.6 | H230 I232 V311 P322 V324 | H230-L313 HydrophobicContact CB-CD1 3.48Å; H230-L313 VanDerWaalsContact CB-CD1 3.48Å; I232-L313 HydrophobicContact CD1-CD1 3.99Å; I232-L313 HydrophobicContact CG1-CD1 4.19Å; V311-L313 HydrophobicContact CG1-CD2 4.41Å; L313-P322 HydrophobicContact CB-CB 4.48Å; L313-V324 HydrophobicContact CD2-CB 4.12Å; L313-V324 HydrophobicContact CD2-CG1 4.04Å; L313-V324 HydrophobicContact CD2-CG2 3.71Å |
| 314 | M | 94.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.1 | 170.6 | -178.7 | 65.4 | 86.6 | 0 | 0 | 108.9 | F312 S316 P322 I323 Y325 V436 R438 | F312-M314 HydrophobicContact CE1-CB 4.33Å; F312-M314 HydrophobicContact CE1-CE 4.35Å; F312-M314 HydrophobicContact CE1-SD 4.34Å; M314-S316 PolarHBondContact O-N 2.89Å; M314-P322 VanDerWaalsContact O-CA 3.31Å; M314-P322 WeakPolarHBondContact O-CA 3.49Å; M314-P322 WeakPolarHBondContact O-CB 3.46Å; M314-I323 HydrophobicContact CB-CB 4.36Å; M314-I323 PolarHBondContact N-O 3.21Å; M314-I323 PolarHBondContact O-N 2.97Å; M314-Y325 HydrophobicContact CB-CD2 4.12Å; M314-Y325 HydrophobicContact CB-CE2 3.71Å; M314-Y325 HydrophobicContact CG-CE2 4.46Å; M314-V436 HydrophobicContact CE-CB 3.52Å; M314-V436 HydrophobicContact CE-CG1 3.29Å; M314-R438 HydrophobicContact CE-CB 4.28Å; M314-R438 HydrophobicContact SD-CB 4.4Å |
| 315 | N | 88.4 | Confident | 94.6 | Very high | 138 Ų | 138 | 43.4 Ų | 43.4 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | trans | -62.9 | 132.2 | 177 | -72.6 | 2 | 0 | 0 | 0 | 110.1 | ||||
| 316 | S | 84.4 | Confident | 94.8 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | trans | -97.3 | 176.1 | 169.7 | 100.4 | 0 | 0 | 0 | 0 | 110 | M314 D318 N321 | M314-S316 PolarHBondContact O-N 2.89Å; S316-D318 PolarHBondContact O-N 2.66Å; S316-D318 PolarHBondContact OG-N 2.87Å; S316-D318 PolarHBondContact OG-O 2.98Å; S316-N321 WeakPolarHBondContact CB-O 3.4Å; S316-N321 PolarHBondContact OG-O 2.89Å; S316-N321 VanDerWaalsContact OG-O 3.09Å | ||
| 317 | K | 85.9 | Confident | 95 | Very high | 215 Ų | 215 | 42.4 Ų | 42.4 | 94% | 0.935 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -58.9 | -29.8 | 170.5 | -66.7 | -176.4 | -179.3 | 178.9 | 0 | 112.1 | ||
| 318 | D | 90.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 41 Ų | 41 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -99.8 | 114.1 | 172.9 | 178.1 | 8.8 | 0 | 0 | 0 | 109.6 | S316 K320 N321 | S316-D318 PolarHBondContact O-N 2.66Å; S316-D318 PolarHBondContact OG-N 2.87Å; S316-D318 PolarHBondContact OG-O 2.98Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 VanDerWaalsContact O-N 3.12Å; D318-K320 VanDerWaalsContact OD1-CB 3.29Å; D318-K320 WeakPolarHBondContact OD1-CB 3.48Å; D318-K320 WeakPolarHBondContact OD1-CG 3.49Å; D318-K320 PolarHBondContact OD1-N 2.72Å; D318-N321 HydrophobicContact CB-CB 4.47Å; D318-N321 PolarHBondContact O-N 3.46Å; D318-N321 PolarHBondContact OD2-ND2 2.92Å |
| 319 | P | 90.3 | Very high | 95 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 58% | 0.584 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.5 | 179.8 | 27.7 | -35.5 | 0 | 0 | 0 | 113 | N321 | P319-N321 VanDerWaalsContact C-N 3.28Š|
| 320 | K | 93.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17 | 175.5 | -54.7 | 165.1 | -164.8 | 170.5 | 0 | 111.9 | P233 D236 D318 P322 R349 | P233-K320 HydrophobicContact CB-CG 4.32Å; P233-K320 WeakPolarHBondContact O-CA 3.22Å; D236-K320 VanDerWaalsContact OD1-CE 3.27Å; D236-K320 WeakPolarHBondContact OD1-CE 3.17Å; D236-K320 IonicContact OD1-NZ 3.95Å; D236-K320 PolarHBondContact OD1-NZ 2.95Å; D236-K320 IonicContact OD2-NZ 3.01Å; D236-K320 PolarHBondContact OD2-NZ 3.06Å; D318-K320 PolarHBondContact O-N 2.81Å; D318-K320 VanDerWaalsContact O-N 3.12Å; D318-K320 VanDerWaalsContact OD1-CB 3.29Å; D318-K320 WeakPolarHBondContact OD1-CB 3.48Å; D318-K320 WeakPolarHBondContact OD1-CG 3.49Å; D318-K320 PolarHBondContact OD1-N 2.72Å; K320-P322 VanDerWaalsContact C-CD 3.41Å; K320-R349 VanDerWaalsContact O-CZ 3.22Å; K320-R349 PolarHBondContact O-NH1 3.4Å; K320-R349 PolarHBondContact O-NH2 2.75Å |
| 321 | N | 95.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | trans | -128.5 | 56.9 | -173.5 | -71.5 | -62.9 | 0 | 0 | 0 | 113 | S316 D318 P319 R349 | S316-N321 WeakPolarHBondContact CB-O 3.4Å; S316-N321 PolarHBondContact OG-O 2.89Å; S316-N321 VanDerWaalsContact OG-O 3.09Å; D318-N321 HydrophobicContact CB-CB 4.47Å; D318-N321 PolarHBondContact O-N 3.46Å; D318-N321 PolarHBondContact OD2-ND2 2.92Å; P319-N321 VanDerWaalsContact C-N 3.28Å; N321-R349 PolarHBondContact OD1-NH1 2.61Å | ||
| 322 | P | 96.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | trans | -63.9 | 153.1 | 169.3 | 30.5 | -35.9 | 0 | 0 | 0 | 111 | I232 L313 M314 K320 M345 | I232-P322 HydrophobicContact CD1-CG 4.05Å; I232-P322 HydrophobicContact CG1-CG 4.4Å; I232-P322 HydrophobicContact CG2-CG 4.14Å; L313-P322 HydrophobicContact CB-CB 4.48Å; M314-P322 VanDerWaalsContact O-CA 3.31Å; M314-P322 WeakPolarHBondContact O-CA 3.49Å; M314-P322 WeakPolarHBondContact O-CB 3.46Å; K320-P322 VanDerWaalsContact C-CD 3.41Å; P322-M345 HydrophobicContact CG-CG 3.9Å; P322-M345 WeakPolarHBondContact O-CG 3.39Å | ||
| 323 | I | 96.6 | Very high | 92 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.8 | 169.8 | -59.7 | 174.8 | 0 | 0 | 0 | 107.9 | M314 Y325 T342 I416 | M314-I323 HydrophobicContact CB-CB 4.36Å; M314-I323 PolarHBondContact N-O 3.21Å; M314-I323 PolarHBondContact O-N 2.97Å; I323-Y325 HydrophobicContact CB-CE2 4.1Å; I323-Y325 HydrophobicContact CG2-CD2 4.08Å; I323-Y325 HydrophobicContact CG2-CE2 3.61Å; I323-T342 HydrophobicContact CG2-CG2 4.34Å; I323-I416 HydrophobicContact CG2-CD1 4.42Å |
| 324 | V | 98.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.4 | 179.4 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | F246 V311 L313 T342 Y343 M345 | F246-V324 HydrophobicContact CE1-CG1 3.73Å; F246-V324 HydrophobicContact CZ-CG1 3.85Å; F246-V324 HydrophobicContact CZ-CG2 4.39Å; V311-V324 HydrophobicContact CG1-CG1 3.67Å; L313-V324 HydrophobicContact CD2-CB 4.12Å; L313-V324 HydrophobicContact CD2-CG1 4.04Å; L313-V324 HydrophobicContact CD2-CG2 3.71Å; V324-T342 CarbonylContact O-C 3.56Å; V324-T342 WeakPolarHBondContact O-CA 3.37Å; V324-Y343 HydrophobicContact CB-CD2 4.46Å; V324-Y343 HydrophobicContact CG1-CD2 4.46Å; V324-Y343 PolarHBondContact N-O 3.29Å; V324-Y343 PolarHBondContact O-N 2.97Å; V324-M345 HydrophobicContact CG2-SD 3.87Å |
| 325 | Y | 98.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.5 | 169.1 | -70.8 | -108 | 0 | 0 | 0 | 108.6 | V311 F312 M314 I323 V340 T342 I421 I434 V436 D447 M449 | V311-Y325 CarbonylContact C-O 3.54Å; V311-Y325 VanDerWaalsContact CA-O 3.26Å; V311-Y325 WeakPolarHBondContact CA-O 3.47Å; F312-Y325 PolarHBondContact N-O 2.7Å; F312-Y325 PolarHBondContact O-N 3.29Å; M314-Y325 HydrophobicContact CB-CD2 4.12Å; M314-Y325 HydrophobicContact CB-CE2 3.71Å; M314-Y325 HydrophobicContact CG-CE2 4.46Å; I323-Y325 HydrophobicContact CB-CE2 4.1Å; I323-Y325 HydrophobicContact CG2-CD2 4.08Å; I323-Y325 HydrophobicContact CG2-CE2 3.61Å; Y325-V340 HydrophobicContact CD1-CG1 4.37Å; Y325-T342 HydrophobicContact CD1-CG2 3.5Å; Y325-T342 VanDerWaalsContact CD1-CG2 3.5Å; Y325-T342 HydrophobicContact CD2-CG2 4.32Å; Y325-T342 HydrophobicContact CE1-CG2 3.42Å; Y325-T342 VanDerWaalsContact CE1-CG2 3.42Å; Y325-T342 HydrophobicContact CE2-CG2 4.23Å; Y325-T342 HydrophobicContact CG-CG2 3.95Å; Y325-I421 HydrophobicContact CD1-CD1 4.05Å; Y325-I421 HydrophobicContact CE1-CD1 3.83Å; Y325-I434 HydrophobicContact CD1-CD1 4.4Å; Y325-V436 HydrophobicContact CD1-CG2 3.83Å; Y325-V436 HydrophobicContact CD2-CG2 4.26Å; Y325-V436 HydrophobicContact CE1-CG1 4.32Å; Y325-V436 HydrophobicContact CE1-CG2 4.13Å; Y325-V436 HydrophobicContact CG-CG2 3.92Å; Y325-D447 PolarHBondContact OH-OD2 2.86Å; Y325-M449 HydrophobicContact CD1-SD 4.34Å; Y325-M449 HydrophobicContact CE1-CG 4.48Å; Y325-M449 HydrophobicContact CE1-SD 4.26Å |
| 326 | G | 98.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | D310 F328 V340 C341 | D310-G326 WeakPolarHBondContact O-CA 3.34Å; G326-F328 VanDerWaalsContact C-CE2 3.49Å; G326-F328 VanDerWaalsContact O-CD2 3.31Å; G326-F328 WeakPolarHBondContact O-CD2 3.47Å; G326-F328 WeakPolarHBondContact O-CE2 3.4Å; G326-V340 WeakPolarHBondContact O-CA 3.48Å; G326-C341 PolarHBondContact N-O 3.39Å; G326-C341 PolarHBondContact O-N 3.37Å |
| 327 | V | 98.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128 | 170.1 | 175 | 0 | 0 | 0 | 0 | 108.8 | L308 Q309 D310 V340 F431 I434 | L308-V327 CarbonylContact C-O 3.54Å; Q309-V327 HydrophobicContact CB-CB 4.44Å; Q309-V327 HydrophobicContact CB-CG1 4.08Å; Q309-V327 HydrophobicContact CG-CG1 4.47Å; Q309-V327 PolarHBondContact N-O 2.87Å; D310-V327 HydrophobicContact CB-CB 4.41Å; D310-V327 PolarHBondContact O-N 3.24Å; V327-V340 HydrophobicContact CG2-CG2 4.41Å; V327-F431 HydrophobicContact CG1-CB 3.37Å; V327-F431 HydrophobicContact CG1-CD2 4.43Å; V327-F431 HydrophobicContact CG1-CG 4.43Å; V327-I434 HydrophobicContact CG2-CB 3.55Å; V327-I434 HydrophobicContact CG2-CD1 4.29Å; V327-I434 HydrophobicContact CG2-CG2 3.49Å; V327-I434 VanDerWaalsContact CG2-CG2 3.49Å |
| 328 | F | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148 | -178.6 | -60.4 | -99.4 | 0 | 0 | 0 | 110.5 | A263 L291 C293 F305 E307 L308 G326 S338 A339 C341 Y343 | A263-F328 HydrophobicContact CB-CD1 4.19Å; A263-F328 HydrophobicContact CB-CE1 3.59Å; L291-F328 HydrophobicContact CB-CE1 4.49Å; L291-F328 HydrophobicContact CB-CZ 4.47Å; C293-F328 HydrophobicContact CB-CB 4.3Å; C293-F328 HydrophobicContact CB-CD1 4.02Å; C293-F328 HydrophobicContact CB-CD2 3.7Å; C293-F328 HydrophobicContact CB-CE1 4.24Å; C293-F328 HydrophobicContact CB-CE2 3.97Å; C293-F328 HydrophobicContact CB-CG 3.74Å; C293-F328 HydrophobicContact CB-CZ 4.24Å; F305-F328 HydrophobicContact CB-CB 3.54Å; F305-F328 WeakPolarHBondContact O-CB 3.27Å; F305-F328 WeakPolarHBondContact O-CD1 3.3Å; E307-F328 CarbonylContact O-C 3.55Å; E307-F328 WeakPolarHBondContact O-CA 3.42Å; L308-F328 HydrophobicContact CB-CD1 4.12Å; L308-F328 HydrophobicContact CB-CE1 4Å; L308-F328 HydrophobicContact CD1-CD1 4.05Å; L308-F328 HydrophobicContact CD1-CD2 4.44Å; L308-F328 HydrophobicContact CD1-CE1 3.56Å; L308-F328 HydrophobicContact CD1-CE2 3.97Å; L308-F328 HydrophobicContact CD1-CG 4.47Å; L308-F328 HydrophobicContact CD1-CZ 3.49Å; L308-F328 VanDerWaalsContact CD1-CZ 3.49Å; L308-F328 HydrophobicContact CG-CE1 4.35Å; G326-F328 VanDerWaalsContact C-CE2 3.49Å; G326-F328 VanDerWaalsContact O-CD2 3.31Å; G326-F328 WeakPolarHBondContact O-CD2 3.47Å; G326-F328 WeakPolarHBondContact O-CE2 3.4Å; F328-S338 CarbonylContact O-C 3.58Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.36Å; F328-A339 PolarHBondContact N-O 3.38Å; F328-A339 PolarHBondContact O-N 2.63Å; F328-C341 HydrophobicContact CD2-CB 4.21Å; F328-C341 HydrophobicContact CE2-CB 3.87Å; F328-Y343 AromaticContact CE2-CE2 3.88Å; F328-Y343 HydrophobicContact CE2-CE2 3.88Å; F328-Y343 WeakPolarHBondContact CE2-OH 3.39Å; F328-Y343 AromaticContact CZ-CE2 3.83Å; F328-Y343 HydrophobicContact CZ-CE2 3.83Å; F328-Y343 AromaticContact CZ-CZ 3.87Å; F328-Y343 WeakPolarHBondContact CZ-OH 3.39Å |
| 329 | T | 96.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 163.7 | 168.7 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | F305 D306 E307 Q309 G337 Q430 | F305-T329 CarbonylContact C-O 3.57Å; F305-T329 WeakPolarHBondContact CA-O 3.34Å; D306-T329 PolarHBondContact N-O 3.33Å; E307-T329 WeakPolarHBondContact CB-O 3.47Å; E307-T329 VanDerWaalsContact CB-OG1 3.26Å; E307-T329 WeakPolarHBondContact CB-OG1 3.24Å; E307-T329 PolarHBondContact N-O 2.82Å; E307-T329 PolarHBondContact O-N 3.4Å; Q309-T329 HydrophobicContact CG-CG2 3.77Å; Q309-T329 PolarHBondContact NE2-OG1 2.86Å; T329-G337 CarbonylContact C-O 3.58Å; T329-G337 WeakPolarHBondContact CA-O 3.19Å; T329-G337 WeakPolarHBondContact CB-O 3.12Å; T329-Q430 HydrophobicContact CG2-CB 4Å; T329-Q430 HydrophobicContact CG2-CG 4.34Å |
| 330 | T | 92.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -69.1 | 145.2 | 171.3 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | F305 S332 F335 G337 | F305-T330 HydrophobicContact CD1-CG2 3.78Å; F305-T330 HydrophobicContact CE1-CG2 3.84Å; T330-S332 PolarHBondContact O-N 3.32Å; T330-F335 WeakPolarHBondContact CB-O 3.35Å; T330-F335 PolarHBondContact OG1-O 3.32Å; T330-G337 PolarHBondContact N-O 2.81Å; T330-G337 PolarHBondContact OG1-N 2.8Å; T330-G337 PolarHBondContact OG1-O 3Å | ||
| 331 | S | 86.3 | Confident | 92.1 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -76.7 | -8 | 172.4 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | E307 | E307-S331 WeakPolarHBondContact CG-OG 3.47Å; E307-S331 PolarHBondContact OE1-OG 3.48Å |
| 332 | S | 80.6 | Confident | 92.2 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | trans | -79.6 | 130.2 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | T330 I334 F335 | T330-S332 PolarHBondContact O-N 3.32Å; S332-I334 PolarHBondContact O-N 2.74Å; S332-I334 PolarHBondContact OG-N 3.01Å; S332-F335 PolarHBondContact OG-N 3.01Å | ||
| 333 | N | 71.5 | Confident | 92.3 | Very high | 164 Ų | 164 | 35.3 Ų | 35.3 | 88% | 0.877 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -75.2 | -13.6 | 172 | -66.7 | -30.2 | 0 | 0 | 0 | 113.3 | ||
| 334 | I | 77.7 | Confident | 92.3 | Very high | 147 Ų | 147 | 34.6 Ų | 34.6 | 75% | 0.754 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -95.2 | -41.9 | -177.7 | -56.7 | 172.2 | 0 | 0 | 0 | 110.1 | S332 | S332-I334 PolarHBondContact O-N 2.74Å; S332-I334 PolarHBondContact OG-N 3.01Å |
| 335 | F | 80.9 | Confident | 92.2 | Very high | 152 Ų | 152 | 34.5 Ų | 34.5 | 67% | 0.667 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -102.3 | 102 | 179.4 | -62.2 | -70.4 | 0 | 0 | 0 | 109.4 | T330 S332 G337 | T330-F335 WeakPolarHBondContact CB-O 3.35Å; T330-F335 PolarHBondContact OG1-O 3.32Å; S332-F335 PolarHBondContact OG-N 3.01Å; F335-G337 PolarHBondContact O-N 3.2Å |
| 336 | K | 86.8 | Confident | 92.1 | Very high | 87 Ų | 87 | 37.8 Ų | 37.8 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | trans | -79.5 | 103.3 | 172.7 | -67 | -171.5 | 179.7 | -166.4 | 0 | 109.4 | D428 Q430 | K336-D428 PolarHBondContact NZ-O 2.71Å; K336-Q430 HydrophobicContact CB-CG 4.19Å; K336-Q430 HydrophobicContact CD-CG 4.41Å; K336-Q430 HydrophobicContact CG-CG 4.41Å | ||
| 337 | G | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -121.3 | 144.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T329 T330 F335 K424 | T329-G337 CarbonylContact C-O 3.58Å; T329-G337 WeakPolarHBondContact CA-O 3.19Å; T329-G337 WeakPolarHBondContact CB-O 3.12Å; T330-G337 PolarHBondContact N-O 2.81Å; T330-G337 PolarHBondContact OG1-N 2.8Å; T330-G337 PolarHBondContact OG1-O 3Å; F335-G337 PolarHBondContact O-N 3.2Å; G337-K424 CarbonylContact C-O 3.53Å; G337-K424 VanDerWaalsContact CA-O 3.31Å; G337-K424 WeakPolarHBondContact CA-O 3.45Å | ||
| 338 | S | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.4 | 170.1 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | F328 I423 K424 Q430 F431 | F328-S338 CarbonylContact O-C 3.58Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.36Å; S338-I423 CarbonylContact O-C 3.51Å; S338-I423 WeakPolarHBondContact O-CA 3.36Å; S338-K424 PolarHBondContact N-O 2.99Å; S338-K424 PolarHBondContact O-N 3.19Å; S338-Q430 WeakPolarHBondContact OG-CA 3.26Å; S338-F431 VanDerWaalsContact CB-CD2 3.4Å; S338-F431 VanDerWaalsContact CB-CG 3.42Å; S338-F431 PolarHBondContact OG-N 3.19Å |
| 339 | A | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F305 F328 P420 M422 I423 | F305-A339 HydrophobicContact CB-CB 4.25Å; F305-A339 HydrophobicContact CD1-CB 3.77Å; F305-A339 HydrophobicContact CD2-CB 3.76Å; F305-A339 HydrophobicContact CE1-CB 3.99Å; F305-A339 HydrophobicContact CE2-CB 4Å; F305-A339 HydrophobicContact CG-CB 3.66Å; F305-A339 HydrophobicContact CZ-CB 4.11Å; F328-A339 PolarHBondContact N-O 3.38Å; F328-A339 PolarHBondContact O-N 2.63Å; A339-P420 HydrophobicContact CB-CB 4.16Å; A339-P420 HydrophobicContact CB-CG 4.37Å; A339-M422 CarbonylContact C-O 3.49Å; A339-M422 WeakPolarHBondContact CA-O 3.48Å; A339-I423 HydrophobicContact CB-CG1 4.41Å |
| 340 | V | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.3 | 168.1 | -174.7 | 0 | 0 | 0 | 0 | 108 | Y325 G326 V327 P420 I421 M422 F431 I434 M449 I451 | Y325-V340 HydrophobicContact CD1-CG1 4.37Å; G326-V340 WeakPolarHBondContact O-CA 3.48Å; V327-V340 HydrophobicContact CG2-CG2 4.41Å; V340-P420 CarbonylContact O-C 3.5Å; V340-P420 WeakPolarHBondContact O-CA 3.14Å; V340-P420 WeakPolarHBondContact O-CB 3.35Å; V340-I421 HydrophobicContact CB-CD1 4.34Å; V340-I421 HydrophobicContact CB-CG1 3.9Å; V340-I421 HydrophobicContact CG1-CD1 3.78Å; V340-I421 HydrophobicContact CG1-CG1 3.81Å; V340-I421 VanDerWaalsContact O-CG1 3.25Å; V340-I421 WeakPolarHBondContact O-CG1 3.47Å; V340-I421 PolarHBondContact O-N 3.14Å; V340-M422 HydrophobicContact CB-CB 4.27Å; V340-M422 HydrophobicContact CG2-CB 4.38Å; V340-M422 PolarHBondContact N-O 3.35Å; V340-M422 PolarHBondContact O-N 3.49Å; V340-F431 HydrophobicContact CG2-CD2 4.02Å; V340-F431 HydrophobicContact CG2-CE2 4.02Å; V340-I434 HydrophobicContact CG1-CD1 3.78Å; V340-I434 HydrophobicContact CG2-CD1 4.35Å; V340-M449 HydrophobicContact CG1-SD 4.21Å; V340-I451 HydrophobicContact CG2-CD1 3.88Å |
| 341 | C | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.6 | 177.1 | -83.6 | 0 | 0 | 0 | 0 | 109.9 | C293 G326 F328 Y343 P415 P420 | C293-C341 WeakPolarHBondContact CA-SG 3.2Å; C293-C341 HydrophobicContact CB-CB 3.87Å; C293-C341 WeakPolarHBondContact CB-SG 2.99Å; C293-C341 WeakPolarHBondContact SG-CB 3.19Å; C293-C341 CovalentContact SG-SG 2.05Å; C293-C341 PolarHBondContact SG-SG 2.9Å; G326-C341 PolarHBondContact N-O 3.39Å; G326-C341 PolarHBondContact O-N 3.37Å; F328-C341 HydrophobicContact CD2-CB 4.21Å; F328-C341 HydrophobicContact CE2-CB 3.87Å; C341-Y343 HydrophobicContact CB-CE2 3.84Å; C341-P415 HydrophobicContact CB-CB 3.94Å; C341-P420 VanDerWaalsContact SG-CA 3.58Å |
| 342 | T | 97 | Very high | 92.9 | Very high | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142 | 175.6 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | I323 V324 Y325 P415 I416 I421 | I323-T342 HydrophobicContact CG2-CG2 4.34Å; V324-T342 CarbonylContact O-C 3.56Å; V324-T342 WeakPolarHBondContact O-CA 3.37Å; Y325-T342 HydrophobicContact CD1-CG2 3.5Å; Y325-T342 VanDerWaalsContact CD1-CG2 3.5Å; Y325-T342 HydrophobicContact CD2-CG2 4.32Å; Y325-T342 HydrophobicContact CE1-CG2 3.42Å; Y325-T342 VanDerWaalsContact CE1-CG2 3.42Å; Y325-T342 HydrophobicContact CE2-CG2 4.23Å; Y325-T342 HydrophobicContact CG-CG2 3.95Å; T342-P415 CarbonylContact O-C 3.43Å; T342-P415 WeakPolarHBondContact O-CA 3.34Å; T342-P415 WeakPolarHBondContact O-CB 3.45Å; T342-I416 PolarHBondContact O-N 3.21Å; T342-I421 HydrophobicContact CG2-CD1 3.75Å; T342-I421 HydrophobicContact CG2-CG1 4.33Å; T342-I421 HydrophobicContact CG2-CG2 4.15Å |
| 343 | Y | 98 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.3 | -179.5 | -50.5 | -93.8 | 0 | 0 | 0 | 111.1 | L291 I292 V324 F328 C341 V413 F414 P415 | L291-Y343 HydrophobicContact CB-CE1 4.46Å; L291-Y343 HydrophobicContact CD2-CD1 3.86Å; L291-Y343 HydrophobicContact CD2-CD2 4.26Å; L291-Y343 HydrophobicContact CD2-CE1 3.79Å; L291-Y343 HydrophobicContact CD2-CE2 4.21Å; L291-Y343 HydrophobicContact CD2-CG 4.09Å; I292-Y343 WeakPolarHBondContact O-CE1 3.26Å; I292-Y343 PolarHBondContact O-OH 2.8Å; V324-Y343 HydrophobicContact CB-CD2 4.46Å; V324-Y343 HydrophobicContact CG1-CD2 4.46Å; V324-Y343 PolarHBondContact N-O 3.29Å; V324-Y343 PolarHBondContact O-N 2.97Å; F328-Y343 AromaticContact CE2-CE2 3.88Å; F328-Y343 HydrophobicContact CE2-CE2 3.88Å; F328-Y343 WeakPolarHBondContact CE2-OH 3.39Å; F328-Y343 AromaticContact CZ-CE2 3.83Å; F328-Y343 HydrophobicContact CZ-CE2 3.83Å; F328-Y343 AromaticContact CZ-CZ 3.87Å; F328-Y343 WeakPolarHBondContact CZ-OH 3.39Å; C341-Y343 HydrophobicContact CB-CE2 3.84Å; Y343-V413 HydrophobicContact CD1-CG1 3.89Å; Y343-F414 WeakPolarHBondContact CD1-O 3.22Å; Y343-P415 HydrophobicContact CD1-CB 4.24Å; Y343-P415 HydrophobicContact CE1-CB 3.92Å |
| 344 | S | 96.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135 | 175.3 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | T346 D347 V348 | S344-T346 PolarHBondContact O-N 2.95Å; S344-T346 WeakPolarHBondContact OG-CB 3.23Å; S344-T346 PolarHBondContact OG-N 3.36Å; S344-T346 VanDerWaalsContact OG-N 3.16Å; S344-D347 PolarHBondContact O-N 3.1Å; S344-D347 VanDerWaalsContact O-N 3.12Å; S344-V348 WeakPolarHBondContact O-CG2 3.33Å; S344-V348 PolarHBondContact O-N 2.9Å; S344-V348 VanDerWaalsContact O-N 3.13Å |
| 345 | M | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -24.1 | 173.5 | -71.4 | -53.9 | -60 | 0 | 0 | 113.1 | I232 Y244 P322 V324 V348 R349 | I232-M345 HydrophobicContact CD1-CE 3.76Å; I232-M345 HydrophobicContact CD1-CG 4.38Å; I232-M345 HydrophobicContact CD1-SD 3.76Å; I232-M345 HydrophobicContact CG2-CE 4.32Å; Y244-M345 HydrophobicContact CD1-CE 4.27Å; Y244-M345 HydrophobicContact CD2-CE 4.31Å; Y244-M345 HydrophobicContact CE1-CE 3.75Å; Y244-M345 HydrophobicContact CE2-CE 3.81Å; Y244-M345 VanDerWaalsContact CZ-CE 3.47Å; P322-M345 HydrophobicContact CG-CG 3.9Å; P322-M345 WeakPolarHBondContact O-CG 3.39Å; V324-M345 HydrophobicContact CG2-SD 3.87Å; M345-V348 HydrophobicContact CE-CB 4.25Å; M345-V348 HydrophobicContact CE-CG1 3.95Å; M345-V348 PolarHBondContact O-N 3.02Å; M345-V348 HydrophobicContact SD-CB 4.32Å; M345-V348 HydrophobicContact SD-CG1 4.44Å; M345-V348 HydrophobicContact SD-CG2 4.2Å; M345-R349 WeakPolarHBondContact O-CB 3.45Å; M345-R349 VanDerWaalsContact O-CG 3.27Å; M345-R349 WeakPolarHBondContact O-CG 3.38Å; M345-R349 PolarHBondContact O-N 3.46Å |
| 346 | T | 96.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 31.2 Ų | 31.2 | 47% | 0.466 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 172.6 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | S344 R350 | S344-T346 PolarHBondContact O-N 2.95Å; S344-T346 WeakPolarHBondContact OG-CB 3.23Å; S344-T346 PolarHBondContact OG-N 3.36Å; S344-T346 VanDerWaalsContact OG-N 3.16Å; T346-R350 WeakPolarHBondContact O-CB 3.42Å; T346-R350 PolarHBondContact O-N 2.89Å |
| 347 | D | 97.5 | Very high | 97 | Very high | 49 Ų | 49 | 27.5 Ų | 27.5 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -76 | -35.9 | -179.9 | -65.1 | -34 | 0 | 0 | 0 | 111.7 | S344 R349 R350 V351 | S344-D347 PolarHBondContact O-N 3.1Å; S344-D347 VanDerWaalsContact O-N 3.12Å; D347-R349 PolarHBondContact O-N 2.92Å; D347-R350 WeakPolarHBondContact O-CB 3.26Å; D347-R350 PolarHBondContact O-N 3.06Å; D347-R350 IonicContact OD1-CZ 2.7Å; D347-R350 IonicContact OD1-NE 3.66Å; D347-R350 IonicContact OD1-NH2 2.76Å; D347-R350 PolarHBondContact OD1-NH2 2.91Å; D347-V351 WeakPolarHBondContact O-CG2 3.36Å; D347-V351 PolarHBondContact O-N 3.33Å |
| 348 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.1 | -50.8 | 170 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Y244 I265 S344 M345 R350 V351 F352 V413 | Y244-V348 HydrophobicContact CE1-CG1 3.98Å; I265-V348 HydrophobicContact CD1-CG1 3.76Å; I265-V348 HydrophobicContact CD1-CG2 4.13Å; S344-V348 WeakPolarHBondContact O-CG2 3.33Å; S344-V348 PolarHBondContact O-N 2.9Å; S344-V348 VanDerWaalsContact O-N 3.13Å; M345-V348 HydrophobicContact CE-CB 4.25Å; M345-V348 HydrophobicContact CE-CG1 3.95Å; M345-V348 PolarHBondContact O-N 3.02Å; M345-V348 HydrophobicContact SD-CB 4.32Å; M345-V348 HydrophobicContact SD-CG1 4.44Å; M345-V348 HydrophobicContact SD-CG2 4.2Å; V348-R350 PolarHBondContact O-N 3.4Å; V348-V351 PolarHBondContact O-N 3.28Å; V348-F352 HydrophobicContact CG1-CD2 3.74Å; V348-F352 HydrophobicContact CG1-CE2 3.5Å; V348-F352 VanDerWaalsContact CG1-CE2 3.5Å; V348-F352 VanDerWaalsContact O-CD2 3.26Å; V348-F352 WeakPolarHBondContact O-CD2 3.3Å; V348-F352 PolarHBondContact O-N 3Å; V348-F352 VanDerWaalsContact O-N 3.08Å; V348-V413 HydrophobicContact CG2-CG1 3.88Å; V348-V413 HydrophobicContact CG2-CG2 4.44Å |
| 349 | R | 97.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.8 | -72.9 | 172.1 | -176.4 | 121.3 | 4.5 | 112.2 | P233 E234 K320 N321 M345 D347 V351 F352 L353 | P233-R349 PolarHBondContact O-NH2 3Å; E234-R349 IonicContact OE1-CZ 3.62Å; E234-R349 VanDerWaalsContact OE1-CZ 3.29Å; E234-R349 IonicContact OE1-NE 2.83Å; E234-R349 PolarHBondContact OE1-NE 3.35Å; E234-R349 IonicContact OE1-NH2 3Å; E234-R349 PolarHBondContact OE1-NH2 3.34Å; E234-R349 IonicContact OE2-NE 3.6Å; K320-R349 VanDerWaalsContact O-CZ 3.22Å; K320-R349 PolarHBondContact O-NH1 3.4Å; K320-R349 PolarHBondContact O-NH2 2.75Å; N321-R349 PolarHBondContact OD1-NH1 2.61Å; M345-R349 WeakPolarHBondContact O-CB 3.45Å; M345-R349 VanDerWaalsContact O-CG 3.27Å; M345-R349 WeakPolarHBondContact O-CG 3.38Å; M345-R349 PolarHBondContact O-N 3.46Å; D347-R349 PolarHBondContact O-N 2.92Å; R349-V351 PolarHBondContact O-N 3.21Å; R349-F352 PolarHBondContact O-N 3.15Å; R349-L353 WeakPolarHBondContact O-CB 3.48Å; R349-L353 WeakPolarHBondContact O-CG 3.28Å; R349-L353 PolarHBondContact O-N 3.17Å |
| 350 | R | 97.8 | Very high | 94.9 | Very high | 166 Ų | 166 | 38.4 Ų | 38.4 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -55.5 | -40.8 | 176.3 | -168.4 | -166 | -48.8 | -153.9 | 9.9 | 111.5 | T346 D347 V348 L353 G354 | T346-R350 WeakPolarHBondContact O-CB 3.42Å; T346-R350 PolarHBondContact O-N 2.89Å; D347-R350 WeakPolarHBondContact O-CB 3.26Å; D347-R350 PolarHBondContact O-N 3.06Å; D347-R350 IonicContact OD1-CZ 2.7Å; D347-R350 IonicContact OD1-NE 3.66Å; D347-R350 IonicContact OD1-NH2 2.76Å; D347-R350 PolarHBondContact OD1-NH2 2.91Å; V348-R350 PolarHBondContact O-N 3.4Å; R350-L353 CarbonylContact O-C 3.53Å; R350-L353 PolarHBondContact O-N 3.29Å; R350-G354 PolarHBondContact O-N 3.48Å |
| 351 | V | 98.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 177.6 | 168.3 | 0 | 0 | 0 | 0 | 112 | A289 D347 V348 R349 L353 G354 M409 N411 P412 V413 | A289-V351 HydrophobicContact CB-CG1 3.63Å; D347-V351 WeakPolarHBondContact O-CG2 3.36Å; D347-V351 PolarHBondContact O-N 3.33Å; V348-V351 PolarHBondContact O-N 3.28Å; R349-V351 PolarHBondContact O-N 3.21Å; V351-L353 PolarHBondContact O-N 3.02Å; V351-G354 WeakPolarHBondContact O-CA 3.37Å; V351-G354 PolarHBondContact O-N 3.48Å; V351-M409 HydrophobicContact CG1-CB 4.08Å; V351-M409 HydrophobicContact CG1-CG 4.45Å; V351-M409 WeakPolarHBondContact O-CE 3.38Å; V351-N411 WeakPolarHBondContact CG1-O 3.49Å; V351-N411 HydrophobicContact CG2-CB 4.46Å; V351-P412 WeakPolarHBondContact CG2-O 3.24Å; V351-V413 HydrophobicContact CB-CG2 3.91Å; V351-V413 HydrophobicContact CG1-CG2 3.96Å; V351-V413 HydrophobicContact CG2-CG2 3.87Å |
| 352 | F | 98.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -24.4 | 175.2 | -72.9 | -59.2 | 0 | 0 | 0 | 113.4 | Y244 I265 Q267 L287 A289 V348 R349 G354 R377 M409 | Y244-F352 HydrophobicContact CD1-CE2 4.47Å; Y244-F352 HydrophobicContact CE1-CD2 4.45Å; Y244-F352 AromaticContact CE1-CE2 3.96Å; Y244-F352 HydrophobicContact CE1-CE2 3.96Å; I265-F352 HydrophobicContact CG2-CE2 4.39Å; I265-F352 HydrophobicContact CG2-CZ 4.16Å; Q267-F352 HydrophobicContact CB-CE1 4.49Å; Q267-F352 HydrophobicContact CB-CE2 4.11Å; Q267-F352 HydrophobicContact CB-CZ 4.09Å; Q267-F352 HydrophobicContact CG-CD1 3.81Å; Q267-F352 HydrophobicContact CG-CD2 4.12Å; Q267-F352 HydrophobicContact CG-CE1 3.71Å; Q267-F352 HydrophobicContact CG-CE2 3.99Å; Q267-F352 HydrophobicContact CG-CG 4.04Å; Q267-F352 HydrophobicContact CG-CZ 3.79Å; Q267-F352 VanDerWaalsContact OE1-CG 3.31Å; L287-F352 HydrophobicContact CB-CD1 3.83Å; L287-F352 HydrophobicContact CB-CE1 3.85Å; L287-F352 HydrophobicContact CD1-CD1 4.31Å; A289-F352 HydrophobicContact CB-CE1 4.15Å; A289-F352 HydrophobicContact CB-CZ 4.26Å; V348-F352 HydrophobicContact CG1-CD2 3.74Å; V348-F352 HydrophobicContact CG1-CE2 3.5Å; V348-F352 VanDerWaalsContact CG1-CE2 3.5Å; V348-F352 VanDerWaalsContact O-CD2 3.26Å; V348-F352 WeakPolarHBondContact O-CD2 3.3Å; V348-F352 PolarHBondContact O-N 3Å; V348-F352 VanDerWaalsContact O-N 3.08Å; R349-F352 PolarHBondContact O-N 3.15Å; F352-G354 VanDerWaalsContact C-N 3.33Å; F352-R377 PolarHBondContact O-NH2 2.69Å; F352-M409 HydrophobicContact CD1-CG 3.7Å; F352-M409 HydrophobicContact CD1-SD 4.31Å; F352-M409 HydrophobicContact CE1-CG 4.12Å; F352-M409 WeakPolarHBondContact O-CE 3.24Å |
| 353 | L | 96.6 | Very high | 90.6 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -1.7 | 169.1 | -63.4 | 173.9 | 0 | 0 | 0 | 113.3 | R349 R350 V351 R377 | R349-L353 WeakPolarHBondContact O-CB 3.48Å; R349-L353 WeakPolarHBondContact O-CG 3.28Å; R349-L353 PolarHBondContact O-N 3.17Å; R350-L353 CarbonylContact O-C 3.53Å; R350-L353 PolarHBondContact O-N 3.29Å; V351-L353 PolarHBondContact O-N 3.02Å; L353-R377 PolarHBondContact O-NH1 3.44Å; L353-R377 PolarHBondContact O-NH2 2.96Å |
| 354 | G | 97.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.2 | -171.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R350 V351 F352 R377 M409 | R350-G354 PolarHBondContact O-N 3.48Å; V351-G354 WeakPolarHBondContact O-CA 3.37Å; V351-G354 PolarHBondContact O-N 3.48Å; F352-G354 VanDerWaalsContact C-N 3.33Å; G354-R377 PolarHBondContact O-NH2 3.49Å; G354-M409 WeakPolarHBondContact O-CE 3.16Å |
| 355 | P | 97.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 141 | 179.8 | 26.3 | -32.6 | 0 | 0 | 0 | 112.5 | P368 Y410 N411 | P355-P368 HydrophobicContact CB-CB 3.96Å; P355-P368 HydrophobicContact CG-CB 4.26Å; P355-Y410 HydrophobicContact CG-CD1 4.36Å; P355-Y410 WeakPolarHBondContact O-CB 3.49Å; P355-Y410 PolarHBondContact O-N 2.6Å; P355-N411 WeakPolarHBondContact CD-ND2 3.32Å |
| 356 | Y | 97.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 148.7 | 170 | -59.2 | -89.4 | 0 | 0 | 0 | 110.4 | L287 Y369 V373 R377 P378 F402 H406 M409 | L287-Y356 HydrophobicContact CD1-CE1 4.17Å; L287-Y356 HydrophobicContact CD2-CD1 4.23Å; L287-Y356 HydrophobicContact CD2-CE1 3.77Å; Y356-Y369 WeakPolarHBondContact O-CB 3.42Å; Y356-Y369 PolarHBondContact O-N 2.89Å; Y356-V373 HydrophobicContact CD2-CG2 4.12Å; Y356-V373 HydrophobicContact CE2-CG1 3.8Å; Y356-V373 HydrophobicContact CE2-CG2 4.02Å; Y356-R377 VanDerWaalsContact OH-CG 3.24Å; Y356-R377 WeakPolarHBondContact OH-CG 3.48Å; Y356-R377 PolarHBondContact OH-NE 2.78Å; Y356-P378 HydrophobicContact CE1-CB 4.44Å; Y356-P378 PolarHBondContact OH-O 2.97Å; Y356-F402 AromaticContact CD1-CE1 3.95Å; Y356-F402 HydrophobicContact CD1-CE1 3.95Å; Y356-F402 AromaticContact CD2-CE1 3.65Å; Y356-F402 HydrophobicContact CD2-CE1 3.65Å; Y356-F402 AromaticContact CD2-CZ 3.75Å; Y356-F402 HydrophobicContact CD2-CZ 3.75Å; Y356-F402 HydrophobicContact CE1-CE1 4.11Å; Y356-F402 AromaticContact CE2-CE1 3.83Å; Y356-F402 HydrophobicContact CE2-CE1 3.83Å; Y356-F402 HydrophobicContact CE2-CZ 4.21Å; Y356-F402 AromaticContact CG-CE1 3.72Å; Y356-F402 HydrophobicContact CG-CE1 3.72Å; Y356-F402 HydrophobicContact CG-CZ 4.03Å; Y356-H406 HydrophobicContact CD1-CB 4.31Å; Y356-H406 HydrophobicContact CG-CB 4.45Å; Y356-M409 HydrophobicContact CD1-CE 4.09Å; Y356-M409 HydrophobicContact CD1-SD 3.85Å; Y356-M409 HydrophobicContact CE1-CE 4.22Å; Y356-M409 HydrophobicContact CE1-SD 4.02Å; Y356-M409 HydrophobicContact CG-CE 4.41Å |
| 357 | A | 94.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | W366 A408 | A357-W366 HydrophobicContact CB-CE3 3.71Å; A357-W366 HydrophobicContact CB-CZ3 3.95Å; A357-A408 HydrophobicContact CB-CB 4.12Å; A357-A408 WeakPolarHBondContact CB-O 3.41Å; A357-A408 PolarHBondContact N-O 3.49Å |
| 358 | H | 89.2 | Confident | 87.8 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.7 | -176.6 | 179.7 | 76.2 | 0 | 0 | 0 | 110.7 | D360 V367 Y369 H406 | H358-D360 VanDerWaalsContact CE1-CG 3.48Å; H358-D360 IonicContact CE1-OD2 3.45Å; H358-D360 PolarHBondContact CE1-OD2 3.16Å; H358-D360 IonicContact ND1-OD2 2.64Å; H358-D360 WeakPolarHBondContact NE2-CB 3.45Å; H358-D360 IonicContact NE2-OD2 3.72Å; H358-V367 HydrophobicContact CB-CG2 4.44Å; H358-V367 PolarHBondContact N-O 2.96Å; H358-V367 WeakPolarHBondContact O-CG2 3.39Å; H358-V367 PolarHBondContact O-N 3.08Å; H358-Y369 HydrophobicContact CB-CD2 3.98Å; H358-Y369 HydrophobicContact CB-CG 4.48Å; H358-Y369 AromaticContact CG-CD2 3.8Å; H358-Y369 AromaticContact ND1-CD2 3.69Å; H358-H406 AromaticContact CE1-NE2 3.99Å; H358-H406 AromaticContact ND1-CD2 3.94Å; H358-H406 AromaticContact ND1-NE2 3.07Å; H358-H406 PolarHBondContact ND1-NE2 3.13Å |
| 359 | R | 81.2 | Confident | 87.6 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | trans | -143.6 | 56.6 | -173.6 | -164.5 | -170.9 | 171 | -178.2 | -7.5 | 112.1 | I252 Y364 W366 | I252-R359 PolarHBondContact O-NH1 3.12Å; R359-Y364 PolarHBondContact NE-O 2.79Å; R359-Y364 PolarHBondContact NH2-O 3.42Å; R359-W366 HydrophobicContact CB-CD2 4.18Å; R359-W366 HydrophobicContact CB-CE3 3.82Å; R359-W366 HydrophobicContact CB-CH2 4.28Å; R359-W366 HydrophobicContact CB-CZ3 3.88Å; R359-W366 HydrophobicContact CG-CD2 4.45Å | ||
| 360 | D | 71 | Confident | 87.3 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 68% | 0.684 | 37% | 0.369 | S | S | * | . | trans | -118.3 | 17.2 | 175.3 | -59.8 | -28.2 | 0 | 0 | 0 | 113.7 | H358 | H358-D360 VanDerWaalsContact CE1-CG 3.48Å; H358-D360 IonicContact CE1-OD2 3.45Å; H358-D360 PolarHBondContact CE1-OD2 3.16Å; H358-D360 IonicContact ND1-OD2 2.64Å; H358-D360 WeakPolarHBondContact NE2-CB 3.45Å; H358-D360 IonicContact NE2-OD2 3.72Å | ||
| 361 | G | 67.9 | Low | 87 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -84.9 | 162.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N363 Y364 | G361-N363 PolarHBondContact O-N 3.25Å; G361-N363 VanDerWaalsContact O-N 3.09Å; G361-Y364 PolarHBondContact O-N 2.93Å |
| 362 | P | 65.8 | Low | 86.8 | Confident | 123 Ų | 123 | 76.7 Ų | 76.7 | 80% | 0.799 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.8 | -176.6 | 23.2 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 363 | N | 69.4 | Low | 86.7 | Confident | 120 Ų | 120 | 79 Ų | 79 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.7 | 178.6 | -61.3 | -15.4 | 0 | 0 | 0 | 113 | G361 Q365 | G361-N363 PolarHBondContact O-N 3.25Å; G361-N363 VanDerWaalsContact O-N 3.09Å; N363-Q365 HydrophobicContact CB-CG 4.07Å; N363-Q365 PolarHBondContact O-N 2.66Å; N363-Q365 VanDerWaalsContact O-N 3.1Å |
| 364 | Y | 74.1 | Confident | 86.7 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 62% | 0.624 | 38% | 0.379 | S | S | * | . | trans | 48.3 | 36.8 | -175.6 | -67.1 | -88.1 | 0 | 0 | 0 | 113.8 | R359 G361 | R359-Y364 PolarHBondContact NE-O 2.79Å; R359-Y364 PolarHBondContact NH2-O 3.42Å; G361-Y364 PolarHBondContact O-N 2.93Å | ||
| 365 | Q | 81.8 | Confident | 86.5 | Confident | 125 Ų | 125 | 81 Ų | 81 | 58% | 0.584 | 40% | 0.403 | S | S | * | . | trans | -94.7 | 148.7 | 177.4 | -71.1 | 175.9 | -9.7 | 0 | 0 | 110.9 | N363 V367 | N363-Q365 HydrophobicContact CB-CG 4.07Å; N363-Q365 PolarHBondContact O-N 2.66Å; N363-Q365 VanDerWaalsContact O-N 3.1Å; Q365-V367 PolarHBondContact O-N 3.41Å | ||
| 366 | W | 84.9 | Confident | 86.3 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | trans | -70.5 | 121.7 | 172.1 | -70 | 108.7 | 0 | 0 | 0 | 110.4 | I252 A357 R359 | I252-W366 HydrophobicContact CB-CZ2 4.08Å; I252-W366 HydrophobicContact CD1-CZ2 4.49Å; I252-W366 HydrophobicContact CG2-CZ2 4.13Å; I252-W366 PolarHBondContact O-NE1 2.89Å; A357-W366 HydrophobicContact CB-CE3 3.71Å; A357-W366 HydrophobicContact CB-CZ3 3.95Å; R359-W366 HydrophobicContact CB-CD2 4.18Å; R359-W366 HydrophobicContact CB-CE3 3.82Å; R359-W366 HydrophobicContact CB-CH2 4.28Å; R359-W366 HydrophobicContact CB-CZ3 3.88Å; R359-W366 HydrophobicContact CG-CD2 4.45Å | ||
| 367 | V | 90.8 | Very high | 86.2 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.7 | 179 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | H358 Q365 Y369 Y410 | H358-V367 HydrophobicContact CB-CG2 4.44Å; H358-V367 PolarHBondContact N-O 2.96Å; H358-V367 WeakPolarHBondContact O-CG2 3.39Å; H358-V367 PolarHBondContact O-N 3.08Å; Q365-V367 PolarHBondContact O-N 3.41Å; V367-Y369 PolarHBondContact O-N 2.75Å; V367-Y410 VanDerWaalsContact C-CD2 3.46Å |
| 368 | P | 94.3 | Very high | 86.3 | Confident | 34 Ų | 34 | 82.4 Ų | 82.4 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.2 | 172.8 | 26.4 | -29.7 | 0 | 0 | 0 | 109.6 | P355 Q370 Y410 | P355-P368 HydrophobicContact CB-CB 3.96Å; P355-P368 HydrophobicContact CG-CB 4.26Å; P368-Q370 PolarHBondContact O-N 2.67Å; P368-Q370 PolarHBondContact O-NE2 2.81Å; P368-Q370 VanDerWaalsContact O-NE2 3.15Å; P368-Y410 HydrophobicContact CB-CD1 3.72Å; P368-Y410 HydrophobicContact CB-CD2 4.35Å; P368-Y410 HydrophobicContact CB-CE1 4.08Å; P368-Y410 HydrophobicContact CB-CG 3.86Å; P368-Y410 HydrophobicContact CG-CD1 4.18Å; P368-Y410 HydrophobicContact CG-CE1 4.02Å |
| 369 | Y | 94 | Very high | 86.5 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | trans | -59.7 | 119.5 | 176.2 | -175.9 | -103.7 | 0 | 0 | 0 | 110.8 | Y356 H358 V367 G371 V373 F402 H406 | Y356-Y369 WeakPolarHBondContact O-CB 3.42Å; Y356-Y369 PolarHBondContact O-N 2.89Å; H358-Y369 HydrophobicContact CB-CD2 3.98Å; H358-Y369 HydrophobicContact CB-CG 4.48Å; H358-Y369 AromaticContact CG-CD2 3.8Å; H358-Y369 AromaticContact ND1-CD2 3.69Å; V367-Y369 PolarHBondContact O-N 2.75Å; Y369-G371 WeakPolarHBondContact CE1-O 3.22Å; Y369-G371 VanDerWaalsContact CZ-CA 3.46Å; Y369-V373 HydrophobicContact CD1-CG2 4.17Å; Y369-V373 HydrophobicContact CE1-CG2 4.3Å; Y369-F402 AromaticContact CD1-CE2 3.99Å; Y369-F402 HydrophobicContact CD1-CE2 3.99Å; Y369-F402 AromaticContact CD1-CZ 3.92Å; Y369-F402 HydrophobicContact CD1-CZ 3.92Å; Y369-F402 AromaticContact CE1-CE2 3.49Å; Y369-F402 HydrophobicContact CE1-CE2 3.49Å; Y369-F402 VanDerWaalsContact CE1-CE2 3.49Å; Y369-F402 AromaticContact CE1-CZ 3.91Å; Y369-F402 HydrophobicContact CE1-CZ 3.91Å; Y369-F402 HydrophobicContact CE2-CE2 4.28Å; Y369-F402 HydrophobicContact CG-CZ 4.38Å; Y369-F402 AromaticContact CZ-CE2 3.66Å; Y369-H406 AromaticContact CD2-NE2 3.75Å; Y369-H406 AromaticContact CE2-NE2 3.98Å | ||
| 370 | Q | 91.4 | Very high | 87.1 | Confident | 162 Ų | 162 | 80.8 Ų | 80.8 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | trans | -100.1 | -5.9 | -179.2 | -61.5 | -57.3 | -53.8 | 0 | 0 | 113.6 | P368 | P368-Q370 PolarHBondContact O-N 2.67Å; P368-Q370 PolarHBondContact O-NE2 2.81Å; P368-Q370 VanDerWaalsContact O-NE2 3.15Å | ||
| 371 | G | 91.3 | Very high | 88.2 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -76.3 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y369 V373 | Y369-G371 WeakPolarHBondContact CE1-O 3.22Å; Y369-G371 VanDerWaalsContact CZ-CA 3.46Å; G371-V373 PolarHBondContact O-N 2.89Å |
| 372 | R | 94.4 | Very high | 89.3 | Confident | 206 Ų | 206 | 74.1 Ų | 74.1 | 78% | 0.777 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 121.8 | 176.1 | -176.4 | -178.6 | 178.1 | -174.3 | -1.7 | 110.2 | ||
| 373 | V | 96.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 130 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | Y356 Y369 G371 R377 F402 | Y356-V373 HydrophobicContact CD2-CG2 4.12Å; Y356-V373 HydrophobicContact CE2-CG1 3.8Å; Y356-V373 HydrophobicContact CE2-CG2 4.02Å; Y369-V373 HydrophobicContact CD1-CG2 4.17Å; Y369-V373 HydrophobicContact CE1-CG2 4.3Å; G371-V373 PolarHBondContact O-N 2.89Å; V373-R377 HydrophobicContact CG1-CG 4.3Å; V373-F402 HydrophobicContact CG2-CZ 4.35Å |
| 374 | P | 96.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 162.6 | -179.1 | 30.2 | -36 | 0 | 0 | 0 | 112.3 | P376 P378 E398 V399 F402 | P374-P376 CarbonylContact O-C 3.51Å; P374-P378 HydrophobicContact CG-CG 3.96Å; P374-E398 HydrophobicContact CB-CB 4.43Å; P374-E398 HydrophobicContact CB-CG 3.9Å; P374-E398 HydrophobicContact CG-CG 4.47Å; P374-V399 HydrophobicContact CB-CG2 3.89Å; P374-V399 HydrophobicContact CG-CG2 4.19Å; P374-F402 HydrophobicContact CG-CB 3.7Å; P374-F402 HydrophobicContact CG-CD2 4.13Å; P374-F402 HydrophobicContact CG-CG 3.91Å |
| 375 | Y | 93.1 | Very high | 90 | Very high | 169 Ų | 169 | 66.8 Ų | 66.8 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -114.3 | 137.6 | 177.8 | -176.8 | -88.8 | 0 | 0 | 0 | 111.2 | V399 | Y375-V399 WeakPolarHBondContact O-CG2 3.43Š|
| 376 | P | 93.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | S | Bend | cis | -66.5 | 157.4 | -4.8 | 30.7 | -36.7 | 0 | 0 | 0 | 110.9 | P374 P378 F389 L395 V399 | P374-P376 CarbonylContact O-C 3.51Å; P376-P378 WeakPolarHBondContact O-CD 3.12Å; P376-F389 HydrophobicContact CB-CE2 4.44Å; P376-F389 VanDerWaalsContact CD-CE2 3.43Å; P376-F389 HydrophobicContact CG-CD2 3.84Å; P376-F389 HydrophobicContact CG-CE2 3.65Å; P376-L395 HydrophobicContact CG-CD2 3.43Å; P376-L395 VanDerWaalsContact CG-CD2 3.43Å; P376-V399 WeakPolarHBondContact O-CG2 3.28Å |
| 377 | R | 95 | Very high | 88.1 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 126.6 | -173.3 | 177.9 | 175.2 | 177.9 | 145.3 | 1.8 | 110.6 | F352 L353 G354 Y356 V373 G379 T380 | F352-R377 PolarHBondContact O-NH2 2.69Å; L353-R377 PolarHBondContact O-NH1 3.44Å; L353-R377 PolarHBondContact O-NH2 2.96Å; G354-R377 PolarHBondContact O-NH2 3.49Å; Y356-R377 VanDerWaalsContact OH-CG 3.24Å; Y356-R377 WeakPolarHBondContact OH-CG 3.48Å; Y356-R377 PolarHBondContact OH-NE 2.78Å; V373-R377 HydrophobicContact CG1-CG 4.3Å; R377-G379 PolarHBondContact O-N 2.86Å; R377-T380 VanDerWaalsContact O-CB 3.23Å; R377-T380 WeakPolarHBondContact O-CB 3.48Å; R377-T380 PolarHBondContact O-N 3.11Å; R377-T380 PolarHBondContact O-OG1 3.41Å |
| 378 | P | 96.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 129.4 | 176.6 | -30.2 | 36.7 | 0 | 0 | 0 | 113 | Y356 P374 P376 V399 F402 A403 | Y356-P378 HydrophobicContact CE1-CB 4.44Å; Y356-P378 PolarHBondContact OH-O 2.97Å; P374-P378 HydrophobicContact CG-CG 3.96Å; P376-P378 WeakPolarHBondContact O-CD 3.12Å; P378-V399 HydrophobicContact CG-CG1 4.12Å; P378-F402 HydrophobicContact CB-CD1 4.04Å; P378-F402 HydrophobicContact CG-CB 4.18Å; P378-F402 HydrophobicContact CG-CD1 3.51Å; P378-F402 HydrophobicContact CG-CE1 4.2Å; P378-F402 HydrophobicContact CG-CG 4.08Å; P378-A403 HydrophobicContact CB-CB 4.17Å |
| 379 | G | 94 | Very high | 86.9 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -0.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q267 R377 | Q267-G379 PolarHBondContact NE2-O 2.88Å; R377-G379 PolarHBondContact O-N 2.86Å |
| 380 | T | 92.9 | Very high | 86.6 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 138.5 | 169.1 | -50.8 | 0 | 0 | 0 | 0 | 109.8 | R377 | R377-T380 VanDerWaalsContact O-CB 3.23Å; R377-T380 WeakPolarHBondContact O-CB 3.48Å; R377-T380 PolarHBondContact O-N 3.11Å; R377-T380 PolarHBondContact O-OG1 3.41Å |
| 381 | C | 93.8 | Very high | 86.6 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.054 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 138.6 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | E239 C269 S383 | E239-C381 WeakPolarHBondContact O-CB 3.42Å; C269-C381 HydrophobicContact CB-CB 3.69Å; C269-C381 WeakPolarHBondContact CB-SG 3.39Å; C269-C381 WeakPolarHBondContact SG-CA 3.41Å; C269-C381 WeakPolarHBondContact SG-CB 3.38Å; C269-C381 PolarHBondContact SG-N 3.48Å; C269-C381 CovalentContact SG-SG 2.04Å; C269-C381 PolarHBondContact SG-SG 2.82Å; C381-S383 PolarHBondContact O-N 3.14Å |
| 382 | P | 91.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 125.4 | 169.2 | -17.4 | 28.2 | 0 | 0 | 0 | 109.4 | N271 F389 T392 | N271-P382 PolarHBondContact ND2-O 3.39Å; P382-F389 WeakPolarHBondContact CB-O 3.45Å; P382-T392 HydrophobicContact CG-CG2 3.39Å |
| 383 | S | 83.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -144 | 147.5 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | N237 E239 D240 C381 T385 F386 F389 | N237-S383 PolarHBondContact ND2-OG 2.8Å; E239-S383 VanDerWaalsContact OE2-CA 3.3Å; E239-S383 WeakPolarHBondContact OE2-CA 3.44Å; E239-S383 PolarHBondContact OE2-OG 2.92Å; D240-S383 WeakPolarHBondContact OD1-CB 3.24Å; C381-S383 PolarHBondContact O-N 3.14Å; S383-T385 PolarHBondContact O-N 3.37Å; S383-T385 PolarHBondContact OG-N 2.78Å; S383-F386 CarbonylContact O-C 3.56Å; S383-F389 PolarHBondContact N-O 2.87Å |
| 384 | K | 71.4 | Confident | 86.6 | Confident | 156 Ų | 156 | 58 Ų | 58 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | 172.3 | -65.7 | 177.3 | -176.3 | 173.1 | 0 | 112.9 | E239 | E239-K384 PolarHBondContact OE2-N 2.84Š|
| 385 | T | 68.1 | Low | 86.5 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -34 | -176.8 | -43 | 0 | 0 | 0 | 0 | 111.5 | S383 | S383-T385 PolarHBondContact O-N 3.37Å; S383-T385 PolarHBondContact OG-N 2.78Å |
| 386 | F | 63.8 | Low | 86.6 | Confident | 144 Ų | 144 | 53.1 Ų | 53.1 | 63% | 0.632 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 131.7 | -177.4 | -61.6 | -78.3 | 0 | 0 | 0 | 111.1 | S383 | S383-F386 CarbonylContact O-C 3.56Š|
| 387 | G | 62.5 | Low | 86.7 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | 102.7 | -27.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F389 | G387-F389 VanDerWaalsContact C-N 3.34Å; G387-F389 WeakPolarHBondContact O-CD2 3.34Å; G387-F389 WeakPolarHBondContact O-CE2 3.29Å; G387-F389 PolarHBondContact O-N 3.06Å |
| 388 | G | 76.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 73.9 | 18.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 389 | F | 85.4 | Confident | 86.7 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | trans | -122.9 | 133.6 | 175.9 | -60.4 | -87.4 | 0 | 0 | 0 | 109.8 | P376 P382 S383 G387 D394 L395 P396 | P376-F389 HydrophobicContact CB-CE2 4.44Å; P376-F389 VanDerWaalsContact CD-CE2 3.43Å; P376-F389 HydrophobicContact CG-CD2 3.84Å; P376-F389 HydrophobicContact CG-CE2 3.65Å; P382-F389 WeakPolarHBondContact CB-O 3.45Å; S383-F389 PolarHBondContact N-O 2.87Å; G387-F389 VanDerWaalsContact C-N 3.34Å; G387-F389 WeakPolarHBondContact O-CD2 3.34Å; G387-F389 WeakPolarHBondContact O-CE2 3.29Å; G387-F389 PolarHBondContact O-N 3.06Å; F389-D394 HydrophobicContact CD1-CB 3.87Å; F389-D394 WeakPolarHBondContact CD1-O 3.44Å; F389-D394 VanDerWaalsContact CE1-O 3.29Å; F389-D394 WeakPolarHBondContact CE1-O 3.32Å; F389-L395 HydrophobicContact CD2-CD2 4.19Å; F389-L395 HydrophobicContact CG-CD2 4.24Å; F389-P396 HydrophobicContact CZ-CG 4.32Å | ||
| 390 | D | 86.9 | Confident | 86.8 | Confident | 124 Ų | 124 | 58.4 Ų | 58.4 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -81.7 | -22.3 | 177.8 | -69.7 | -46.3 | 0 | 0 | 0 | 112.4 | ||
| 391 | S | 92.3 | Very high | 87 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -145.9 | 154.7 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | K393 D394 | S391-K393 PolarHBondContact O-N 2.89Å; S391-K393 PolarHBondContact OG-N 2.85Å; S391-D394 WeakPolarHBondContact CB-OD2 3.43Å; S391-D394 PolarHBondContact N-OD2 3.27Å; S391-D394 PolarHBondContact O-N 2.56Å; S391-D394 VanDerWaalsContact O-N 3.09Å |
| 392 | T | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -62.7 | -21 | 170.4 | 55.3 | 0 | 0 | 0 | 0 | 113 | D272 F273 G274 T284 T285 P382 D394 L395 | D272-T392 HydrophobicContact CB-CG2 4.13Å; D272-T392 PolarHBondContact OD1-OG1 2.78Å; F273-T392 PolarHBondContact N-OG1 2.91Å; G274-T392 PolarHBondContact N-OG1 3.34Å; G274-T392 CarbonylContact O-C 3.48Å; G274-T392 PolarHBondContact O-OG1 2.8Å; T284-T392 WeakPolarHBondContact OG1-CB 3.37Å; T284-T392 WeakPolarHBondContact OG1-CG2 3.26Å; T285-T392 HydrophobicContact CG2-CG2 4.15Å; P382-T392 HydrophobicContact CG-CG2 3.39Å; T392-D394 PolarHBondContact O-N 2.71Å; T392-L395 HydrophobicContact CG2-CD1 4.21Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 WeakPolarHBondContact O-CG 3.11Å; T392-L395 PolarHBondContact O-N 2.98Å |
| 393 | K | 94.3 | Very high | 87.4 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -68.6 | -22.3 | 175.5 | -69 | -176.3 | 177.2 | 179.9 | 0 | 112.9 | G274 H276 S391 L395 | G274-K393 WeakPolarHBondContact O-CG 3.14Å; H276-K393 HydrophobicContact CB-CB 4.29Å; H276-K393 VanDerWaalsContact CB-O 3.28Å; H276-K393 WeakPolarHBondContact CB-O 3.29Å; S391-K393 PolarHBondContact O-N 2.89Å; S391-K393 PolarHBondContact OG-N 2.85Å; K393-L395 VanDerWaalsContact C-N 3.32Å |
| 394 | D | 93.5 | Very high | 88 | Confident | 93 Ų | 93 | 64.4 Ų | 64.4 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -89.9 | -2.8 | -179.6 | -52.1 | -43.2 | 0 | 0 | 0 | 112.3 | F389 S391 T392 | F389-D394 HydrophobicContact CD1-CB 3.87Å; F389-D394 WeakPolarHBondContact CD1-O 3.44Å; F389-D394 VanDerWaalsContact CE1-O 3.29Å; F389-D394 WeakPolarHBondContact CE1-O 3.32Å; S391-D394 WeakPolarHBondContact CB-OD2 3.43Å; S391-D394 PolarHBondContact N-OD2 3.27Å; S391-D394 PolarHBondContact O-N 2.56Å; S391-D394 VanDerWaalsContact O-N 3.09Å; T392-D394 PolarHBondContact O-N 2.71Å |
| 395 | L | 93.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -65.5 | 140.4 | 179.6 | -67.1 | 174.8 | 0 | 0 | 0 | 111.5 | P376 F389 T392 K393 I400 | P376-L395 HydrophobicContact CG-CD2 3.43Å; P376-L395 VanDerWaalsContact CG-CD2 3.43Å; F389-L395 HydrophobicContact CD2-CD2 4.19Å; F389-L395 HydrophobicContact CG-CD2 4.24Å; T392-L395 HydrophobicContact CG2-CD1 4.21Å; T392-L395 WeakPolarHBondContact O-CB 3.46Å; T392-L395 WeakPolarHBondContact O-CG 3.11Å; T392-L395 PolarHBondContact O-N 2.98Å; K393-L395 VanDerWaalsContact C-N 3.32Å; L395-I400 HydrophobicContact CB-CD1 3.88Å; L395-I400 HydrophobicContact CB-CG1 4.23Å; L395-I400 HydrophobicContact CD1-CD1 4Å |
| 396 | P | 95 | Very high | 90.4 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | trans | -59 | 145.9 | 176.3 | -23.6 | 33.1 | 0 | 0 | 0 | 113.3 | F389 E398 V399 I400 | F389-P396 HydrophobicContact CZ-CG 4.32Å; P396-E398 PolarHBondContact O-N 2.72Å; P396-E398 VanDerWaalsContact O-N 3.1Å; P396-V399 HydrophobicContact CB-CG2 4.31Å; P396-V399 HydrophobicContact CG-CG2 4.32Å; P396-V399 WeakPolarHBondContact O-CB 3.43Å; P396-V399 PolarHBondContact O-N 2.82Å; P396-I400 PolarHBondContact O-N 2.8Å | ||
| 397 | D | 95 | Very high | 91.9 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.5 | -30.7 | 179.6 | -76.8 | -29.2 | 0 | 0 | 0 | 112.7 | R277 I400 T401 | R277-D397 IonicContact NH1-OD2 2.72Å; D397-I400 PolarHBondContact O-N 2.96Å; D397-T401 VanDerWaalsContact O-CB 3.3Å; D397-T401 WeakPolarHBondContact O-CB 3.24Å; D397-T401 PolarHBondContact O-N 2.94Å; D397-T401 PolarHBondContact O-OG1 3.02Å |
| 398 | E | 95.6 | Very high | 93.6 | Very high | 117 Ų | 117 | 48 Ų | 48 | 55% | 0.547 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.7 | -168.5 | -175.7 | 172 | 0 | 0 | 112 | P374 P396 T401 F402 | P374-E398 HydrophobicContact CB-CB 4.43Å; P374-E398 HydrophobicContact CB-CG 3.9Å; P374-E398 HydrophobicContact CG-CG 4.47Å; P396-E398 PolarHBondContact O-N 2.72Å; P396-E398 VanDerWaalsContact O-N 3.1Å; E398-T401 PolarHBondContact O-N 3.12Å; E398-F402 WeakPolarHBondContact O-CB 3.14Å; E398-F402 PolarHBondContact O-N 3.03Å |
| 399 | V | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | P374 Y375 P376 P378 P396 F402 A403 | P374-V399 HydrophobicContact CB-CG2 3.89Å; P374-V399 HydrophobicContact CG-CG2 4.19Å; Y375-V399 WeakPolarHBondContact O-CG2 3.43Å; P376-V399 WeakPolarHBondContact O-CG2 3.28Å; P378-V399 HydrophobicContact CG-CG1 4.12Å; P396-V399 HydrophobicContact CB-CG2 4.31Å; P396-V399 HydrophobicContact CG-CG2 4.32Å; P396-V399 WeakPolarHBondContact O-CB 3.43Å; P396-V399 PolarHBondContact O-N 2.82Å; V399-F402 PolarHBondContact O-N 2.84Å; V399-A403 WeakPolarHBondContact O-CB 3.44Å; V399-A403 PolarHBondContact O-N 3.28Å |
| 400 | I | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 179 | -60.3 | -56.6 | 0 | 0 | 0 | 111.3 | L279 T284 L395 P396 D397 A403 R404 | L279-I400 HydrophobicContact CB-CG2 4.14Å; L279-I400 HydrophobicContact CD1-CG2 3.9Å; L279-I400 HydrophobicContact CG-CG2 3.93Å; T284-I400 HydrophobicContact CG2-CD1 3.58Å; L395-I400 HydrophobicContact CB-CD1 3.88Å; L395-I400 HydrophobicContact CB-CG1 4.23Å; L395-I400 HydrophobicContact CD1-CD1 4Å; P396-I400 PolarHBondContact O-N 2.8Å; D397-I400 PolarHBondContact O-N 2.96Å; I400-A403 PolarHBondContact O-N 3.07Å; I400-R404 WeakPolarHBondContact O-CB 3.3Å; I400-R404 PolarHBondContact O-N 3.03Å |
| 401 | T | 96.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D397 E398 S405 | D397-T401 VanDerWaalsContact O-CB 3.3Å; D397-T401 WeakPolarHBondContact O-CB 3.24Å; D397-T401 PolarHBondContact O-N 2.94Å; D397-T401 PolarHBondContact O-OG1 3.02Å; E398-T401 PolarHBondContact O-N 3.12Å; T401-S405 PolarHBondContact O-N 2.98Å; T401-S405 PolarHBondContact O-OG 3.44Å |
| 402 | F | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 175.1 | -169.8 | -76.8 | 0 | 0 | 0 | 111.5 | Y356 Y369 V373 P374 P378 E398 V399 R404 S405 H406 | Y356-F402 AromaticContact CD1-CE1 3.95Å; Y356-F402 HydrophobicContact CD1-CE1 3.95Å; Y356-F402 AromaticContact CD2-CE1 3.65Å; Y356-F402 HydrophobicContact CD2-CE1 3.65Å; Y356-F402 AromaticContact CD2-CZ 3.75Å; Y356-F402 HydrophobicContact CD2-CZ 3.75Å; Y356-F402 HydrophobicContact CE1-CE1 4.11Å; Y356-F402 AromaticContact CE2-CE1 3.83Å; Y356-F402 HydrophobicContact CE2-CE1 3.83Å; Y356-F402 HydrophobicContact CE2-CZ 4.21Å; Y356-F402 AromaticContact CG-CE1 3.72Å; Y356-F402 HydrophobicContact CG-CE1 3.72Å; Y356-F402 HydrophobicContact CG-CZ 4.03Å; Y369-F402 AromaticContact CD1-CE2 3.99Å; Y369-F402 HydrophobicContact CD1-CE2 3.99Å; Y369-F402 AromaticContact CD1-CZ 3.92Å; Y369-F402 HydrophobicContact CD1-CZ 3.92Å; Y369-F402 AromaticContact CE1-CE2 3.49Å; Y369-F402 HydrophobicContact CE1-CE2 3.49Å; Y369-F402 VanDerWaalsContact CE1-CE2 3.49Å; Y369-F402 AromaticContact CE1-CZ 3.91Å; Y369-F402 HydrophobicContact CE1-CZ 3.91Å; Y369-F402 HydrophobicContact CE2-CE2 4.28Å; Y369-F402 HydrophobicContact CG-CZ 4.38Å; Y369-F402 AromaticContact CZ-CE2 3.66Å; V373-F402 HydrophobicContact CG2-CZ 4.35Å; P374-F402 HydrophobicContact CG-CB 3.7Å; P374-F402 HydrophobicContact CG-CD2 4.13Å; P374-F402 HydrophobicContact CG-CG 3.91Å; P378-F402 HydrophobicContact CB-CD1 4.04Å; P378-F402 HydrophobicContact CG-CB 4.18Å; P378-F402 HydrophobicContact CG-CD1 3.51Å; P378-F402 HydrophobicContact CG-CE1 4.2Å; P378-F402 HydrophobicContact CG-CG 4.08Å; E398-F402 WeakPolarHBondContact O-CB 3.14Å; E398-F402 PolarHBondContact O-N 3.03Å; V399-F402 PolarHBondContact O-N 2.84Å; F402-R404 PolarHBondContact O-N 3.16Å; F402-S405 PolarHBondContact O-N 2.86Å; F402-S405 PolarHBondContact O-OG 2.71Å; F402-H406 HydrophobicContact CD1-CB 4Å; F402-H406 HydrophobicContact CE1-CB 3.64Å; F402-H406 AromaticContact CE1-CG 3.89Å; F402-H406 HydrophobicContact CZ-CB 4.16Å; F402-H406 AromaticContact CZ-CG 3.93Å; F402-H406 PolarHBondContact O-N 3.36Å; F402-H406 PolarHBondContact O-ND1 3.26Å |
| 403 | A | 96.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.1 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T284 P378 V399 I400 S405 | T284-A403 WeakPolarHBondContact O-CB 3.41Å; P378-A403 HydrophobicContact CB-CB 4.17Å; V399-A403 WeakPolarHBondContact O-CB 3.44Å; V399-A403 PolarHBondContact O-N 3.28Å; I400-A403 PolarHBondContact O-N 3.07Å; A403-S405 VanDerWaalsContact C-N 3.32Å; A403-S405 PolarHBondContact O-N 3.1Å |
| 404 | R | 96.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.2 | -171.1 | 173.5 | -174 | -166.3 | 1 | 113.8 | E214 W220 L279 I400 F402 | E214-R404 IonicContact OE1-CZ 2.66Å; E214-R404 IonicContact OE1-NE 3.15Å; E214-R404 IonicContact OE1-NH2 2.72Å; E214-R404 PolarHBondContact OE1-NH2 2.72Å; E214-R404 IonicContact OE2-NE 2.98Å; W220-R404 PolarHBondContact NE1-O 3.32Å; L279-R404 HydrophobicContact CD1-CB 4.1Å; L279-R404 HydrophobicContact CD2-CB 4.31Å; L279-R404 HydrophobicContact CD2-CG 3.97Å; L279-R404 HydrophobicContact CG-CB 4.44Å; I400-R404 WeakPolarHBondContact O-CB 3.3Å; I400-R404 PolarHBondContact O-N 3.03Å; F402-R404 PolarHBondContact O-N 3.16Å |
| 405 | S | 94.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -92.9 | -22 | -173.3 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | T401 F402 A403 P407 | T401-S405 PolarHBondContact O-N 2.98Å; T401-S405 PolarHBondContact O-OG 3.44Å; F402-S405 PolarHBondContact O-N 2.86Å; F402-S405 PolarHBondContact O-OG 2.71Å; A403-S405 VanDerWaalsContact C-N 3.32Å; A403-S405 PolarHBondContact O-N 3.1Å; S405-P407 WeakPolarHBondContact O-CD 3.42Å |
| 406 | H | 95.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | trans | -125.7 | 58.6 | -174.4 | -60.4 | 82.7 | 0 | 0 | 0 | 113.3 | Y356 H358 Y369 F402 A408 | Y356-H406 HydrophobicContact CD1-CB 4.31Å; Y356-H406 HydrophobicContact CG-CB 4.45Å; H358-H406 AromaticContact CE1-NE2 3.99Å; H358-H406 AromaticContact ND1-CD2 3.94Å; H358-H406 AromaticContact ND1-NE2 3.07Å; H358-H406 PolarHBondContact ND1-NE2 3.13Å; Y369-H406 AromaticContact CD2-NE2 3.75Å; Y369-H406 AromaticContact CE2-NE2 3.98Å; F402-H406 HydrophobicContact CD1-CB 4Å; F402-H406 HydrophobicContact CE1-CB 3.64Å; F402-H406 AromaticContact CE1-CG 3.89Å; F402-H406 HydrophobicContact CZ-CB 4.16Å; F402-H406 AromaticContact CZ-CG 3.93Å; F402-H406 PolarHBondContact O-N 3.36Å; F402-H406 PolarHBondContact O-ND1 3.26Å; H406-A408 VanDerWaalsContact C-N 3.27Å; H406-A408 PolarHBondContact O-N 2.85Å | ||
| 407 | P | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | trans | -74.8 | -11.9 | 179.6 | 31.9 | -37.3 | 0 | 0 | 0 | 113.8 | R219 W220 F286 L287 K288 S405 | R219-P407 HydrophobicContact CB-CG 4.06Å; R219-P407 WeakPolarHBondContact O-CG 3.21Å; W220-P407 HydrophobicContact CG-CG 4.31Å; F286-P407 HydrophobicContact CD1-CB 4.1Å; F286-P407 HydrophobicContact CE1-CB 4.28Å; L287-P407 CarbonylContact C-O 3.44Å; L287-P407 VanDerWaalsContact CA-O 3.23Å; L287-P407 WeakPolarHBondContact CA-O 3.39Å; K288-P407 PolarHBondContact N-O 3.19Å; S405-P407 WeakPolarHBondContact O-CD 3.42Å | ||
| 408 | A | 97 | Very high | 95.9 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -106.2 | 141.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K288 A357 H406 | K288-A408 HydrophobicContact CG-CB 4.24Å; K288-A408 CarbonylContact O-C 3.52Å; K288-A408 WeakPolarHBondContact O-CA 3.36Å; A357-A408 HydrophobicContact CB-CB 4.12Å; A357-A408 WeakPolarHBondContact CB-O 3.41Å; A357-A408 PolarHBondContact N-O 3.49Å; H406-A408 VanDerWaalsContact C-N 3.27Å; H406-A408 PolarHBondContact O-N 2.85Å |
| 409 | M | 98 | Very high | 95.6 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | 144.2 | 171 | -52.2 | -47.2 | -64 | 0 | 0 | 110.6 | L287 K288 A289 V351 F352 G354 Y356 | L287-M409 HydrophobicContact CB-SD 4.42Å; L287-M409 HydrophobicContact CD1-SD 4Å; L287-M409 HydrophobicContact CD2-SD 4.23Å; L287-M409 HydrophobicContact CG-SD 4.46Å; K288-M409 PolarHBondContact O-N 2.94Å; A289-M409 HydrophobicContact CB-CB 4.19Å; A289-M409 HydrophobicContact CB-CG 4.3Å; V351-M409 HydrophobicContact CG1-CB 4.08Å; V351-M409 HydrophobicContact CG1-CG 4.45Å; V351-M409 WeakPolarHBondContact O-CE 3.38Å; F352-M409 HydrophobicContact CD1-CG 3.7Å; F352-M409 HydrophobicContact CD1-SD 4.31Å; F352-M409 HydrophobicContact CE1-CG 4.12Å; F352-M409 WeakPolarHBondContact O-CE 3.24Å; G354-M409 WeakPolarHBondContact O-CE 3.16Å; Y356-M409 HydrophobicContact CD1-CE 4.09Å; Y356-M409 HydrophobicContact CD1-SD 3.85Å; Y356-M409 HydrophobicContact CE1-CE 4.22Å; Y356-M409 HydrophobicContact CE1-SD 4.02Å; Y356-M409 HydrophobicContact CG-CE 4.41Å |
| 410 | Y | 96.3 | Very high | 95.5 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -75.5 | -45.9 | -179.7 | 178.1 | -102.8 | 0 | 0 | 0 | 112 | P355 V367 P368 | P355-Y410 HydrophobicContact CG-CD1 4.36Å; P355-Y410 WeakPolarHBondContact O-CB 3.49Å; P355-Y410 PolarHBondContact O-N 2.6Å; V367-Y410 VanDerWaalsContact C-CD2 3.46Å; P368-Y410 HydrophobicContact CB-CD1 3.72Å; P368-Y410 HydrophobicContact CB-CD2 4.35Å; P368-Y410 HydrophobicContact CB-CE1 4.08Å; P368-Y410 HydrophobicContact CB-CG 3.86Å; P368-Y410 HydrophobicContact CG-CD1 4.18Å; P368-Y410 HydrophobicContact CG-CE1 4.02Å |
| 411 | N | 97.6 | Very high | 95.3 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -73.4 | 137.2 | 179.2 | -69.7 | -15.3 | 0 | 0 | 0 | 110.5 | V351 P355 | V351-N411 WeakPolarHBondContact CG1-O 3.49Å; V351-N411 HydrophobicContact CG2-CB 4.46Å; P355-N411 WeakPolarHBondContact CD-ND2 3.32Å |
| 412 | P | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 24% | 0.24 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 162.9 | 169.3 | 32.7 | -33.9 | 0 | 0 | 0 | 111.8 | R290 I292 V351 F414 | R290-P412 HydrophobicContact CB-CB 4.2Å; R290-P412 CarbonylContact O-C 3.57Å; R290-P412 WeakPolarHBondContact O-CA 3.45Å; I292-P412 HydrophobicContact CD1-CB 4.24Å; I292-P412 HydrophobicContact CG1-CB 3.54Å; I292-P412 HydrophobicContact CG1-CG 4.09Å; V351-P412 WeakPolarHBondContact CG2-O 3.24Å; P412-F414 HydrophobicContact CG-CD2 4.28Å; P412-F414 HydrophobicContact CG-CE2 3.59Å; P412-F414 HydrophobicContact CG-CZ 3.81Å |
| 413 | V | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -93 | 118.3 | 167.2 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | I265 A289 R290 L291 I292 Y343 V348 V351 | I265-V413 HydrophobicContact CG2-CG2 4.33Å; A289-V413 HydrophobicContact CB-CG2 4.12Å; R290-V413 PolarHBondContact O-N 3.48Å; L291-V413 HydrophobicContact CD2-CB 4Å; L291-V413 HydrophobicContact CD2-CG1 4.16Å; I292-V413 PolarHBondContact N-O 2.98Å; Y343-V413 HydrophobicContact CD1-CG1 3.89Å; V348-V413 HydrophobicContact CG2-CG1 3.88Å; V348-V413 HydrophobicContact CG2-CG2 4.44Å; V351-V413 HydrophobicContact CB-CG2 3.91Å; V351-V413 HydrophobicContact CG1-CG2 3.96Å; V351-V413 HydrophobicContact CG2-CG2 3.87Å |
| 414 | F | 97.6 | Very high | 94.6 | Very high | 96 Ų | 96 | 44 Ų | 44 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -89.6 | 153.7 | 175.2 | -73.3 | -80.1 | 0 | 0 | 0 | 111.4 | I292 Y343 P412 N418 | I292-F414 HydrophobicContact CB-CD1 3.96Å; I292-F414 HydrophobicContact CB-CE1 4.14Å; I292-F414 HydrophobicContact CG1-CD1 4.39Å; I292-F414 HydrophobicContact CG1-CE1 4.18Å; I292-F414 HydrophobicContact CG2-CD1 3.87Å; I292-F414 HydrophobicContact CG2-CE1 3.85Å; Y343-F414 WeakPolarHBondContact CD1-O 3.22Å; P412-F414 HydrophobicContact CG-CD2 4.28Å; P412-F414 HydrophobicContact CG-CE2 3.59Å; P412-F414 HydrophobicContact CG-CZ 3.81Å; F414-N418 WeakPolarHBondContact CB-OD1 3.25Å |
| 415 | P | 96.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 160.3 | 176.3 | 30.7 | -26.5 | 0 | 0 | 0 | 110 | I292 C341 T342 Y343 N417 N418 | I292-P415 VanDerWaalsContact O-CD 3.23Å; I292-P415 WeakPolarHBondContact O-CD 3.42Å; C341-P415 HydrophobicContact CB-CB 3.94Å; T342-P415 CarbonylContact O-C 3.43Å; T342-P415 WeakPolarHBondContact O-CA 3.34Å; T342-P415 WeakPolarHBondContact O-CB 3.45Å; Y343-P415 HydrophobicContact CD1-CB 4.24Å; Y343-P415 HydrophobicContact CE1-CB 3.92Å; P415-N417 PolarHBondContact O-N 3.42Å; P415-N418 WeakPolarHBondContact O-CA 3.31Å; P415-N418 PolarHBondContact O-N 2.92Å |
| 416 | I | 93.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -55 | 132.5 | 175.9 | -61.6 | 173.2 | 0 | 0 | 0 | 108.4 | I323 T342 N418 | I323-I416 HydrophobicContact CG2-CD1 4.42Å; T342-I416 PolarHBondContact O-N 3.21Å; I416-N418 PolarHBondContact O-N 3.39Å |
| 417 | N | 89.1 | Confident | 93.2 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | 62.1 | 16.5 | -173.9 | -51.7 | -42.5 | 0 | 0 | 0 | 115.7 | P415 R419 H470 | P415-N417 PolarHBondContact O-N 3.42Å; N417-R419 HydrophobicContact CB-CG 4.38Å; N417-R419 PolarHBondContact O-N 3.23Å; N417-R419 VanDerWaalsContact O-N 3.16Å; N417-H470 PolarHBondContact ND2-O 3.09Å |
| 418 | N | 91.6 | Very high | 92.8 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | 55.1 | 28 | 178.4 | -60.6 | -31.5 | 0 | 0 | 0 | 114.6 | F414 P415 I416 | F414-N418 WeakPolarHBondContact CB-OD1 3.25Å; P415-N418 WeakPolarHBondContact O-CA 3.31Å; P415-N418 PolarHBondContact O-N 2.92Å; I416-N418 PolarHBondContact O-N 3.39Å |
| 419 | R | 90 | Very high | 92.5 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -147.4 | 156.9 | 177.5 | 65.2 | -178.2 | -176 | -100.7 | -0.7 | 112.1 | N417 H470 | N417-R419 HydrophobicContact CB-CG 4.38Å; N417-R419 PolarHBondContact O-N 3.23Å; N417-R419 VanDerWaalsContact O-N 3.16Å; R419-H470 PolarHBondContact NH2-O 2.89Å; R419-H470 VanDerWaalsContact NH2-O 3.14Å |
| 420 | P | 93.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.071 | 29% | 0.285 | C | S | . | . | trans | -65.5 | 152.4 | 169.5 | -16 | 30.9 | 0 | 0 | 0 | 111.4 | S294 V295 A339 V340 C341 I423 | S294-P420 WeakPolarHBondContact O-CD 3.32Å; V295-P420 HydrophobicContact CG2-CG 3.88Å; A339-P420 HydrophobicContact CB-CB 4.16Å; A339-P420 HydrophobicContact CB-CG 4.37Å; V340-P420 CarbonylContact O-C 3.5Å; V340-P420 WeakPolarHBondContact O-CA 3.14Å; V340-P420 WeakPolarHBondContact O-CB 3.35Å; C341-P420 VanDerWaalsContact SG-CA 3.58Å; P420-I423 HydrophobicContact CB-CD1 4.21Å; P420-I423 HydrophobicContact CB-CG1 3.83Å; P420-I423 HydrophobicContact CG-CD1 4.09Å; P420-I423 HydrophobicContact CG-CG1 3.98Å | ||
| 421 | I | 91.6 | Very high | 92.5 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -85.9 | -19.1 | 173.4 | 62.1 | 162.2 | 0 | 0 | 0 | 112.7 | Y325 V340 T342 M449 | Y325-I421 HydrophobicContact CD1-CD1 4.05Å; Y325-I421 HydrophobicContact CE1-CD1 3.83Å; V340-I421 HydrophobicContact CB-CD1 4.34Å; V340-I421 HydrophobicContact CB-CG1 3.9Å; V340-I421 HydrophobicContact CG1-CD1 3.78Å; V340-I421 HydrophobicContact CG1-CG1 3.81Å; V340-I421 VanDerWaalsContact O-CG1 3.25Å; V340-I421 WeakPolarHBondContact O-CG1 3.47Å; V340-I421 PolarHBondContact O-N 3.14Å; T342-I421 HydrophobicContact CG2-CD1 3.75Å; T342-I421 HydrophobicContact CG2-CG1 4.33Å; T342-I421 HydrophobicContact CG2-CG2 4.15Å; I421-M449 HydrophobicContact CD1-CE 3.89Å; I421-M449 HydrophobicContact CD1-SD 3.38Å; I421-M449 WeakPolarHBondContact CD1-SD 3.11Å; I421-M449 HydrophobicContact CG1-SD 4.43Å |
| 422 | M | 91.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 139.4 | 176.2 | -175.1 | -177 | -171.5 | 0 | 0 | 109.6 | A339 V340 K424 F431 I451 L459 V461 E474 | A339-M422 CarbonylContact C-O 3.49Å; A339-M422 WeakPolarHBondContact CA-O 3.48Å; V340-M422 HydrophobicContact CB-CB 4.27Å; V340-M422 HydrophobicContact CG2-CB 4.38Å; V340-M422 PolarHBondContact N-O 3.35Å; V340-M422 PolarHBondContact O-N 3.49Å; M422-K424 HydrophobicContact CE-CG 4.19Å; M422-F431 HydrophobicContact CE-CZ 3.89Å; M422-F431 HydrophobicContact CG-CE2 4.49Å; M422-F431 HydrophobicContact SD-CE2 4.05Å; M422-F431 HydrophobicContact SD-CZ 3.94Å; M422-I451 HydrophobicContact SD-CD1 3.55Å; M422-I451 VanDerWaalsContact SD-CD1 3.55Å; M422-L459 HydrophobicContact CE-CD1 4.34Å; M422-V461 HydrophobicContact CE-CG2 3.79Å; M422-V461 HydrophobicContact SD-CG1 4.28Å; M422-V461 HydrophobicContact SD-CG2 3.88Å; M422-E474 HydrophobicContact CG-CG 4.33Å |
| 423 | I | 92.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.9 | 177.6 | -60.6 | 148.5 | 0 | 0 | 0 | 109.9 | V295 F305 S338 A339 P420 T425 | V295-I423 HydrophobicContact CG2-CD1 3.34Å; V295-I423 HydrophobicContact CG2-CG1 4.05Å; F305-I423 HydrophobicContact CZ-CG2 3.95Å; S338-I423 CarbonylContact O-C 3.51Å; S338-I423 WeakPolarHBondContact O-CA 3.36Å; A339-I423 HydrophobicContact CB-CG1 4.41Å; P420-I423 HydrophobicContact CB-CD1 4.21Å; P420-I423 HydrophobicContact CB-CG1 3.83Å; P420-I423 HydrophobicContact CG-CD1 4.09Å; P420-I423 HydrophobicContact CG-CG1 3.98Å; I423-T425 HydrophobicContact CG2-CG2 3.92Å |
| 424 | K | 91.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 10% | 0.1 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 113.8 | 172.7 | -80.1 | -61.8 | -172.4 | 173.3 | 0 | 111.5 | N28 G337 S338 M422 V427 F431 | N28-K424 PolarHBondContact O-NZ 3.07Å; G337-K424 CarbonylContact C-O 3.53Å; G337-K424 VanDerWaalsContact CA-O 3.31Å; G337-K424 WeakPolarHBondContact CA-O 3.45Å; S338-K424 PolarHBondContact N-O 2.99Å; S338-K424 PolarHBondContact O-N 3.19Å; M422-K424 HydrophobicContact CE-CG 4.19Å; K424-V427 HydrophobicContact CB-CG2 4.06Å; K424-V427 HydrophobicContact CD-CG1 4.4Å; K424-F431 HydrophobicContact CB-CE1 4.23Å; K424-F431 HydrophobicContact CB-CZ 3.88Å; K424-F431 HydrophobicContact CG-CE1 4.04Å; K424-F431 HydrophobicContact CG-CZ 3.56Å |
| 425 | T | 87.5 | Confident | 92.6 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | trans | -124.7 | -18.3 | -177.6 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | F305 I423 | F305-T425 HydrophobicContact CZ-CG2 4.37Å; I423-T425 HydrophobicContact CG2-CG2 3.92Å | ||
| 426 | D | 82.9 | Confident | 92.7 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 84% | 0.84 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -108 | 40.9 | -175.6 | -57.5 | -33.5 | 0 | 0 | 0 | 112 | ||
| 427 | V | 86.6 | Confident | 92.9 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -135.4 | 155.8 | -179.8 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | K424 Y429 | K424-V427 HydrophobicContact CB-CG2 4.06Å; K424-V427 HydrophobicContact CD-CG1 4.4Å; V427-Y429 VanDerWaalsContact C-N 3.28Å; V427-Y429 HydrophobicContact CB-CD1 3.98Å; V427-Y429 HydrophobicContact CB-CD2 4.5Å; V427-Y429 HydrophobicContact CB-CE1 3.78Å; V427-Y429 HydrophobicContact CB-CE2 4.28Å; V427-Y429 HydrophobicContact CB-CG 4.36Å; V427-Y429 HydrophobicContact CG1-CE1 3.97Å; V427-Y429 HydrophobicContact CG2-CD1 4.33Å; V427-Y429 HydrophobicContact CG2-CD2 3.97Å; V427-Y429 HydrophobicContact CG2-CE1 4.22Å; V427-Y429 HydrophobicContact CG2-CE2 3.8Å; V427-Y429 HydrophobicContact CG2-CG 4.24Å; V427-Y429 PolarHBondContact O-N 2.73Å |
| 428 | D | 87.4 | Confident | 93.1 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -84.7 | -2 | -177.7 | 63.4 | -23.6 | 0 | 0 | 0 | 113.9 | K336 | K336-D428 PolarHBondContact NZ-O 2.71Š|
| 429 | Y | 92.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | trans | -114.4 | 161.3 | -179.3 | 61.1 | -104.1 | 0 | 0 | 0 | 113.4 | V427 F431 T453 D454 I455 L459 | V427-Y429 VanDerWaalsContact C-N 3.28Å; V427-Y429 HydrophobicContact CB-CD1 3.98Å; V427-Y429 HydrophobicContact CB-CD2 4.5Å; V427-Y429 HydrophobicContact CB-CE1 3.78Å; V427-Y429 HydrophobicContact CB-CE2 4.28Å; V427-Y429 HydrophobicContact CB-CG 4.36Å; V427-Y429 HydrophobicContact CG1-CE1 3.97Å; V427-Y429 HydrophobicContact CG2-CD1 4.33Å; V427-Y429 HydrophobicContact CG2-CD2 3.97Å; V427-Y429 HydrophobicContact CG2-CE1 4.22Å; V427-Y429 HydrophobicContact CG2-CE2 3.8Å; V427-Y429 HydrophobicContact CG2-CG 4.24Å; V427-Y429 PolarHBondContact O-N 2.73Å; Y429-F431 HydrophobicContact CE2-CD1 4.44Å; Y429-F431 HydrophobicContact CE2-CE1 4.03Å; Y429-T453 HydrophobicContact CD2-CG2 3.58Å; Y429-T453 HydrophobicContact CE2-CG2 3.88Å; Y429-T453 HydrophobicContact CG-CG2 4.22Å; Y429-D454 WeakPolarHBondContact CA-OD1 3.44Å; Y429-D454 WeakPolarHBondContact CB-OD1 3.27Å; Y429-I455 HydrophobicContact CD1-CD1 3.64Å; Y429-I455 HydrophobicContact CD1-CG1 4.36Å; Y429-I455 HydrophobicContact CG-CD1 4Å; Y429-I455 HydrophobicContact CG-CG1 4.24Å; Y429-L459 HydrophobicContact CE2-CD1 4.15Å | ||
| 430 | Q | 95.7 | Very high | 93.4 | Very high | 44 Ų | 44 | 38 Ų | 38 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | trans | -120.2 | 150.2 | 173.6 | -70.3 | -175.1 | -44.6 | 0 | 0 | 111.3 | T329 K336 S338 T453 D454 | T329-Q430 HydrophobicContact CG2-CB 4Å; T329-Q430 HydrophobicContact CG2-CG 4.34Å; K336-Q430 HydrophobicContact CB-CG 4.19Å; K336-Q430 HydrophobicContact CD-CG 4.41Å; K336-Q430 HydrophobicContact CG-CG 4.41Å; S338-Q430 WeakPolarHBondContact OG-CA 3.26Å; Q430-T453 CarbonylContact O-C 3.41Å; Q430-T453 WeakPolarHBondContact O-CA 3.19Å; Q430-D454 PolarHBondContact N-OD1 3.12Å; Q430-D454 PolarHBondContact O-N 3.32Å | ||
| 431 | F | 98 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 142.1 | 173.4 | -61.4 | -14.3 | 0 | 0 | 0 | 110.7 | V327 S338 V340 M422 K424 Y429 I451 G452 L459 | V327-F431 HydrophobicContact CG1-CB 3.37Å; V327-F431 HydrophobicContact CG1-CD2 4.43Å; V327-F431 HydrophobicContact CG1-CG 4.43Å; S338-F431 VanDerWaalsContact CB-CD2 3.4Å; S338-F431 VanDerWaalsContact CB-CG 3.42Å; S338-F431 PolarHBondContact OG-N 3.19Å; V340-F431 HydrophobicContact CG2-CD2 4.02Å; V340-F431 HydrophobicContact CG2-CE2 4.02Å; M422-F431 HydrophobicContact CE-CZ 3.89Å; M422-F431 HydrophobicContact CG-CE2 4.49Å; M422-F431 HydrophobicContact SD-CE2 4.05Å; M422-F431 HydrophobicContact SD-CZ 3.94Å; K424-F431 HydrophobicContact CB-CE1 4.23Å; K424-F431 HydrophobicContact CB-CZ 3.88Å; K424-F431 HydrophobicContact CG-CE1 4.04Å; K424-F431 HydrophobicContact CG-CZ 3.56Å; Y429-F431 HydrophobicContact CE2-CD1 4.44Å; Y429-F431 HydrophobicContact CE2-CE1 4.03Å; F431-I451 HydrophobicContact CB-CG2 3.85Å; F431-I451 HydrophobicContact CD1-CG2 3.7Å; F431-I451 HydrophobicContact CD2-CG2 3.87Å; F431-I451 HydrophobicContact CE1-CG2 4.17Å; F431-I451 HydrophobicContact CE2-CD1 4.28Å; F431-I451 HydrophobicContact CE2-CG2 4.33Å; F431-I451 HydrophobicContact CG-CG2 3.54Å; F431-I451 HydrophobicContact CZ-CD1 4.5Å; F431-I451 HydrophobicContact CZ-CG2 4.45Å; F431-G452 WeakPolarHBondContact CA-O 3.25Å; F431-L459 HydrophobicContact CD1-CD1 4.37Å; F431-L459 HydrophobicContact CE1-CD1 3.48Å; F431-L459 VanDerWaalsContact CE1-CD1 3.48Å; F431-L459 HydrophobicContact CZ-CD1 4.02Å |
| 432 | T | 98.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.104 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -36.1 | -174.9 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | G452 D454 V488 I489 | T432-G452 PolarHBondContact N-O 3.03Å; T432-G452 PolarHBondContact OG1-O 2.87Å; T432-D454 HydrophobicContact CG2-CB 3.96Å; T432-V488 HydrophobicContact CG2-CG1 4.06Å; T432-I489 VanDerWaalsContact CB-O 3.26Å; T432-I489 WeakPolarHBondContact CB-O 3.3Å; T432-I489 PolarHBondContact OG1-O 2.83Å |
| 433 | Q | 98.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.5 | -172.9 | -67.7 | -68.6 | -73.9 | 0 | 0 | 109.9 | D310 I451 G452 I489 M492 | D310-Q433 VanDerWaalsContact OD2-CA 3.32Å; D310-Q433 WeakPolarHBondContact OD2-CA 3.21Å; Q433-I451 CarbonylContact O-C 3.55Å; Q433-I451 WeakPolarHBondContact O-CA 3.45Å; Q433-G452 PolarHBondContact O-N 2.71Å; Q433-I489 HydrophobicContact CB-CG2 4.2Å; Q433-I489 HydrophobicContact CG-CG2 4.04Å; Q433-M492 HydrophobicContact CB-CB 4.15Å; Q433-M492 HydrophobicContact CB-CG 3.67Å; Q433-M492 HydrophobicContact CB-SD 3.44Å; Q433-M492 WeakPolarHBondContact CB-SD 3.28Å; Q433-M492 HydrophobicContact CG-CG 4.27Å |
| 434 | I | 98.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 139.3 | 174.8 | -171.2 | 166.8 | 0 | 0 | 0 | 111.5 | D310 F312 Y325 V327 V340 V436 M449 F450 I451 | D310-I434 HydrophobicContact CB-CG2 4.49Å; D310-I434 PolarHBondContact OD2-N 3.2Å; F312-I434 HydrophobicContact CB-CG2 4Å; Y325-I434 HydrophobicContact CD1-CD1 4.4Å; V327-I434 HydrophobicContact CG2-CB 3.55Å; V327-I434 HydrophobicContact CG2-CD1 4.29Å; V327-I434 HydrophobicContact CG2-CG2 3.49Å; V327-I434 VanDerWaalsContact CG2-CG2 3.49Å; V340-I434 HydrophobicContact CG1-CD1 3.78Å; V340-I434 HydrophobicContact CG2-CD1 4.35Å; I434-V436 HydrophobicContact CD1-CG2 4.02Å; I434-V436 HydrophobicContact CG1-CG2 3.94Å; I434-M449 HydrophobicContact CD1-CB 4.39Å; I434-M449 HydrophobicContact CD1-CG 4.35Å; I434-M449 HydrophobicContact CD1-SD 4.24Å; I434-F450 WeakPolarHBondContact CA-O 3.42Å; I434-I451 HydrophobicContact CD1-CG1 4.19Å; I434-I451 HydrophobicContact CG1-CG1 4.22Å |
| 435 | V | 98.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.8 | 159.3 | -62.6 | 0 | 0 | 0 | 0 | 108.7 | F312 F450 M492 I494 L501 | F312-V435 HydrophobicContact CD2-CB 4.16Å; F312-V435 HydrophobicContact CD2-CG1 4.1Å; F312-V435 HydrophobicContact CE2-CB 4.07Å; F312-V435 HydrophobicContact CE2-CG1 4.19Å; V435-F450 HydrophobicContact CG2-CB 3.85Å; V435-F450 HydrophobicContact CG2-CD2 4.4Å; V435-F450 PolarHBondContact N-O 2.86Å; V435-F450 PolarHBondContact O-N 2.68Å; V435-M492 HydrophobicContact CG1-CB 4Å; V435-M492 HydrophobicContact CG2-CE 4.27Å; V435-I494 HydrophobicContact CB-CB 4.16Å; V435-I494 HydrophobicContact CB-CG2 3.89Å; V435-I494 HydrophobicContact CG1-CG2 4.34Å; V435-I494 HydrophobicContact CG2-CB 3.93Å; V435-I494 HydrophobicContact CG2-CG2 4.23Å; V435-L501 HydrophobicContact CG2-CD1 3.4Å; V435-L501 VanDerWaalsContact CG2-CD1 3.4Å |
| 436 | V | 97.7 | Very high | 93 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.9 | -176.1 | -166.2 | 0 | 0 | 0 | 0 | 109 | F312 M314 Y325 I434 D447 V448 M449 | F312-V436 HydrophobicContact CD1-CB 3.9Å; F312-V436 HydrophobicContact CD1-CG2 3.87Å; F312-V436 HydrophobicContact CE1-CB 3.82Å; F312-V436 HydrophobicContact CE1-CG2 4.32Å; F312-V436 VanDerWaalsContact CE1-O 3.3Å; F312-V436 WeakPolarHBondContact CE1-O 3.48Å; F312-V436 HydrophobicContact CG-CG2 4.48Å; F312-V436 VanDerWaalsContact CZ-O 3.25Å; F312-V436 WeakPolarHBondContact CZ-O 3.45Å; M314-V436 HydrophobicContact CE-CB 3.52Å; M314-V436 HydrophobicContact CE-CG1 3.29Å; Y325-V436 HydrophobicContact CD1-CG2 3.83Å; Y325-V436 HydrophobicContact CD2-CG2 4.26Å; Y325-V436 HydrophobicContact CE1-CG1 4.32Å; Y325-V436 HydrophobicContact CE1-CG2 4.13Å; Y325-V436 HydrophobicContact CG-CG2 3.92Å; I434-V436 HydrophobicContact CD1-CG2 4.02Å; I434-V436 HydrophobicContact CG1-CG2 3.94Å; V436-D447 HydrophobicContact CG1-CB 4.16Å; V436-V448 WeakPolarHBondContact CA-O 3.15Å; V436-V448 WeakPolarHBondContact CG1-O 3.27Å; V436-M449 HydrophobicContact CG1-CG 4.03Å; V436-M449 HydrophobicContact CG2-CG 4.01Å |
| 437 | D | 96.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 146 | 171.4 | -164.3 | 9.6 | 0 | 0 | 0 | 110.3 | V439 D447 V448 I494 T496 Y534 | D437-V439 HydrophobicContact CB-CG2 4.16Å; D437-D447 WeakPolarHBondContact O-CA 3.4Å; D437-V448 PolarHBondContact N-O 3Å; D437-V448 PolarHBondContact O-N 3.38Å; D437-I494 HydrophobicContact CB-CD1 3.74Å; D437-T496 WeakPolarHBondContact OD1-CG2 3.29Å; D437-Y534 WeakPolarHBondContact CB-OH 3.47Å; D437-Y534 VanDerWaalsContact CG-OH 3.25Å; D437-Y534 PolarHBondContact OD2-OH 3.13Å |
| 438 | R | 94.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 36.6 Ų | 36.6 | 32% | 0.321 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 109.5 | 171.2 | -172.6 | 145.4 | -58.3 | 174.1 | 9.8 | 109.2 | M314 Q445 Y446 D447 | M314-R438 HydrophobicContact CE-CB 4.28Å; M314-R438 HydrophobicContact SD-CB 4.4Å; R438-Q445 HydrophobicContact CG-CB 4.19Å; R438-Y446 WeakPolarHBondContact CA-O 3.46Å; R438-D447 IonicContact CZ-OD1 3.92Å; R438-D447 IonicContact CZ-OD2 3.93Å; R438-D447 IonicContact NE-OD1 2.78Å; R438-D447 PolarHBondContact NE-OD1 2.85Å; R438-D447 IonicContact NE-OD2 3.82Å; R438-D447 IonicContact NH2-OD1 2.86Å; R438-D447 PolarHBondContact NH2-OD1 2.88Å; R438-D447 IonicContact NH2-OD2 3.78Å; R438-D447 PolarHBondContact NH2-OD2 3.09Å |
| 439 | V | 94.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.1 | -168.2 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | D437 Q445 Y446 V448 P533 Y534 | D437-V439 HydrophobicContact CB-CG2 4.16Å; V439-Q445 WeakPolarHBondContact O-CA 3.38Å; V439-Y446 PolarHBondContact N-O 2.69Å; V439-Y446 PolarHBondContact O-N 3.23Å; V439-V448 HydrophobicContact CB-CG2 4.49Å; V439-V448 HydrophobicContact CG2-CB 4.33Å; V439-V448 HydrophobicContact CG2-CG2 3.78Å; V439-P533 HydrophobicContact CB-CB 3.97Å; V439-P533 HydrophobicContact CG1-CB 3.84Å; V439-Y534 HydrophobicContact CB-CE1 4.43Å; V439-Y534 HydrophobicContact CG1-CD1 3.84Å; V439-Y534 HydrophobicContact CG1-CE1 3.91Å; V439-Y534 HydrophobicContact CG1-CG 4.16Å; V439-Y534 HydrophobicContact CG2-CD1 4.27Å; V439-Y534 HydrophobicContact CG2-CD2 4.3Å; V439-Y534 HydrophobicContact CG2-CE1 3.58Å; V439-Y534 HydrophobicContact CG2-CE2 3.67Å; V439-Y534 WeakPolarHBondContact CG2-OH 3.31Å |
| 440 | D | 92.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 30.8 Ų | 30.8 | 43% | 0.433 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.1 | 169.2 | -65.3 | -46.1 | 0 | 0 | 0 | 110.1 | Q445 Y545 P547 | D440-Q445 VanDerWaalsContact OD1-CG 3.24Å; D440-Q445 WeakPolarHBondContact OD1-CG 3.49Å; D440-Q445 PolarHBondContact OD1-NE2 2.88Å; D440-Y545 WeakPolarHBondContact O-CD1 3.48Å; D440-Y545 WeakPolarHBondContact O-CE1 3.4Å; D440-P547 HydrophobicContact CB-CG 4.35Å |
| 441 | A | 91.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -123.3 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D443 G444 Y446 P533 Y545 I558 | A441-D443 VanDerWaalsContact C-N 3.27Å; A441-D443 PolarHBondContact O-N 2.96Å; A441-G444 WeakPolarHBondContact CA-O 3.35Å; A441-G444 WeakPolarHBondContact CB-O 3.39Å; A441-G444 PolarHBondContact N-O 2.76Å; A441-Y446 HydrophobicContact CB-CD2 3.76Å; A441-Y446 HydrophobicContact CB-CE2 3.91Å; A441-P533 HydrophobicContact CB-CB 4.38Å; A441-Y545 PolarHBondContact O-OH 2.98Å; A441-I558 HydrophobicContact CB-CG1 4.09Å | ||
| 442 | E | 87.4 | Confident | 95.1 | Very high | 94 Ų | 94 | 28.7 Ų | 28.7 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -59.4 | -35.4 | -179.8 | -175.7 | 165.4 | -166.7 | 0 | 0 | 113.6 | Y545 Q556 | E442-Y545 WeakPolarHBondContact CA-OH 3.48Å; E442-Y545 HydrophobicContact CB-CE2 4.12Å; E442-Y545 PolarHBondContact N-OH 2.72Å; E442-Q556 HydrophobicContact CB-CB 4.2Å; E442-Q556 PolarHBondContact OE2-N 2.89Å |
| 443 | D | 87.5 | Confident | 95.1 | Very high | 75 Ų | 75 | 27.9 Ų | 27.9 | 40% | 0.401 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -105.8 | -5.5 | -173.8 | 63.4 | -36.9 | 0 | 0 | 0 | 114.4 | A441 Y446 | A441-D443 VanDerWaalsContact C-N 3.27Å; A441-D443 PolarHBondContact O-N 2.96Å; D443-Y446 VanDerWaalsContact OD1-CE2 3.31Å; D443-Y446 WeakPolarHBondContact OD1-CE2 3.13Å; D443-Y446 PolarHBondContact OD2-OH 3.4Å |
| 444 | G | 89.4 | Confident | 95 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 27% | 0.268 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 160.3 | -161.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A441 | A441-G444 WeakPolarHBondContact CA-O 3.35Å; A441-G444 WeakPolarHBondContact CB-O 3.39Å; A441-G444 PolarHBondContact N-O 2.76Å |
| 445 | Q | 91.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 30.4 Ų | 30.4 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.3 | 176.3 | -69.1 | -173.4 | -34 | 0 | 0 | 110.4 | R438 V439 D440 | R438-Q445 HydrophobicContact CG-CB 4.19Å; V439-Q445 WeakPolarHBondContact O-CA 3.38Å; D440-Q445 VanDerWaalsContact OD1-CG 3.24Å; D440-Q445 WeakPolarHBondContact OD1-CG 3.49Å; D440-Q445 PolarHBondContact OD1-NE2 2.88Å |
| 446 | Y | 93.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.8 | -179.1 | -70.7 | -86.2 | 0 | 0 | 0 | 111.5 | R438 V439 A441 D443 V462 I464 P533 I558 | R438-Y446 WeakPolarHBondContact CA-O 3.46Å; V439-Y446 PolarHBondContact N-O 2.69Å; V439-Y446 PolarHBondContact O-N 3.23Å; A441-Y446 HydrophobicContact CB-CD2 3.76Å; A441-Y446 HydrophobicContact CB-CE2 3.91Å; D443-Y446 VanDerWaalsContact OD1-CE2 3.31Å; D443-Y446 WeakPolarHBondContact OD1-CE2 3.13Å; D443-Y446 PolarHBondContact OD2-OH 3.4Å; Y446-V462 HydrophobicContact CD1-CG2 4.13Å; Y446-V462 HydrophobicContact CG-CG2 4.34Å; Y446-I464 HydrophobicContact CD1-CG1 4.2Å; Y446-I464 HydrophobicContact CE1-CB 4.36Å; Y446-I464 HydrophobicContact CE1-CG1 4.09Å; Y446-I464 HydrophobicContact CE1-CG2 4.18Å; Y446-P533 HydrophobicContact CD2-CG 4.34Å; Y446-P533 HydrophobicContact CG-CG 4.1Å; Y446-I558 HydrophobicContact CD1-CG2 3.92Å; Y446-I558 HydrophobicContact CD2-CB 4.4Å; Y446-I558 HydrophobicContact CD2-CG1 4.42Å; Y446-I558 HydrophobicContact CD2-CG2 4.12Å; Y446-I558 HydrophobicContact CE1-CB 4.29Å; Y446-I558 HydrophobicContact CE1-CG2 3.66Å; Y446-I558 HydrophobicContact CE2-CB 3.81Å; Y446-I558 HydrophobicContact CE2-CG1 4.08Å; Y446-I558 HydrophobicContact CE2-CG2 3.88Å; Y446-I558 HydrophobicContact CG-CG2 4.13Å |
| 447 | D | 95 | Very high | 94.7 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.6 | 169.4 | -73 | -31.8 | 0 | 0 | 0 | 110.4 | Y325 V436 D437 R438 V462 S463 | Y325-D447 PolarHBondContact OH-OD2 2.86Å; V436-D447 HydrophobicContact CG1-CB 4.16Å; D437-D447 WeakPolarHBondContact O-CA 3.4Å; R438-D447 IonicContact CZ-OD1 3.92Å; R438-D447 IonicContact CZ-OD2 3.93Å; R438-D447 IonicContact NE-OD1 2.78Å; R438-D447 PolarHBondContact NE-OD1 2.85Å; R438-D447 IonicContact NE-OD2 3.82Å; R438-D447 IonicContact NH2-OD1 2.86Å; R438-D447 PolarHBondContact NH2-OD1 2.88Å; R438-D447 IonicContact NH2-OD2 3.78Å; R438-D447 PolarHBondContact NH2-OD2 3.09Å; D447-V462 WeakPolarHBondContact O-CA 3.27Å; D447-S463 PolarHBondContact O-N 2.91Å |
| 448 | V | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.3 | 173.1 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V436 D437 V439 F450 K460 V461 V462 P533 Y534 | V436-V448 WeakPolarHBondContact CA-O 3.15Å; V436-V448 WeakPolarHBondContact CG1-O 3.27Å; D437-V448 PolarHBondContact N-O 3Å; D437-V448 PolarHBondContact O-N 3.38Å; V439-V448 HydrophobicContact CB-CG2 4.49Å; V439-V448 HydrophobicContact CG2-CB 4.33Å; V439-V448 HydrophobicContact CG2-CG2 3.78Å; V448-F450 HydrophobicContact CB-CE2 4.5Å; V448-F450 HydrophobicContact CG1-CE2 3.95Å; V448-F450 HydrophobicContact CG1-CZ 4.1Å; V448-K460 HydrophobicContact CG1-CD 4.41Å; V448-K460 HydrophobicContact CG1-CG 3.78Å; V448-V461 CarbonylContact C-O 3.59Å; V448-V461 WeakPolarHBondContact CA-O 3.34Å; V448-V462 HydrophobicContact CG2-CB 4.49Å; V448-V462 HydrophobicContact CG2-CG2 4.34Å; V448-P533 HydrophobicContact CG2-CB 4.43Å; V448-P533 HydrophobicContact CG2-CG 3.9Å; V448-Y534 HydrophobicContact CB-CE2 4.08Å; V448-Y534 HydrophobicContact CG1-CE2 4.03Å; V448-Y534 HydrophobicContact CG2-CE2 3.95Å |
| 449 | M | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.4 | 176.9 | -59 | 177.9 | -77.3 | 0 | 0 | 110 | Y325 V340 I421 I434 V436 I451 K460 V461 | Y325-M449 HydrophobicContact CD1-SD 4.34Å; Y325-M449 HydrophobicContact CE1-CG 4.48Å; Y325-M449 HydrophobicContact CE1-SD 4.26Å; V340-M449 HydrophobicContact CG1-SD 4.21Å; I421-M449 HydrophobicContact CD1-CE 3.89Å; I421-M449 HydrophobicContact CD1-SD 3.38Å; I421-M449 WeakPolarHBondContact CD1-SD 3.11Å; I421-M449 HydrophobicContact CG1-SD 4.43Å; I434-M449 HydrophobicContact CD1-CB 4.39Å; I434-M449 HydrophobicContact CD1-CG 4.35Å; I434-M449 HydrophobicContact CD1-SD 4.24Å; V436-M449 HydrophobicContact CG1-CG 4.03Å; V436-M449 HydrophobicContact CG2-CG 4.01Å; M449-I451 HydrophobicContact CB-CD1 4.35Å; M449-I451 HydrophobicContact CB-CG1 4.19Å; M449-K460 WeakPolarHBondContact O-CA 3.41Å; M449-V461 HydrophobicContact CB-CB 4.4Å; M449-V461 HydrophobicContact CE-CB 4.04Å; M449-V461 HydrophobicContact CE-CG1 3.7Å; M449-V461 PolarHBondContact N-O 2.96Å; M449-V461 PolarHBondContact O-N 2.95Å |
| 450 | F | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.1 | 166.7 | -61.8 | -92.4 | 0 | 0 | 0 | 108.1 | I434 V435 V448 V458 L459 K460 M492 I494 L501 L514 Y534 | I434-F450 WeakPolarHBondContact CA-O 3.42Å; V435-F450 HydrophobicContact CG2-CB 3.85Å; V435-F450 HydrophobicContact CG2-CD2 4.4Å; V435-F450 PolarHBondContact N-O 2.86Å; V435-F450 PolarHBondContact O-N 2.68Å; V448-F450 HydrophobicContact CB-CE2 4.5Å; V448-F450 HydrophobicContact CG1-CE2 3.95Å; V448-F450 HydrophobicContact CG1-CZ 4.1Å; F450-V458 HydrophobicContact CB-CG1 4.3Å; F450-V458 HydrophobicContact CD1-CG1 4.37Å; F450-L459 CarbonylContact C-O 3.6Å; F450-L459 WeakPolarHBondContact CA-O 3.31Å; F450-K460 HydrophobicContact CD1-CB 4.37Å; F450-K460 HydrophobicContact CD1-CG 4.21Å; F450-K460 HydrophobicContact CE1-CB 4.3Å; F450-K460 HydrophobicContact CE1-CD 3.93Å; F450-K460 HydrophobicContact CE1-CG 3.77Å; F450-K460 HydrophobicContact CZ-CD 4.3Å; F450-K460 HydrophobicContact CZ-CG 4.23Å; F450-M492 HydrophobicContact CB-CE 3.96Å; F450-I494 HydrophobicContact CD2-CD1 4.32Å; F450-I494 HydrophobicContact CE2-CD1 4.21Å; F450-L501 HydrophobicContact CB-CD2 3.94Å; F450-L501 HydrophobicContact CD1-CD2 3.89Å; F450-L501 HydrophobicContact CG-CD2 4.05Å; F450-L514 HydrophobicContact CE1-CD2 4.28Å; F450-L514 HydrophobicContact CE2-CD2 3.9Å; F450-L514 HydrophobicContact CZ-CB 4.07Å; F450-L514 HydrophobicContact CZ-CD2 3.73Å; F450-L514 HydrophobicContact CZ-CG 4.46Å; F450-Y534 HydrophobicContact CZ-CE2 4.21Å |
| 451 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.3 | -172.6 | -54.8 | 168.7 | 0 | 0 | 0 | 109.1 | V340 M422 F431 Q433 I434 M449 V458 L459 V461 | V340-I451 HydrophobicContact CG2-CD1 3.88Å; M422-I451 HydrophobicContact SD-CD1 3.55Å; M422-I451 VanDerWaalsContact SD-CD1 3.55Å; F431-I451 HydrophobicContact CB-CG2 3.85Å; F431-I451 HydrophobicContact CD1-CG2 3.7Å; F431-I451 HydrophobicContact CD2-CG2 3.87Å; F431-I451 HydrophobicContact CE1-CG2 4.17Å; F431-I451 HydrophobicContact CE2-CD1 4.28Å; F431-I451 HydrophobicContact CE2-CG2 4.33Å; F431-I451 HydrophobicContact CG-CG2 3.54Å; F431-I451 HydrophobicContact CZ-CD1 4.5Å; F431-I451 HydrophobicContact CZ-CG2 4.45Å; Q433-I451 CarbonylContact O-C 3.55Å; Q433-I451 WeakPolarHBondContact O-CA 3.45Å; I434-I451 HydrophobicContact CD1-CG1 4.19Å; I434-I451 HydrophobicContact CG1-CG1 4.22Å; M449-I451 HydrophobicContact CB-CD1 4.35Å; M449-I451 HydrophobicContact CB-CG1 4.19Å; I451-V458 CarbonylContact O-C 3.5Å; I451-V458 WeakPolarHBondContact O-CA 3.44Å; I451-L459 HydrophobicContact CB-CB 4.28Å; I451-L459 PolarHBondContact N-O 2.73Å; I451-L459 PolarHBondContact O-N 3.06Å; I451-V461 HydrophobicContact CD1-CG2 4.35Å |
| 452 | G | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 154.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F431 T432 Q433 M492 | F431-G452 WeakPolarHBondContact CA-O 3.25Å; T432-G452 PolarHBondContact N-O 3.03Å; T432-G452 PolarHBondContact OG1-O 2.87Å; Q433-G452 PolarHBondContact O-N 2.71Å; G452-M492 PolarHBondContact N-SD 2.99Å; G452-M492 VanDerWaalsContact N-SD 3.4Å |
| 453 | T | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 166.4 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | Y429 Q430 I455 G456 T457 L459 I489 | Y429-T453 HydrophobicContact CD2-CG2 3.58Å; Y429-T453 HydrophobicContact CE2-CG2 3.88Å; Y429-T453 HydrophobicContact CG-CG2 4.22Å; Q430-T453 CarbonylContact O-C 3.41Å; Q430-T453 WeakPolarHBondContact O-CA 3.19Å; T453-I455 PolarHBondContact O-N 3.06Å; T453-I455 VanDerWaalsContact OG1-CG1 3.32Å; T453-I455 WeakPolarHBondContact OG1-CG1 3.48Å; T453-I455 PolarHBondContact OG1-N 3.26Å; T453-G456 PolarHBondContact O-N 3.33Å; T453-G456 PolarHBondContact OG1-N 3.03Å; T453-T457 VanDerWaalsContact CG2-OG1 3.28Å; T453-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T453-T457 PolarHBondContact N-O 2.82Å; T453-T457 PolarHBondContact OG1-N 3.48Å; T453-T457 PolarHBondContact OG1-O 3.33Å; T453-T457 PolarHBondContact OG1-OG1 2.85Å; T453-L459 HydrophobicContact CG2-CG 4.49Å; T453-I489 PolarHBondContact O-N 3.39Å |
| 454 | D | 96.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 13.2 Ų | 13.2 | 20% | 0.203 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.1 | 174.3 | 67.7 | -21.5 | 0 | 0 | 0 | 114.1 | Y429 Q430 T432 V488 | Y429-D454 WeakPolarHBondContact CA-OD1 3.44Å; Y429-D454 WeakPolarHBondContact CB-OD1 3.27Å; Q430-D454 PolarHBondContact N-OD1 3.12Å; Q430-D454 PolarHBondContact O-N 3.32Å; T432-D454 HydrophobicContact CG2-CB 3.96Å; D454-V488 HydrophobicContact CB-CG2 4.1Å; D454-V488 WeakPolarHBondContact O-CA 3.42Å; D454-V488 WeakPolarHBondContact O-CG2 3.03Å; D454-V488 PolarHBondContact O-N 2.83Å |
| 455 | I | 95.9 | Very high | 95.5 | Very high | 49 Ų | 49 | 12.6 Ų | 12.6 | 25% | 0.251 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 5.4 | 178.1 | 64.3 | 164.6 | 0 | 0 | 0 | 114 | Y429 T453 T457 P486 T487 | Y429-I455 HydrophobicContact CD1-CD1 3.64Å; Y429-I455 HydrophobicContact CD1-CG1 4.36Å; Y429-I455 HydrophobicContact CG-CD1 4Å; Y429-I455 HydrophobicContact CG-CG1 4.24Å; T453-I455 PolarHBondContact O-N 3.06Å; T453-I455 VanDerWaalsContact OG1-CG1 3.32Å; T453-I455 WeakPolarHBondContact OG1-CG1 3.48Å; T453-I455 PolarHBondContact OG1-N 3.26Å; I455-T457 HydrophobicContact CD1-CG2 4.09Å; I455-T457 HydrophobicContact CG1-CG2 4.16Å; I455-P486 HydrophobicContact CB-CB 4.49Å; I455-P486 VanDerWaalsContact O-CA 3.3Å; I455-P486 WeakPolarHBondContact O-CA 3.44Å; I455-T487 CarbonylContact C-O 3.55Å |
| 456 | G | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 86 | 27.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T453 V482 T487 | T453-G456 PolarHBondContact O-N 3.33Å; T453-G456 PolarHBondContact OG1-N 3.03Å; G456-V482 VanDerWaalsContact O-CG2 3.24Å; G456-V482 WeakPolarHBondContact O-CG2 3.38Å; G456-V482 PolarHBondContact O-N 2.85Å; G456-T487 WeakPolarHBondContact CA-O 3.49Å; G456-T487 PolarHBondContact N-O 2.89Å |
| 457 | T | 97.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 149.2 | 173.5 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | T453 I455 M480 I489 | T453-T457 VanDerWaalsContact CG2-OG1 3.28Å; T453-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T453-T457 PolarHBondContact N-O 2.82Å; T453-T457 PolarHBondContact OG1-N 3.48Å; T453-T457 PolarHBondContact OG1-O 3.33Å; T453-T457 PolarHBondContact OG1-OG1 2.85Å; I455-T457 HydrophobicContact CD1-CG2 4.09Å; I455-T457 HydrophobicContact CG1-CG2 4.16Å; T457-M480 CarbonylContact C-O 3.6Å; T457-M480 WeakPolarHBondContact CA-O 3.45Å; T457-I489 WeakPolarHBondContact O-CD1 3.16Å |
| 458 | V | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.6 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | F450 I451 M480 V482 I489 M492 L501 I503 L512 | F450-V458 HydrophobicContact CB-CG1 4.3Å; F450-V458 HydrophobicContact CD1-CG1 4.37Å; I451-V458 CarbonylContact O-C 3.5Å; I451-V458 WeakPolarHBondContact O-CA 3.44Å; V458-M480 HydrophobicContact CB-CE 4.31Å; V458-M480 HydrophobicContact CG1-CE 4.06Å; V458-M480 PolarHBondContact N-O 2.79Å; V458-M480 PolarHBondContact O-N 3.29Å; V458-V482 HydrophobicContact CB-CG1 4.4Å; V458-V482 HydrophobicContact CG2-CG1 3.86Å; V458-V482 HydrophobicContact CG2-CG2 4.25Å; V458-I489 HydrophobicContact CG2-CD1 3.71Å; V458-M492 HydrophobicContact CG1-CE 4.25Å; V458-M492 HydrophobicContact CG2-CE 4.42Å; V458-L501 HydrophobicContact CG1-CD2 4.13Å; V458-I503 HydrophobicContact CG2-CD1 3.6Å; V458-I503 HydrophobicContact CG2-CG1 4.44Å; V458-L512 HydrophobicContact CG2-CD2 4.49Å |
| 459 | L | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.9 | 172.3 | -54 | -176.5 | 0 | 0 | 0 | 109.3 | M422 Y429 F431 F450 I451 T453 V461 L476 E478 E479 | M422-L459 HydrophobicContact CE-CD1 4.34Å; Y429-L459 HydrophobicContact CE2-CD1 4.15Å; F431-L459 HydrophobicContact CD1-CD1 4.37Å; F431-L459 HydrophobicContact CE1-CD1 3.48Å; F431-L459 VanDerWaalsContact CE1-CD1 3.48Å; F431-L459 HydrophobicContact CZ-CD1 4.02Å; F450-L459 CarbonylContact C-O 3.6Å; F450-L459 WeakPolarHBondContact CA-O 3.31Å; I451-L459 HydrophobicContact CB-CB 4.28Å; I451-L459 PolarHBondContact N-O 2.73Å; I451-L459 PolarHBondContact O-N 3.06Å; T453-L459 HydrophobicContact CG2-CG 4.49Å; L459-V461 HydrophobicContact CB-CG2 4.3Å; L459-L476 HydrophobicContact CB-CD1 3.73Å; L459-L476 HydrophobicContact CD1-CD1 4.45Å; L459-L476 HydrophobicContact CD2-CD1 4.13Å; L459-L476 HydrophobicContact CG-CD1 4.32Å; L459-E478 WeakPolarHBondContact CA-O 3.49Å; L459-E479 HydrophobicContact CD2-CB 3.88Å; L459-E479 HydrophobicContact CD2-CG 3.69Å |
| 460 | K | 98.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116.7 | 169.4 | -172.6 | -175.8 | 178.6 | 178.7 | 0 | 109.1 | V448 M449 F450 L477 E478 M480 L514 D532 | V448-K460 HydrophobicContact CG1-CD 4.41Å; V448-K460 HydrophobicContact CG1-CG 3.78Å; M449-K460 WeakPolarHBondContact O-CA 3.41Å; F450-K460 HydrophobicContact CD1-CB 4.37Å; F450-K460 HydrophobicContact CD1-CG 4.21Å; F450-K460 HydrophobicContact CE1-CB 4.3Å; F450-K460 HydrophobicContact CE1-CD 3.93Å; F450-K460 HydrophobicContact CE1-CG 3.77Å; F450-K460 HydrophobicContact CZ-CD 4.3Å; F450-K460 HydrophobicContact CZ-CG 4.23Å; K460-L477 HydrophobicContact CD-CD1 4.31Å; K460-L477 HydrophobicContact CG-CD1 4.4Å; K460-L477 WeakPolarHBondContact O-CB 3.45Å; K460-L477 PolarHBondContact O-N 3.29Å; K460-E478 HydrophobicContact CB-CB 4.01Å; K460-E478 HydrophobicContact CB-CG 4.41Å; K460-E478 VanDerWaalsContact CD-CD 3.41Å; K460-E478 HydrophobicContact CD-CG 4.43Å; K460-E478 WeakPolarHBondContact CD-OE1 3.46Å; K460-E478 WeakPolarHBondContact CD-OE2 3.27Å; K460-E478 PolarHBondContact N-O 3.17Å; K460-E478 IonicContact NZ-OE1 3.89Å; K460-E478 PolarHBondContact O-N 3.14Å; K460-M480 HydrophobicContact CB-CE 4.15Å; K460-L514 PolarHBondContact NZ-O 3.32Å; K460-D532 IonicContact NZ-OD1 2.63Å; K460-D532 PolarHBondContact NZ-OD1 2.93Å; K460-D532 IonicContact NZ-OD2 3.76Å; K460-D532 PolarHBondContact NZ-OD2 3.36Å |
| 461 | V | 96.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.9 | -173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | M422 V448 M449 I451 L459 E474 V475 L476 | M422-V461 HydrophobicContact CE-CG2 3.79Å; M422-V461 HydrophobicContact SD-CG1 4.28Å; M422-V461 HydrophobicContact SD-CG2 3.88Å; V448-V461 CarbonylContact C-O 3.59Å; V448-V461 WeakPolarHBondContact CA-O 3.34Å; M449-V461 HydrophobicContact CB-CB 4.4Å; M449-V461 HydrophobicContact CE-CB 4.04Å; M449-V461 HydrophobicContact CE-CG1 3.7Å; M449-V461 PolarHBondContact N-O 2.96Å; M449-V461 PolarHBondContact O-N 2.95Å; I451-V461 HydrophobicContact CD1-CG2 4.35Å; L459-V461 HydrophobicContact CB-CG2 4.3Å; V461-E474 HydrophobicContact CG1-CB 4.08Å; V461-V475 WeakPolarHBondContact CA-O 3.37Å; V461-L476 HydrophobicContact CG2-CB 4.46Å; V461-L476 HydrophobicContact CG2-CD1 3.5Å |
| 462 | V | 95.3 | Very high | 86 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.3 | 171.1 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | Y446 D447 V448 I464 V475 L477 P533 | Y446-V462 HydrophobicContact CD1-CG2 4.13Å; Y446-V462 HydrophobicContact CG-CG2 4.34Å; D447-V462 WeakPolarHBondContact O-CA 3.27Å; V448-V462 HydrophobicContact CG2-CB 4.49Å; V448-V462 HydrophobicContact CG2-CG2 4.34Å; V462-I464 HydrophobicContact CB-CG1 4.5Å; V462-I464 HydrophobicContact CG1-CD1 3.76Å; V462-I464 HydrophobicContact CG1-CG1 3.93Å; V462-I464 HydrophobicContact CG2-CD1 4.49Å; V462-I464 HydrophobicContact CG2-CG1 3.92Å; V462-V475 HydrophobicContact CG1-CB 3.79Å; V462-V475 PolarHBondContact N-O 2.92Å; V462-V475 PolarHBondContact O-N 2.92Å; V462-L477 HydrophobicContact CB-CD1 4.2Å; V462-L477 HydrophobicContact CG1-CD1 4.04Å; V462-L477 HydrophobicContact CG1-CD2 3.88Å; V462-L477 HydrophobicContact CG1-CG 4.02Å; V462-P533 HydrophobicContact CB-CG 4.5Å; V462-P533 HydrophobicContact CG2-CG 3.69Å |
| 463 | S | 91.9 | Very high | 85.4 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.6 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | D447 L472 | D447-S463 PolarHBondContact O-N 2.91Å; S463-L472 WeakPolarHBondContact OG-CD1 3.3Å |
| 464 | I | 88.9 | Confident | 85 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.9 | -171.6 | -60.9 | 178.5 | 0 | 0 | 0 | 110.1 | Y446 V462 K466 L472 E473 V475 R531 I558 R559 | Y446-I464 HydrophobicContact CD1-CG1 4.2Å; Y446-I464 HydrophobicContact CE1-CB 4.36Å; Y446-I464 HydrophobicContact CE1-CG1 4.09Å; Y446-I464 HydrophobicContact CE1-CG2 4.18Å; V462-I464 HydrophobicContact CB-CG1 4.5Å; V462-I464 HydrophobicContact CG1-CD1 3.76Å; V462-I464 HydrophobicContact CG1-CG1 3.93Å; V462-I464 HydrophobicContact CG2-CD1 4.49Å; V462-I464 HydrophobicContact CG2-CG1 3.92Å; I464-K466 PolarHBondContact O-N 3.06Å; I464-L472 CarbonylContact O-C 3.6Å; I464-L472 WeakPolarHBondContact O-CA 3.08Å; I464-E473 PolarHBondContact N-O 2.91Å; I464-E473 PolarHBondContact O-N 3.45Å; I464-V475 HydrophobicContact CD1-CB 4.3Å; I464-V475 HydrophobicContact CD1-CG2 3.75Å; I464-V475 HydrophobicContact CG1-CG2 4.4Å; I464-R531 VanDerWaalsContact CD1-NH2 3.29Å; I464-I558 HydrophobicContact CD1-CG2 3.84Å; I464-I558 WeakPolarHBondContact CD1-O 2.99Å; I464-I558 HydrophobicContact CG1-CG2 4.12Å; I464-R559 HydrophobicContact CG2-CG 4.31Å |
| 465 | P | 82.9 | Confident | 84.7 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 128.4 | 172.1 | -16.6 | 29.4 | 0 | 0 | 0 | 111.9 | W469 L472 | P465-W469 HydrophobicContact CB-CD2 4.48Å; P465-W469 HydrophobicContact CB-CE3 4.02Å; P465-W469 HydrophobicContact CB-CZ3 4.38Å; P465-W469 HydrophobicContact CG-CD2 4.37Å; P465-W469 HydrophobicContact CG-CE3 3.47Å; P465-W469 VanDerWaalsContact CG-CE3 3.47Å; P465-W469 HydrophobicContact CG-CH2 4.4Å; P465-W469 HydrophobicContact CG-CZ3 3.5Å; P465-W469 VanDerWaalsContact CG-CZ3 3.5Å; P465-L472 HydrophobicContact CG-CD2 4.37Å |
| 466 | K | 75.1 | Confident | 84.7 | Confident | 85 Ų | 85 | 43.5 Ų | 43.5 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | trans | -73.8 | -99.8 | 175.7 | -69.3 | -169.8 | 175.8 | -174.2 | 0 | 111.6 | I464 E471 E473 R559 | I464-K466 PolarHBondContact O-N 3.06Å; K466-E471 HydrophobicContact CB-CB 4.37Å; K466-E471 PolarHBondContact N-O 3.18Å; K466-E473 HydrophobicContact CD-CB 4.25Å; K466-E473 HydrophobicContact CG-CB 3.7Å; K466-R559 PolarHBondContact O-NE 2.88Å; K466-R559 PolarHBondContact O-NH2 3.18Å | ||
| 467 | E | 67.1 | Low | 84.6 | Confident | 171 Ų | 171 | 43.5 Ų | 43.5 | 80% | 0.799 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -95.7 | -38.9 | -179.6 | -63.6 | -170.7 | 170.9 | 0 | 0 | 111.5 | ||
| 468 | T | 62.5 | Low | 84.6 | Confident | 67 Ų | 67 | 43.2 Ų | 43.2 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -119.4 | 155.4 | 174.7 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | H470 E471 | T468-H470 PolarHBondContact O-N 2.88Å; T468-H470 PolarHBondContact OG1-N 3.3Å; T468-E471 PolarHBondContact O-N 3.12Å |
| 469 | W | 60.4 | Low | 84.5 | Confident | 190 Ų | 190 | 43.9 Ų | 43.9 | 72% | 0.72 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10.7 | 174 | -65.5 | 99.3 | 0 | 0 | 0 | 114.1 | P465 | P465-W469 HydrophobicContact CB-CD2 4.48Å; P465-W469 HydrophobicContact CB-CE3 4.02Å; P465-W469 HydrophobicContact CB-CZ3 4.38Å; P465-W469 HydrophobicContact CG-CD2 4.37Å; P465-W469 HydrophobicContact CG-CE3 3.47Å; P465-W469 VanDerWaalsContact CG-CE3 3.47Å; P465-W469 HydrophobicContact CG-CH2 4.4Å; P465-W469 HydrophobicContact CG-CZ3 3.5Å; P465-W469 VanDerWaalsContact CG-CZ3 3.5Å |
| 470 | H | 59.3 | Low | 84.4 | Confident | 129 Ų | 129 | 43.9 Ų | 43.9 | 60% | 0.597 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.4 | 179.3 | -54.6 | 90.2 | 0 | 0 | 0 | 112.7 | N417 R419 T468 | N417-H470 PolarHBondContact ND2-O 3.09Å; R419-H470 PolarHBondContact NH2-O 2.89Å; R419-H470 VanDerWaalsContact NH2-O 3.14Å; T468-H470 PolarHBondContact O-N 2.88Å; T468-H470 PolarHBondContact OG1-N 3.3Å |
| 471 | E | 70 | Confident | 84.4 | Confident | 90 Ų | 90 | 45.6 Ų | 45.6 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | trans | -113.9 | 102.7 | 175.7 | -69.7 | -171 | 179.3 | 0 | 0 | 110.1 | K466 T468 | K466-E471 HydrophobicContact CB-CB 4.37Å; K466-E471 PolarHBondContact N-O 3.18Å; T468-E471 PolarHBondContact O-N 3.12Å | ||
| 472 | L | 79.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.7 | 178.8 | -59.4 | 169.9 | 0 | 0 | 0 | 109.9 | S463 I464 P465 | S463-L472 WeakPolarHBondContact OG-CD1 3.3Å; I464-L472 CarbonylContact O-C 3.6Å; I464-L472 WeakPolarHBondContact O-CA 3.08Å; P465-L472 HydrophobicContact CG-CD2 4.37Å |
| 473 | E | 85.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.1 | 165.1 | -177 | -177 | 143.9 | 0 | 0 | 108.5 | N27 I464 K466 V475 R531 | N27-E473 PolarHBondContact ND2-OE1 2.58Å; I464-E473 PolarHBondContact N-O 2.91Å; I464-E473 PolarHBondContact O-N 3.45Å; K466-E473 HydrophobicContact CD-CB 4.25Å; K466-E473 HydrophobicContact CG-CB 3.7Å; E473-V475 HydrophobicContact CG-CG2 3.96Å; E473-V475 WeakPolarHBondContact OE1-CG2 3.22Å; E473-R531 IonicContact OE1-CZ 2.74Å; E473-R531 IonicContact OE1-NH1 2.82Å; E473-R531 PolarHBondContact OE1-NH1 2.82Å; E473-R531 VanDerWaalsContact OE1-NH1 3.12Å; E473-R531 IonicContact OE1-NH2 2.75Å |
| 474 | E | 87.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.9 | 168.6 | 71.9 | -76.5 | -161.6 | 0 | 0 | 110.7 | M422 V461 | M422-E474 HydrophobicContact CG-CG 4.33Å; V461-E474 HydrophobicContact CG1-CB 4.08Å |
| 475 | V | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 108 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | V461 V462 I464 E473 L477 | V461-V475 WeakPolarHBondContact CA-O 3.37Å; V462-V475 HydrophobicContact CG1-CB 3.79Å; V462-V475 PolarHBondContact N-O 2.92Å; V462-V475 PolarHBondContact O-N 2.92Å; I464-V475 HydrophobicContact CD1-CB 4.3Å; I464-V475 HydrophobicContact CD1-CG2 3.75Å; I464-V475 HydrophobicContact CG1-CG2 4.4Å; E473-V475 HydrophobicContact CG-CG2 3.96Å; E473-V475 WeakPolarHBondContact OE1-CG2 3.22Å; V475-L477 HydrophobicContact CG1-CD2 4.06Å; V475-L477 PolarHBondContact O-N 2.76Å; V475-L477 VanDerWaalsContact O-N 3.16Å |
| 476 | L | 94.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 100.7 | 176.7 | -178.9 | 60.6 | 0 | 0 | 0 | 110.9 | P30 R31 L459 V461 R604 | P30-L476 WeakPolarHBondContact CA-O 3.48Å; P30-L476 HydrophobicContact CB-CD2 3.74Å; P30-L476 HydrophobicContact CB-CG 3.79Å; P30-L476 HydrophobicContact CG-CD2 4.17Å; R31-L476 PolarHBondContact N-O 2.68Å; L459-L476 HydrophobicContact CB-CD1 3.73Å; L459-L476 HydrophobicContact CD1-CD1 4.45Å; L459-L476 HydrophobicContact CD2-CD1 4.13Å; L459-L476 HydrophobicContact CG-CD1 4.32Å; V461-L476 HydrophobicContact CG2-CB 4.46Å; V461-L476 HydrophobicContact CG2-CD1 3.5Å; L476-R604 VanDerWaalsContact N-NH2 3.14Å; L476-R604 PolarHBondContact O-NH2 2.83Å |
| 477 | L | 95.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -48.6 | -177.2 | -56.7 | -178.7 | 0 | 0 | 0 | 110.8 | R31 L32 K460 V462 V475 A530 D532 | R31-L477 VanDerWaalsContact CB-O 3.31Å; R31-L477 WeakPolarHBondContact CB-O 3.34Å; R31-L477 PolarHBondContact N-O 3.41Å; L32-L477 PolarHBondContact N-O 3.47Å; K460-L477 HydrophobicContact CD-CD1 4.31Å; K460-L477 HydrophobicContact CG-CD1 4.4Å; K460-L477 WeakPolarHBondContact O-CB 3.45Å; K460-L477 PolarHBondContact O-N 3.29Å; V462-L477 HydrophobicContact CB-CD1 4.2Å; V462-L477 HydrophobicContact CG1-CD1 4.04Å; V462-L477 HydrophobicContact CG1-CD2 3.88Å; V462-L477 HydrophobicContact CG1-CG 4.02Å; V475-L477 HydrophobicContact CG1-CD2 4.06Å; V475-L477 PolarHBondContact O-N 2.76Å; V475-L477 VanDerWaalsContact O-N 3.16Å; L477-A530 WeakPolarHBondContact CD2-O 3.49Å; L477-D532 HydrophobicContact CD1-CB 4.01Å |
| 478 | E | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.9 | -168.2 | -54.3 | 154.3 | -177.4 | 0 | 0 | 111.8 | L32 L459 K460 M480 R516 Y520 | L32-E478 CarbonylContact O-C 3.59Å; L32-E478 VanDerWaalsContact O-CA 3.26Å; L32-E478 WeakPolarHBondContact O-CA 3.47Å; L459-E478 WeakPolarHBondContact CA-O 3.49Å; K460-E478 HydrophobicContact CB-CB 4.01Å; K460-E478 HydrophobicContact CB-CG 4.41Å; K460-E478 VanDerWaalsContact CD-CD 3.41Å; K460-E478 HydrophobicContact CD-CG 4.43Å; K460-E478 WeakPolarHBondContact CD-OE1 3.46Å; K460-E478 WeakPolarHBondContact CD-OE2 3.27Å; K460-E478 PolarHBondContact N-O 3.17Å; K460-E478 IonicContact NZ-OE1 3.89Å; K460-E478 PolarHBondContact O-N 3.14Å; E478-M480 HydrophobicContact CB-CE 4.28Å; E478-M480 HydrophobicContact CB-CG 4.34Å; E478-M480 WeakPolarHBondContact OE2-CE 3.39Å; E478-R516 IonicContact OE1-CZ 3.43Å; E478-R516 IonicContact OE1-NH1 2.72Å; E478-R516 PolarHBondContact OE1-NH1 3.27Å; E478-R516 IonicContact OE1-NH2 2.69Å; E478-R516 PolarHBondContact OE1-NH2 3.34Å; E478-R516 IonicContact OE2-CZ 3.08Å; E478-R516 IonicContact OE2-NH1 3.64Å; E478-R516 PolarHBondContact OE2-NH1 3.1Å; E478-R516 IonicContact OE2-NH2 3.73Å; E478-R516 PolarHBondContact OE2-NH2 2.87Å; E478-Y520 PolarHBondContact OE1-OH 3.32Å |
| 479 | E | 96.5 | Very high | 89 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.1 | 165.5 | 178.7 | 177.7 | 129.5 | 0 | 0 | 108.4 | P30 L32 K33 L34 L459 | P30-E479 HydrophobicContact CB-CB 3.82Å; P30-E479 HydrophobicContact CG-CB 3.9Å; L32-E479 PolarHBondContact O-N 3.03Å; K33-E479 WeakPolarHBondContact CA-O 3.29Å; K33-E479 WeakPolarHBondContact CE-OE1 3.34Å; K33-E479 HydrophobicContact CG-CB 4.47Å; K33-E479 IonicContact NZ-OE1 2.58Å; K33-E479 PolarHBondContact NZ-OE1 3.21Å; L34-E479 PolarHBondContact N-O 3.15Å; L459-E479 HydrophobicContact CD2-CB 3.88Å; L459-E479 HydrophobicContact CD2-CG 3.69Å |
| 480 | M | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124 | -172.3 | -65.4 | 168.9 | -77.1 | 0 | 0 | 111 | L34 M39 T457 V458 K460 E478 | L34-M480 HydrophobicContact CB-CG 4.35Å; L34-M480 HydrophobicContact CD1-CG 4.11Å; M39-M480 HydrophobicContact CE-CB 4.29Å; M39-M480 HydrophobicContact CE-CG 4.2Å; M39-M480 HydrophobicContact CE-SD 4Å; M39-M480 HydrophobicContact SD-CB 4.31Å; M39-M480 HydrophobicContact SD-CG 4.05Å; M39-M480 HydrophobicContact SD-SD 4.46Å; T457-M480 CarbonylContact C-O 3.6Å; T457-M480 WeakPolarHBondContact CA-O 3.45Å; V458-M480 HydrophobicContact CB-CE 4.31Å; V458-M480 HydrophobicContact CG1-CE 4.06Å; V458-M480 PolarHBondContact N-O 2.79Å; V458-M480 PolarHBondContact O-N 3.29Å; K460-M480 HydrophobicContact CB-CE 4.15Å; E478-M480 HydrophobicContact CB-CE 4.28Å; E478-M480 HydrophobicContact CB-CG 4.34Å; E478-M480 WeakPolarHBondContact OE2-CE 3.39Å |
| 481 | T | 96.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 114.7 | 173 | -51.2 | 0 | 0 | 0 | 0 | 110 | L34 F483 | L34-T481 PolarHBondContact O-N 3.15Å; T481-F483 WeakPolarHBondContact CG2-O 3.45Å |
| 482 | V | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -99.1 | -23.6 | -170.7 | -64 | 0 | 0 | 0 | 0 | 113.9 | Y36 I45 N47 G456 V458 I489 I503 L512 | Y36-V482 WeakPolarHBondContact CE2-O 3.23Å; I45-V482 HydrophobicContact CD1-CB 3.74Å; I45-V482 HydrophobicContact CD1-CG1 4.06Å; I45-V482 WeakPolarHBondContact CD1-O 3.5Å; N47-V482 PolarHBondContact ND2-O 2.83Å; G456-V482 VanDerWaalsContact O-CG2 3.24Å; G456-V482 WeakPolarHBondContact O-CG2 3.38Å; G456-V482 PolarHBondContact O-N 2.85Å; V458-V482 HydrophobicContact CB-CG1 4.4Å; V458-V482 HydrophobicContact CG2-CG1 3.86Å; V458-V482 HydrophobicContact CG2-CG2 4.25Å; V482-I489 HydrophobicContact CG2-CD1 3.9Å; V482-I489 HydrophobicContact CG2-CG1 4.45Å; V482-I503 HydrophobicContact CB-CD1 4.4Å; V482-I503 HydrophobicContact CG1-CD1 3.98Å; V482-I503 HydrophobicContact CG2-CD1 4.33Å; V482-I503 HydrophobicContact CG2-CG2 4.42Å; V482-L512 HydrophobicContact CG1-CD2 3.7Å | ||
| 483 | F | 93.5 | Very high | 94.8 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -112.9 | 148.4 | 175.1 | -65.6 | -69.9 | 0 | 0 | 0 | 111.4 | T481 E485 T487 I489 I503 S505 S510 | T481-F483 WeakPolarHBondContact CG2-O 3.45Å; F483-E485 VanDerWaalsContact C-N 3.31Å; F483-E485 PolarHBondContact O-N 2.83Å; F483-T487 WeakPolarHBondContact CB-OG1 3.32Å; F483-T487 WeakPolarHBondContact CD2-OG1 3.37Å; F483-T487 WeakPolarHBondContact CG-OG1 3.45Å; F483-I489 HydrophobicContact CE2-CG1 4.18Å; F483-I503 HydrophobicContact CE2-CG2 3.98Å; F483-I503 HydrophobicContact CZ-CG2 4.24Å; F483-S505 WeakPolarHBondContact CE1-OG 3.22Å; F483-S505 VanDerWaalsContact CE2-CB 3.49Å; F483-S505 WeakPolarHBondContact CZ-OG 3.07Å; F483-S510 WeakPolarHBondContact CE1-OG 3.38Å; F483-S510 WeakPolarHBondContact CZ-OG 3.29Å |
| 484 | R | 91.4 | Very high | 95.4 | Very high | 205 Ų | 205 | 38.7 Ų | 38.7 | 77% | 0.774 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -63.5 | -39.5 | 179.2 | -177.8 | -179.7 | -179 | 174.3 | 1.4 | 112.2 | Y36 | Y36-R484 HydrophobicContact CD1-CB 4.15Å; Y36-R484 HydrophobicContact CD1-CG 4.37Å; Y36-R484 HydrophobicContact CE1-CB 3.89Å; Y36-R484 HydrophobicContact CE1-CG 4.27Å; Y36-R484 HydrophobicContact CE2-CB 4.27Å; Y36-R484 HydrophobicContact CG-CB 4.49Å |
| 485 | E | 91.8 | Very high | 95.8 | Very high | 130 Ų | 130 | 36.3 Ų | 36.3 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -109.2 | 143.2 | 178.3 | -66.6 | -179.2 | -175.7 | 0 | 0 | 109.3 | F483 T487 | F483-E485 VanDerWaalsContact C-N 3.31Å; F483-E485 PolarHBondContact O-N 2.83Å; E485-T487 WeakPolarHBondContact O-CG2 3.15Å; E485-T487 PolarHBondContact O-N 2.8Å; E485-T487 PolarHBondContact O-OG1 2.86Å; E485-T487 VanDerWaalsContact O-OG1 3.1Å |
| 486 | P | 94.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 39.3 Ų | 39.3 | 71% | 0.714 | 20% | 0.202 | S | C | * | . | trans | -57.8 | 113.1 | 177.3 | -24 | 33.7 | 0 | 0 | 0 | 110.8 | I455 | I455-P486 HydrophobicContact CB-CB 4.49Å; I455-P486 VanDerWaalsContact O-CA 3.3Å; I455-P486 WeakPolarHBondContact O-CA 3.44Å | ||
| 487 | T | 95.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | trans | -144.2 | 137.3 | -173.9 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | I455 G456 F483 E485 I489 V506 T507 | I455-T487 CarbonylContact C-O 3.55Å; G456-T487 WeakPolarHBondContact CA-O 3.49Å; G456-T487 PolarHBondContact N-O 2.89Å; F483-T487 WeakPolarHBondContact CB-OG1 3.32Å; F483-T487 WeakPolarHBondContact CD2-OG1 3.37Å; F483-T487 WeakPolarHBondContact CG-OG1 3.45Å; E485-T487 WeakPolarHBondContact O-CG2 3.15Å; E485-T487 PolarHBondContact O-N 2.8Å; E485-T487 PolarHBondContact O-OG1 2.86Å; E485-T487 VanDerWaalsContact O-OG1 3.1Å; T487-I489 PolarHBondContact O-N 3.38Å; T487-V506 HydrophobicContact CG2-CG2 4.45Å; T487-T507 HydrophobicContact CG2-CG2 3.76Å | ||
| 488 | V | 97.1 | Very high | 95.7 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | trans | -58.9 | 126 | -179.6 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | T432 D454 S490 S505 | T432-V488 HydrophobicContact CG2-CG1 4.06Å; D454-V488 HydrophobicContact CB-CG2 4.1Å; D454-V488 WeakPolarHBondContact O-CA 3.42Å; D454-V488 WeakPolarHBondContact O-CG2 3.03Å; D454-V488 PolarHBondContact O-N 2.83Å; V488-S490 PolarHBondContact O-N 3.15Å; V488-S505 WeakPolarHBondContact O-CB 3.47Å | ||
| 489 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.9 | 166.2 | -69.5 | 171.2 | 0 | 0 | 0 | 107.9 | T432 Q433 T453 T457 V458 V482 F483 T487 M492 I503 | T432-I489 VanDerWaalsContact CB-O 3.26Å; T432-I489 WeakPolarHBondContact CB-O 3.3Å; T432-I489 PolarHBondContact OG1-O 2.83Å; Q433-I489 HydrophobicContact CB-CG2 4.2Å; Q433-I489 HydrophobicContact CG-CG2 4.04Å; T453-I489 PolarHBondContact O-N 3.39Å; T457-I489 WeakPolarHBondContact O-CD1 3.16Å; V458-I489 HydrophobicContact CG2-CD1 3.71Å; V482-I489 HydrophobicContact CG2-CD1 3.9Å; V482-I489 HydrophobicContact CG2-CG1 4.45Å; F483-I489 HydrophobicContact CE2-CG1 4.18Å; T487-I489 PolarHBondContact O-N 3.38Å; I489-M492 HydrophobicContact CG2-CG 3.68Å; I489-M492 HydrophobicContact CG2-SD 3.86Å; I489-I503 HydrophobicContact CB-CG2 4.33Å; I489-I503 HydrophobicContact CD1-CG2 4.04Å; I489-I503 HydrophobicContact CG1-CG2 3.82Å; I489-I503 HydrophobicContact CG2-CG2 3.7Å |
| 490 | S | 96.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -10.7 | -171.6 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | H58 V488 G504 S505 | H58-S490 WeakPolarHBondContact CB-OG 3.28Å; V488-S490 PolarHBondContact O-N 3.15Å; S490-G504 PolarHBondContact N-O 3.37Å; S490-G504 PolarHBondContact OG-O 3.2Å; S490-S505 WeakPolarHBondContact OG-CA 3.34Å |
| 491 | A | 97.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H58 F60 I503 G504 | H58-A491 HydrophobicContact CB-CB 4.18Å; H58-A491 VanDerWaalsContact O-CB 3.27Å; H58-A491 WeakPolarHBondContact O-CB 3.3Å; F60-A491 HydrophobicContact CD1-CB 4.11Å; F60-A491 HydrophobicContact CD2-CB 4.08Å; F60-A491 HydrophobicContact CE1-CB 4.21Å; F60-A491 HydrophobicContact CE2-CB 4.18Å; F60-A491 HydrophobicContact CG-CB 4.06Å; F60-A491 HydrophobicContact CZ-CB 4.26Å; A491-I503 WeakPolarHBondContact O-CA 3.17Å; A491-G504 PolarHBondContact N-O 3.26Å; A491-G504 PolarHBondContact O-N 2.83Å |
| 492 | M | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.9 | 171.6 | -67.3 | 178 | 68.7 | 0 | 0 | 110.9 | Q433 V435 F450 G452 V458 I489 L501 Y502 I503 | Q433-M492 HydrophobicContact CB-CB 4.15Å; Q433-M492 HydrophobicContact CB-CG 3.67Å; Q433-M492 HydrophobicContact CB-SD 3.44Å; Q433-M492 WeakPolarHBondContact CB-SD 3.28Å; Q433-M492 HydrophobicContact CG-CG 4.27Å; V435-M492 HydrophobicContact CG1-CB 4Å; V435-M492 HydrophobicContact CG2-CE 4.27Å; F450-M492 HydrophobicContact CB-CE 3.96Å; G452-M492 PolarHBondContact N-SD 2.99Å; G452-M492 VanDerWaalsContact N-SD 3.4Å; V458-M492 HydrophobicContact CG1-CE 4.25Å; V458-M492 HydrophobicContact CG2-CE 4.42Å; I489-M492 HydrophobicContact CG2-CG 3.68Å; I489-M492 HydrophobicContact CG2-SD 3.86Å; M492-L501 HydrophobicContact CE-CD1 4.01Å; M492-L501 HydrophobicContact CE-CD2 3.8Å; M492-L501 HydrophobicContact CE-CG 4.34Å; M492-Y502 CarbonylContact C-O 3.55Å; M492-Y502 WeakPolarHBondContact CA-O 3.33Å; M492-I503 HydrophobicContact CG-CG1 4.29Å |
| 493 | K | 97.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.9 | 170.3 | -73.9 | -63.6 | 178.3 | -169 | 0 | 110.6 | F60 Y502 | F60-K493 HydrophobicContact CB-CG 3.86Å; F60-K493 HydrophobicContact CD2-CB 4.16Å; F60-K493 HydrophobicContact CD2-CG 3.87Å; F60-K493 HydrophobicContact CG-CG 4.4Å; K493-Y502 PolarHBondContact N-O 3.04Å; K493-Y502 PolarHBondContact O-N 3.13Å |
| 494 | I | 97.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135.4 | 177.4 | -175.5 | 162.3 | 0 | 0 | 0 | 109.9 | L62 F312 V435 D437 F450 T496 L501 L514 | L62-I494 WeakPolarHBondContact CD2-O 3.46Å; F312-I494 HydrophobicContact CE2-CG2 4.36Å; V435-I494 HydrophobicContact CB-CB 4.16Å; V435-I494 HydrophobicContact CB-CG2 3.89Å; V435-I494 HydrophobicContact CG1-CG2 4.34Å; V435-I494 HydrophobicContact CG2-CB 3.93Å; V435-I494 HydrophobicContact CG2-CG2 4.23Å; D437-I494 HydrophobicContact CB-CD1 3.74Å; F450-I494 HydrophobicContact CD2-CD1 4.32Å; F450-I494 HydrophobicContact CE2-CD1 4.21Å; I494-T496 HydrophobicContact CD1-CG2 4.33Å; I494-T496 HydrophobicContact CG1-CG2 4.23Å; I494-L501 HydrophobicContact CB-CD1 4.35Å; I494-L514 HydrophobicContact CD1-CD1 3.89Å; I494-L514 HydrophobicContact CD1-CD2 3.77Å; I494-L514 HydrophobicContact CG1-CD1 4.09Å; I494-L514 HydrophobicContact CG1-CD2 3.98Å |
| 495 | S | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 105.4 | 164.2 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | E64 K497 Q498 Q499 Q500 | E64-S495 WeakPolarHBondContact OE1-CA 3.38Å; E64-S495 VanDerWaalsContact OE1-CB 3.27Å; E64-S495 WeakPolarHBondContact OE1-CB 3.4Å; E64-S495 PolarHBondContact OE1-OG 3.37Å; S495-K497 VanDerWaalsContact C-N 3.26Å; S495-Q498 WeakPolarHBondContact OG-CB 3.4Å; S495-Q498 WeakPolarHBondContact OG-CG 3.36Å; S495-Q498 PolarHBondContact OG-N 3.2Å; S495-Q499 VanDerWaalsContact O-CA 3.31Å; S495-Q499 WeakPolarHBondContact O-CA 3.19Å; S495-Q499 PolarHBondContact O-N 2.73Å; S495-Q500 PolarHBondContact N-O 2.97Å; S495-Q500 PolarHBondContact O-N 2.96Å; S495-Q500 VanDerWaalsContact O-N 3.12Å |
| 496 | T | 93.6 | Very high | 96.6 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 39% | 0.393 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -26.2 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | D437 I494 Q499 | D437-T496 WeakPolarHBondContact OD1-CG2 3.29Å; I494-T496 HydrophobicContact CD1-CG2 4.33Å; I494-T496 HydrophobicContact CG1-CG2 4.23Å; T496-Q499 WeakPolarHBondContact O-CG 3.47Å; T496-Q499 PolarHBondContact O-NE2 2.98Å |
| 497 | K | 93 | Very high | 96.5 | Very high | 136 Ų | 136 | 33.7 Ų | 33.7 | 59% | 0.591 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -48 | 174.1 | -174.6 | -179.5 | 176.8 | -173.7 | 0 | 112.2 | E64 S495 Q499 | E64-K497 HydrophobicContact CB-CD 4.48Å; S495-K497 VanDerWaalsContact C-N 3.26Å; K497-Q499 VanDerWaalsContact C-N 3.33Å |
| 498 | Q | 93.7 | Very high | 96.6 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.6 | 178.8 | -61.8 | -64.7 | -18.3 | 0 | 0 | 112.8 | L82 S495 Q500 | L82-Q498 HydrophobicContact CB-CG 4.14Å; L82-Q498 HydrophobicContact CD1-CG 4.15Å; S495-Q498 WeakPolarHBondContact OG-CB 3.4Å; S495-Q498 WeakPolarHBondContact OG-CG 3.36Å; S495-Q498 PolarHBondContact OG-N 3.2Å; Q498-Q500 VanDerWaalsContact C-N 3.31Å; Q498-Q500 HydrophobicContact CB-CB 4.42Å; Q498-Q500 HydrophobicContact CB-CG 4.08Å; Q498-Q500 WeakPolarHBondContact O-CG 3.12Å |
| 499 | Q | 94.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 42.9 | -178.1 | -65.5 | -81.3 | -46.1 | 0 | 0 | 111.9 | S495 T496 K497 L514 R544 | S495-Q499 VanDerWaalsContact O-CA 3.31Å; S495-Q499 WeakPolarHBondContact O-CA 3.19Å; S495-Q499 PolarHBondContact O-N 2.73Å; T496-Q499 WeakPolarHBondContact O-CG 3.47Å; T496-Q499 PolarHBondContact O-NE2 2.98Å; K497-Q499 VanDerWaalsContact C-N 3.33Å; Q499-L514 PolarHBondContact O-N 3.5Å; Q499-R544 VanDerWaalsContact CD-NH1 3.3Å; Q499-R544 VanDerWaalsContact CG-NH2 3.35Å |
| 500 | Q | 96.9 | Very high | 96.6 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149 | -176.9 | -60.7 | -61.9 | -38.8 | 0 | 0 | 110.8 | S495 Q498 Y502 L512 | S495-Q500 PolarHBondContact N-O 2.97Å; S495-Q500 PolarHBondContact O-N 2.96Å; S495-Q500 VanDerWaalsContact O-N 3.12Å; Q498-Q500 VanDerWaalsContact C-N 3.31Å; Q498-Q500 HydrophobicContact CB-CB 4.42Å; Q498-Q500 HydrophobicContact CB-CG 4.08Å; Q498-Q500 WeakPolarHBondContact O-CG 3.12Å; Q500-Y502 HydrophobicContact CB-CE1 4.32Å; Q500-Y502 HydrophobicContact CB-CE2 4.02Å; Q500-L512 CarbonylContact C-O 3.52Å; Q500-L512 WeakPolarHBondContact CA-O 3.43Å; Q500-L512 VanDerWaalsContact OE1-C 3.32Å; Q500-L512 PolarHBondContact OE1-O 2.71Å |
| 501 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.5 | 169.5 | 178.5 | 69.5 | 0 | 0 | 0 | 108.7 | V435 F450 V458 M492 I494 I503 Q511 L512 L514 | V435-L501 HydrophobicContact CG2-CD1 3.4Å; V435-L501 VanDerWaalsContact CG2-CD1 3.4Å; F450-L501 HydrophobicContact CB-CD2 3.94Å; F450-L501 HydrophobicContact CD1-CD2 3.89Å; F450-L501 HydrophobicContact CG-CD2 4.05Å; V458-L501 HydrophobicContact CG1-CD2 4.13Å; M492-L501 HydrophobicContact CE-CD1 4.01Å; M492-L501 HydrophobicContact CE-CD2 3.8Å; M492-L501 HydrophobicContact CE-CG 4.34Å; I494-L501 HydrophobicContact CB-CD1 4.35Å; L501-I503 HydrophobicContact CD2-CD1 4.07Å; L501-I503 HydrophobicContact CD2-CG1 4.28Å; L501-I503 HydrophobicContact CG-CD1 4.27Å; L501-I503 HydrophobicContact CG-CG1 4.09Å; L501-Q511 WeakPolarHBondContact O-CA 3.33Å; L501-L512 HydrophobicContact CB-CD1 3.74Å; L501-L512 HydrophobicContact CB-CG 3.91Å; L501-L512 HydrophobicContact CD2-CD1 3.75Å; L501-L512 HydrophobicContact CD2-CD2 4.07Å; L501-L512 HydrophobicContact CD2-CG 3.99Å; L501-L512 HydrophobicContact CG-CD1 4.31Å; L501-L512 HydrophobicContact CG-CG 4.31Å; L501-L512 PolarHBondContact N-O 3.36Å; L501-L512 PolarHBondContact O-N 2.8Å; L501-L514 HydrophobicContact CB-CD2 3.85Å |
| 502 | Y | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.9 | 177.6 | -52.7 | -81.2 | 0 | 0 | 0 | 109.7 | L62 L69 L82 I85 M492 K493 Q500 S510 Q511 | L62-Y502 HydrophobicContact CD1-CD2 4.47Å; L62-Y502 HydrophobicContact CD1-CE2 4.19Å; L69-Y502 HydrophobicContact CD2-CD1 3.85Å; L69-Y502 HydrophobicContact CD2-CG 3.78Å; L82-Y502 WeakPolarHBondContact CA-OH 3.46Å; L82-Y502 VanDerWaalsContact CB-OH 3.32Å; L82-Y502 WeakPolarHBondContact CB-OH 3.38Å; L82-Y502 HydrophobicContact CD2-CE1 4.12Å; L82-Y502 HydrophobicContact CD2-CE2 3.75Å; L82-Y502 WeakPolarHBondContact CD2-OH 2.86Å; L82-Y502 PolarHBondContact O-OH 3.46Å; I85-Y502 HydrophobicContact CG2-CD1 4.03Å; I85-Y502 HydrophobicContact CG2-CE1 3.97Å; M492-Y502 CarbonylContact C-O 3.55Å; M492-Y502 WeakPolarHBondContact CA-O 3.33Å; K493-Y502 PolarHBondContact N-O 3.04Å; K493-Y502 PolarHBondContact O-N 3.13Å; Q500-Y502 HydrophobicContact CB-CE1 4.32Å; Q500-Y502 HydrophobicContact CB-CE2 4.02Å; Y502-S510 CarbonylContact C-O 3.57Å; Y502-S510 WeakPolarHBondContact CA-O 3.27Å; Y502-Q511 HydrophobicContact CD1-CB 4.18Å; Y502-Q511 HydrophobicContact CD1-CG 4.22Å; Y502-Q511 HydrophobicContact CE1-CB 4.32Å; Y502-Q511 HydrophobicContact CE1-CG 3.91Å |
| 503 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.1 | -170.9 | -60.1 | 154.1 | 0 | 0 | 0 | 109.2 | V458 V482 F483 I489 A491 M492 L501 V509 S510 L512 | V458-I503 HydrophobicContact CG2-CD1 3.6Å; V458-I503 HydrophobicContact CG2-CG1 4.44Å; V482-I503 HydrophobicContact CB-CD1 4.4Å; V482-I503 HydrophobicContact CG1-CD1 3.98Å; V482-I503 HydrophobicContact CG2-CD1 4.33Å; V482-I503 HydrophobicContact CG2-CG2 4.42Å; F483-I503 HydrophobicContact CE2-CG2 3.98Å; F483-I503 HydrophobicContact CZ-CG2 4.24Å; I489-I503 HydrophobicContact CB-CG2 4.33Å; I489-I503 HydrophobicContact CD1-CG2 4.04Å; I489-I503 HydrophobicContact CG1-CG2 3.82Å; I489-I503 HydrophobicContact CG2-CG2 3.7Å; A491-I503 WeakPolarHBondContact O-CA 3.17Å; M492-I503 HydrophobicContact CG-CG1 4.29Å; L501-I503 HydrophobicContact CD2-CD1 4.07Å; L501-I503 HydrophobicContact CD2-CG1 4.28Å; L501-I503 HydrophobicContact CG-CD1 4.27Å; L501-I503 HydrophobicContact CG-CG1 4.09Å; I503-V509 CarbonylContact O-C 3.53Å; I503-V509 VanDerWaalsContact O-CA 3.27Å; I503-V509 WeakPolarHBondContact O-CA 3.25Å; I503-S510 PolarHBondContact N-O 3.34Å; I503-S510 PolarHBondContact O-N 3.35Å; I503-L512 HydrophobicContact CD1-CD2 3.39Å; I503-L512 HydrophobicContact CD1-CG 4.16Å |
| 504 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y57 F60 S490 A491 | Y57-G504 CarbonylContact O-C 3.51Å; Y57-G504 WeakPolarHBondContact O-CA 3.26Å; F60-G504 VanDerWaalsContact CZ-CA 3.42Å; S490-G504 PolarHBondContact N-O 3.37Å; S490-G504 PolarHBondContact OG-O 3.2Å; A491-G504 PolarHBondContact N-O 3.26Å; A491-G504 PolarHBondContact O-N 2.83Å |
| 505 | S | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | -176.6 | 174.7 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | Y57 F483 V488 S490 T507 G508 | Y57-S505 WeakPolarHBondContact CB-O 3.37Å; Y57-S505 WeakPolarHBondContact CD2-O 3.43Å; Y57-S505 PolarHBondContact N-O 3.01Å; F483-S505 WeakPolarHBondContact CE1-OG 3.22Å; F483-S505 VanDerWaalsContact CE2-CB 3.49Å; F483-S505 WeakPolarHBondContact CZ-OG 3.07Å; V488-S505 WeakPolarHBondContact O-CB 3.47Å; S490-S505 WeakPolarHBondContact OG-CA 3.34Å; S505-T507 PolarHBondContact O-N 2.8Å; S505-T507 PolarHBondContact OG-N 2.93Å; S505-T507 VanDerWaalsContact OG-N 3.14Å; S505-T507 PolarHBondContact OG-OG1 2.88Å; S505-G508 PolarHBondContact N-O 3.41Å; S505-G508 PolarHBondContact OG-N 3.25Å |
| 506 | V | 95.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 25.2 Ų | 25.2 | 44% | 0.442 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -66.3 | -22.9 | 172.3 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | S55 S56 T487 | S55-V506 VanDerWaalsContact CA-O 3.31Å; S55-V506 WeakPolarHBondContact CA-O 3.21Å; S55-V506 WeakPolarHBondContact CB-O 3.31Å; S56-V506 PolarHBondContact N-O 2.93Å; T487-V506 HydrophobicContact CG2-CG2 4.45Å |
| 507 | T | 94.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 22.3 Ų | 22.3 | 35% | 0.35 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -96.8 | -20.8 | -175.8 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | G50 T487 S505 | G50-T507 WeakPolarHBondContact CA-O 3.09Å; G50-T507 PolarHBondContact N-O 2.92Å; T487-T507 HydrophobicContact CG2-CG2 3.76Å; S505-T507 PolarHBondContact O-N 2.8Å; S505-T507 PolarHBondContact OG-N 2.93Å; S505-T507 VanDerWaalsContact OG-N 3.14Å; S505-T507 PolarHBondContact OG-OG1 2.88Å |
| 508 | G | 96.2 | Very high | 96 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -160.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F48 S505 | F48-G508 VanDerWaalsContact O-CA 3.27Å; F48-G508 WeakPolarHBondContact O-CA 3.29Å; S505-G508 PolarHBondContact N-O 3.41Å; S505-G508 PolarHBondContact OG-N 3.25Å |
| 509 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | F48 Y57 F60 L69 V71 F80 I85 I503 | F48-V509 HydrophobicContact CB-CB 4.42Å; F48-V509 PolarHBondContact N-O 2.78Å; F48-V509 PolarHBondContact O-N 3.3Å; Y57-V509 HydrophobicContact CD1-CG2 4.33Å; Y57-V509 HydrophobicContact CG-CG2 4.3Å; F60-V509 HydrophobicContact CE1-CG2 4.36Å; F60-V509 HydrophobicContact CZ-CG1 4.14Å; F60-V509 HydrophobicContact CZ-CG2 4.3Å; L69-V509 HydrophobicContact CD2-CG1 4.37Å; V71-V509 HydrophobicContact CG1-CG2 4.24Å; V71-V509 HydrophobicContact CG2-CG2 4.41Å; F80-V509 HydrophobicContact CE2-CG2 4.13Å; F80-V509 HydrophobicContact CZ-CG2 4.34Å; I85-V509 HydrophobicContact CD1-CB 4.45Å; I85-V509 HydrophobicContact CD1-CG1 4.12Å; I85-V509 WeakPolarHBondContact CD1-O 3.18Å; I503-V509 CarbonylContact O-C 3.53Å; I503-V509 VanDerWaalsContact O-CA 3.27Å; I503-V509 WeakPolarHBondContact O-CA 3.25Å |
| 510 | S | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.3 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | I46 N47 F483 Y502 I503 | I46-S510 CarbonylContact O-C 3.55Å; I46-S510 WeakPolarHBondContact O-CA 3.45Å; N47-S510 WeakPolarHBondContact OD1-CA 3.32Å; N47-S510 WeakPolarHBondContact OD1-CB 3.41Å; N47-S510 PolarHBondContact OD1-OG 2.85Å; F483-S510 WeakPolarHBondContact CE1-OG 3.38Å; F483-S510 WeakPolarHBondContact CZ-OG 3.29Å; Y502-S510 CarbonylContact C-O 3.57Å; Y502-S510 WeakPolarHBondContact CA-O 3.27Å; I503-S510 PolarHBondContact N-O 3.34Å; I503-S510 PolarHBondContact O-N 3.35Å |
| 511 | Q | 97.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129 | 174.3 | 171.4 | -171.6 | 4 | 0 | 0 | 108.1 | I45 I46 L82 V83 I85 L501 Y502 | I45-Q511 WeakPolarHBondContact CA-O 3.5Å; I46-Q511 HydrophobicContact CB-CB 4.26Å; I46-Q511 PolarHBondContact N-O 2.97Å; I46-Q511 PolarHBondContact O-N 3.31Å; L82-Q511 PolarHBondContact O-NE2 3.03Å; V83-Q511 PolarHBondContact O-NE2 3.34Å; I85-Q511 HydrophobicContact CD1-CB 3.78Å; I85-Q511 HydrophobicContact CG1-CB 3.92Å; I85-Q511 HydrophobicContact CG2-CB 4Å; I85-Q511 HydrophobicContact CG2-CG 4.5Å; I85-Q511 VanDerWaalsContact N-OE1 3.15Å; L501-Q511 WeakPolarHBondContact O-CA 3.33Å; Y502-Q511 HydrophobicContact CD1-CB 4.18Å; Y502-Q511 HydrophobicContact CD1-CG 4.22Å; Y502-Q511 HydrophobicContact CE1-CB 4.32Å; Y502-Q511 HydrophobicContact CE1-CG 3.91Å |
| 512 | L | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.9 | 175.7 | 69.7 | 86.2 | 0 | 0 | 0 | 111.8 | V458 V482 Q500 L501 I503 | V458-L512 HydrophobicContact CG2-CD2 4.49Å; V482-L512 HydrophobicContact CG1-CD2 3.7Å; Q500-L512 CarbonylContact C-O 3.52Å; Q500-L512 WeakPolarHBondContact CA-O 3.43Å; Q500-L512 VanDerWaalsContact OE1-C 3.32Å; Q500-L512 PolarHBondContact OE1-O 2.71Å; L501-L512 HydrophobicContact CB-CD1 3.74Å; L501-L512 HydrophobicContact CB-CG 3.91Å; L501-L512 HydrophobicContact CD2-CD1 3.75Å; L501-L512 HydrophobicContact CD2-CD2 4.07Å; L501-L512 HydrophobicContact CD2-CG 3.99Å; L501-L512 HydrophobicContact CG-CD1 4.31Å; L501-L512 HydrophobicContact CG-CG 4.31Å; L501-L512 PolarHBondContact N-O 3.36Å; L501-L512 PolarHBondContact O-N 2.8Å; I503-L512 HydrophobicContact CD1-CD2 3.39Å; I503-L512 HydrophobicContact CD1-CG 4.16Å |
| 513 | P | 96.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 26 Ų | 26 | 15% | 0.149 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 147.4 | 175.3 | 29.9 | -32.3 | 0 | 0 | 0 | 111.4 | N44 H515 R516 | N44-P513 VanDerWaalsContact O-CD 3.26Å; N44-P513 WeakPolarHBondContact O-CD 3.14Å; P513-H515 PolarHBondContact O-N 2.87Å; P513-R516 HydrophobicContact CG-CG 4Å |
| 514 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68.1 | -21.4 | -179.5 | -58.2 | 179.9 | 0 | 0 | 0 | 113.5 | F450 K460 I494 Q499 L501 Y534 | F450-L514 HydrophobicContact CE1-CD2 4.28Å; F450-L514 HydrophobicContact CE2-CD2 3.9Å; F450-L514 HydrophobicContact CZ-CB 4.07Å; F450-L514 HydrophobicContact CZ-CD2 3.73Å; F450-L514 HydrophobicContact CZ-CG 4.46Å; K460-L514 PolarHBondContact NZ-O 3.32Å; I494-L514 HydrophobicContact CD1-CD1 3.89Å; I494-L514 HydrophobicContact CD1-CD2 3.77Å; I494-L514 HydrophobicContact CG1-CD1 4.09Å; I494-L514 HydrophobicContact CG1-CD2 3.98Å; Q499-L514 PolarHBondContact O-N 3.5Å; L501-L514 HydrophobicContact CB-CD2 3.85Å; L514-Y534 HydrophobicContact CB-CE1 4.12Å; L514-Y534 HydrophobicContact CB-CE2 4.46Å; L514-Y534 HydrophobicContact CD1-CE1 4.37Å |
| 515 | H | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 26.7 Ų | 26.7 | 19% | 0.194 | 14% | 0.143 | C | C | . | . | trans | -136 | 146.3 | -177 | 70.8 | 87.7 | 0 | 0 | 0 | 110 | P513 Y534 R544 | P513-H515 PolarHBondContact O-N 2.87Å; H515-Y534 VanDerWaalsContact CB-CB 3.44Å; H515-Y534 HydrophobicContact CB-CD1 4.38Å; H515-Y534 HydrophobicContact CB-CG 3.95Å; H515-R544 PolarHBondContact CD2-NH1 3.44Å; H515-R544 VanDerWaalsContact CD2-NH1 3.32Å; H515-R544 PolarHBondContact NE2-NH1 3.11Å; H515-R544 VanDerWaalsContact NE2-NH1 3.14Å | ||
| 516 | R | 93.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | trans | -145.6 | 55.6 | 179.5 | -49.1 | 168.3 | -49.2 | -32.1 | -29.4 | 108.5 | N44 E478 P513 D518 V519 | N44-R516 HydrophobicContact CB-CG 4.43Å; N44-R516 VanDerWaalsContact CG-CD 3.49Å; N44-R516 WeakPolarHBondContact OD1-CG 3.46Å; E478-R516 IonicContact OE1-CZ 3.43Å; E478-R516 IonicContact OE1-NH1 2.72Å; E478-R516 PolarHBondContact OE1-NH1 3.27Å; E478-R516 IonicContact OE1-NH2 2.69Å; E478-R516 PolarHBondContact OE1-NH2 3.34Å; E478-R516 IonicContact OE2-CZ 3.08Å; E478-R516 IonicContact OE2-NH1 3.64Å; E478-R516 PolarHBondContact OE2-NH1 3.1Å; E478-R516 IonicContact OE2-NH2 3.73Å; E478-R516 PolarHBondContact OE2-NH2 2.87Å; P513-R516 HydrophobicContact CG-CG 4Å; R516-D518 PolarHBondContact O-N 2.79Å; R516-V519 HydrophobicContact CB-CG1 3.95Å; R516-V519 HydrophobicContact CB-CG2 4.2Å; R516-V519 WeakPolarHBondContact O-CG2 3.49Å; R516-V519 PolarHBondContact O-N 3.12Å | ||
| 517 | C | 93.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59 | -28 | -164 | -55.9 | 0 | 0 | 0 | 0 | 114 | V519 Y520 C535 C542 | C517-V519 PolarHBondContact O-N 2.97Å; C517-Y520 PolarHBondContact O-N 3.47Å; C517-C535 WeakPolarHBondContact CA-SG 3.48Å; C517-C535 HydrophobicContact CB-CB 3.67Å; C517-C535 WeakPolarHBondContact CB-SG 3.45Å; C517-C535 WeakPolarHBondContact SG-CA 3.13Å; C517-C535 WeakPolarHBondContact SG-CB 3.19Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.86Å; C517-C542 CarbonylContact C-O 3.53Å; C517-C542 WeakPolarHBondContact CB-O 3.44Å; C517-C542 WeakPolarHBondContact O-CB 3.05Å; C517-C542 PolarHBondContact O-SG 2.71Å; C517-C542 VanDerWaalsContact O-SG 3.41Å |
| 518 | D | 89.9 | Confident | 92 | Very high | 105 Ų | 105 | 22.7 Ų | 22.7 | 56% | 0.561 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -62.7 | -25 | 175.5 | 59.6 | -57.8 | 0 | 0 | 0 | 113.8 | R516 Y520 | R516-D518 PolarHBondContact O-N 2.79Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 2.94Å |
| 519 | V | 90.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 14% | 0.139 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.1 | -27.8 | 179.9 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | L32 R516 C517 G521 | L32-V519 HydrophobicContact CD1-CB 4.44Å; L32-V519 HydrophobicContact CD1-CG2 3.52Å; R516-V519 HydrophobicContact CB-CG1 3.95Å; R516-V519 HydrophobicContact CB-CG2 4.2Å; R516-V519 WeakPolarHBondContact O-CG2 3.49Å; R516-V519 PolarHBondContact O-N 3.12Å; C517-V519 PolarHBondContact O-N 2.97Å; V519-G521 VanDerWaalsContact C-N 3.33Å; V519-G521 PolarHBondContact O-N 2.04Å |
| 520 | Y | 89.2 | Confident | 91.5 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | -177.1 | -70 | -60.4 | 0 | 0 | 0 | 112.7 | L32 E478 C517 D518 A530 D532 | L32-Y520 HydrophobicContact CD1-CD1 3.46Å; L32-Y520 VanDerWaalsContact CD1-CD1 3.46Å; L32-Y520 HydrophobicContact CD1-CE1 3.56Å; L32-Y520 HydrophobicContact CD1-CG 4.38Å; L32-Y520 HydrophobicContact CG-CD1 4.18Å; L32-Y520 HydrophobicContact CG-CE1 4.15Å; E478-Y520 PolarHBondContact OE1-OH 3.32Å; C517-Y520 PolarHBondContact O-N 3.47Å; D518-Y520 VanDerWaalsContact C-N 3.31Å; D518-Y520 PolarHBondContact O-N 2.94Å; Y520-A530 HydrophobicContact CD1-CB 3.51Å; Y520-A530 HydrophobicContact CD2-CB 3.71Å; Y520-A530 HydrophobicContact CE1-CB 3.78Å; Y520-A530 HydrophobicContact CE2-CB 3.97Å; Y520-A530 HydrophobicContact CG-CB 3.47Å; Y520-A530 VanDerWaalsContact CG-CB 3.47Å; Y520-D532 HydrophobicContact CE2-CB 3.7Å; Y520-D532 VanDerWaalsContact CE2-OD2 3.29Å; Y520-D532 WeakPolarHBondContact CE2-OD2 3.49Å; Y520-D532 WeakPolarHBondContact OH-CB 3.32Å; Y520-D532 PolarHBondContact OH-OD2 3.26Å |
| 521 | G | 83.8 | Confident | 91.3 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | trans | 155.4 | 176.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | V519 E526 | V519-G521 VanDerWaalsContact C-N 3.33Å; V519-G521 PolarHBondContact O-N 2.04Å; G521-E526 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 522 | K | 82.7 | Confident | 91.3 | Very high | 186 Ų | 186 | 23 Ų | 23 | 81% | 0.809 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -111.4 | -3 | 177.5 | -65.3 | -174.7 | -179.8 | -179.9 | 0 | 112.5 | E526 W537 | K522-E526 PolarHBondContact N-OE2 3.02Å; K522-W537 WeakPolarHBondContact O-CH2 3.4Å; K522-W537 WeakPolarHBondContact O-CZ3 3.03Å |
| 523 | A | 86 | Confident | 91.2 | Very high | 12 Ų | 12 | 23 Ų | 23 | 10% | 0.099 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -104.8 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A525 E526 C527 | A523-A525 PolarHBondContact O-N 2.96Å; A523-E526 HydrophobicContact CB-CG 4.14Å; A523-E526 PolarHBondContact N-OE2 2.86Å; A523-E526 PolarHBondContact O-N 2.67Å; A523-C527 PolarHBondContact O-N 2.78Å; A523-C527 VanDerWaalsContact O-N 3.17Å |
| 524 | C | 88.3 | Confident | 91.2 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53.1 | -44.1 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | E526 C527 C528 W537 C567 L570 | C524-E526 PolarHBondContact O-N 3.37Å; C524-C527 PolarHBondContact O-N 3.41Å; C524-C528 WeakPolarHBondContact O-CB 3.32Å; C524-C528 PolarHBondContact O-N 2.83Å; C524-W537 VanDerWaalsContact CA-CD2 3.46Å; C524-W537 HydrophobicContact CB-CD2 3.69Å; C524-W537 HydrophobicContact CB-CE3 4.24Å; C524-W537 HydrophobicContact CB-CG 3.8Å; C524-W537 HydrophobicContact CB-CZ2 4.29Å; C524-C567 HydrophobicContact CB-CB 3.74Å; C524-C567 WeakPolarHBondContact CB-SG 3.21Å; C524-C567 PolarHBondContact O-SG 2.94Å; C524-C567 WeakPolarHBondContact SG-CB 3.35Å; C524-C567 CovalentContact SG-SG 2.04Å; C524-C567 PolarHBondContact SG-SG 3.38Å; C524-L570 HydrophobicContact CB-CD1 3.61Å |
| 525 | A | 89 | Confident | 91.2 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A523 C527 C528 L529 P563 F657 | A523-A525 PolarHBondContact O-N 2.96Å; A525-C527 VanDerWaalsContact C-N 3.33Å; A525-C527 PolarHBondContact O-N 2.73Å; A525-C528 PolarHBondContact O-N 2.9Å; A525-L529 WeakPolarHBondContact O-CB 3.43Å; A525-L529 WeakPolarHBondContact O-CD1 3.41Å; A525-L529 VanDerWaalsContact O-CG 3.24Å; A525-L529 WeakPolarHBondContact O-CG 3.46Å; A525-L529 PolarHBondContact O-N 3.47Å; A525-P563 HydrophobicContact CB-CB 3.63Å; A525-P563 HydrophobicContact CB-CG 4.44Å; A525-F657 HydrophobicContact CB-CD1 4.24Å; A525-F657 HydrophobicContact CB-CE1 3.41Å; A525-F657 VanDerWaalsContact CB-CE1 3.41Å; A525-F657 HydrophobicContact CB-CE2 4.16Å; A525-F657 HydrophobicContact CB-CZ 3.37Å |
| 526 | E | 88.7 | Confident | 91.1 | Very high | 36 Ų | 36 | 20.5 Ų | 20.5 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.6 | -63.7 | 174.2 | 145.9 | 0 | 0 | 111.7 | G521 K522 A523 C524 A530 Q659 | G521-E526 WeakPolarHBondContact CA-OE2 3.43Å; K522-E526 PolarHBondContact N-OE2 3.02Å; A523-E526 HydrophobicContact CB-CG 4.14Å; A523-E526 PolarHBondContact N-OE2 2.86Å; A523-E526 PolarHBondContact O-N 2.67Å; C524-E526 PolarHBondContact O-N 3.37Å; E526-A530 PolarHBondContact O-N 2.91Å; E526-Q659 PolarHBondContact OE1-NE2 3.25Å; E526-Q659 VanDerWaalsContact OE1-NE2 3.1Å |
| 527 | C | 91.8 | Very high | 91 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.7 | -41.7 | 176.9 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | A523 C524 A525 A530 W537 C542 | A523-C527 PolarHBondContact O-N 2.78Å; A523-C527 VanDerWaalsContact O-N 3.17Å; C524-C527 PolarHBondContact O-N 3.41Å; A525-C527 VanDerWaalsContact C-N 3.33Å; A525-C527 PolarHBondContact O-N 2.73Å; C527-A530 WeakPolarHBondContact O-CB 3.42Å; C527-A530 PolarHBondContact O-N 3.47Å; C527-W537 HydrophobicContact CB-CB 4.3Å; C527-W537 HydrophobicContact CB-CE3 4.22Å; C527-W537 PolarHBondContact SG-N 3.24Å; C527-W537 VanDerWaalsContact SG-N 3.38Å; C527-C542 VanDerWaalsContact CA-SG 3.55Å; C527-C542 HydrophobicContact CB-CB 3.53Å; C527-C542 WeakPolarHBondContact CB-SG 3.25Å; C527-C542 WeakPolarHBondContact SG-CA 3.25Å; C527-C542 WeakPolarHBondContact SG-CB 3.42Å; C527-C542 CovalentContact SG-SG 2.04Å; C527-C542 PolarHBondContact SG-SG 3.47Å |
| 528 | C | 91.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 177.6 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | C524 A525 A530 R531 P563 | C524-C528 WeakPolarHBondContact O-CB 3.32Å; C524-C528 PolarHBondContact O-N 2.83Å; A525-C528 PolarHBondContact O-N 2.9Å; C528-A530 PolarHBondContact O-N 2.96Å; C528-A530 VanDerWaalsContact O-N 3.14Å; C528-R531 PolarHBondContact O-N 2.54Å; C528-P563 HydrophobicContact CB-CB 4.33Å |
| 529 | L | 91.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -24.4 | 177.6 | -72.1 | 166.8 | 0 | 0 | 0 | 112.5 | R31 A525 R531 G561 P563 E654 H655 F657 | R31-L529 VanDerWaalsContact CZ-C 3.42Å; R31-L529 VanDerWaalsContact CZ-O 3.27Å; R31-L529 PolarHBondContact NH1-O 2.83Å; R31-L529 VanDerWaalsContact NH2-CB 3.25Å; A525-L529 WeakPolarHBondContact O-CB 3.43Å; A525-L529 WeakPolarHBondContact O-CD1 3.41Å; A525-L529 VanDerWaalsContact O-CG 3.24Å; A525-L529 WeakPolarHBondContact O-CG 3.46Å; A525-L529 PolarHBondContact O-N 3.47Å; L529-R531 PolarHBondContact O-N 3.04Å; L529-G561 WeakPolarHBondContact CD2-O 3.49Å; L529-P563 HydrophobicContact CD1-CG 4.41Å; L529-P563 HydrophobicContact CD2-CG 4.11Å; L529-P563 HydrophobicContact CG-CG 4.05Å; L529-E654 HydrophobicContact CD2-CG 4.39Å; L529-H655 HydrophobicContact CD2-CB 4.06Å; L529-F657 HydrophobicContact CD1-CD1 3.87Å |
| 530 | A | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L477 Y520 E526 C527 C528 D532 | L477-A530 WeakPolarHBondContact CD2-O 3.49Å; Y520-A530 HydrophobicContact CD1-CB 3.51Å; Y520-A530 HydrophobicContact CD2-CB 3.71Å; Y520-A530 HydrophobicContact CE1-CB 3.78Å; Y520-A530 HydrophobicContact CE2-CB 3.97Å; Y520-A530 HydrophobicContact CG-CB 3.47Å; Y520-A530 VanDerWaalsContact CG-CB 3.47Å; E526-A530 PolarHBondContact O-N 2.91Å; C527-A530 WeakPolarHBondContact O-CB 3.42Å; C527-A530 PolarHBondContact O-N 3.47Å; C528-A530 PolarHBondContact O-N 2.96Å; C528-A530 VanDerWaalsContact O-N 3.14Å; A530-D532 HydrophobicContact CB-CB 4.49Å; A530-D532 PolarHBondContact O-N 2.84Å; A530-D532 VanDerWaalsContact O-N 3.09Å |
| 531 | R | 93.8 | Very high | 90 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | trans | 51.5 | 28.1 | -177.2 | -60.1 | 173.3 | 74.8 | -170.3 | 7.6 | 113.2 | I464 E473 C528 L529 P533 I558 R559 | I464-R531 VanDerWaalsContact CD1-NH2 3.29Å; E473-R531 IonicContact OE1-CZ 2.74Å; E473-R531 IonicContact OE1-NH1 2.82Å; E473-R531 PolarHBondContact OE1-NH1 2.82Å; E473-R531 VanDerWaalsContact OE1-NH1 3.12Å; E473-R531 IonicContact OE1-NH2 2.75Å; C528-R531 PolarHBondContact O-N 2.54Å; L529-R531 PolarHBondContact O-N 3.04Å; R531-P533 WeakPolarHBondContact O-CD 3.41Å; R531-I558 PolarHBondContact NE-O 2.96Å; R531-R559 PolarHBondContact NH2-O 2.95Å | ||
| 532 | D | 95.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -90.7 | 114.7 | 178.9 | -170.8 | -22.8 | 0 | 0 | 0 | 109.9 | K460 L477 Y520 A530 Y534 C535 I558 | K460-D532 IonicContact NZ-OD1 2.63Å; K460-D532 PolarHBondContact NZ-OD1 2.93Å; K460-D532 IonicContact NZ-OD2 3.76Å; K460-D532 PolarHBondContact NZ-OD2 3.36Å; L477-D532 HydrophobicContact CD1-CB 4.01Å; Y520-D532 HydrophobicContact CE2-CB 3.7Å; Y520-D532 VanDerWaalsContact CE2-OD2 3.29Å; Y520-D532 WeakPolarHBondContact CE2-OD2 3.49Å; Y520-D532 WeakPolarHBondContact OH-CB 3.32Å; Y520-D532 PolarHBondContact OH-OD2 3.26Å; A530-D532 HydrophobicContact CB-CB 4.49Å; A530-D532 PolarHBondContact O-N 2.84Å; A530-D532 VanDerWaalsContact O-N 3.09Å; D532-Y534 PolarHBondContact O-N 2.74Å; D532-Y534 VanDerWaalsContact OD1-CD2 3.32Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.39Å; D532-Y534 PolarHBondContact OD1-N 2.75Å; D532-Y534 VanDerWaalsContact OD1-N 3.11Å; D532-C535 HydrophobicContact CB-CB 4.12Å; D532-C535 PolarHBondContact O-N 2.82Å; D532-C535 VanDerWaalsContact O-O 3.09Å; D532-I558 VanDerWaalsContact C-CD1 3.46Å; D532-I558 WeakPolarHBondContact O-CD1 3.41Å | ||
| 533 | P | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26 | -177.9 | -27 | 36.2 | 0 | 0 | 0 | 113.9 | V439 A441 Y446 V448 V462 R531 C535 Q556 I558 | V439-P533 HydrophobicContact CB-CB 3.97Å; V439-P533 HydrophobicContact CG1-CB 3.84Å; A441-P533 HydrophobicContact CB-CB 4.38Å; Y446-P533 HydrophobicContact CD2-CG 4.34Å; Y446-P533 HydrophobicContact CG-CG 4.1Å; V448-P533 HydrophobicContact CG2-CB 4.43Å; V448-P533 HydrophobicContact CG2-CG 3.9Å; V462-P533 HydrophobicContact CB-CG 4.5Å; V462-P533 HydrophobicContact CG2-CG 3.69Å; R531-P533 WeakPolarHBondContact O-CD 3.41Å; P533-C535 VanDerWaalsContact C-N 3.25Å; P533-C535 PolarHBondContact O-N 3.11Å; P533-Q556 PolarHBondContact O-NE2 2.99Å; P533-I558 HydrophobicContact CG-CD1 4.4Å; P533-I558 HydrophobicContact CG-CG1 4.45Å; P533-I558 HydrophobicContact CG-CG2 4.18Å |
| 534 | Y | 96 | Very high | 91.1 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10 | 177.3 | -63.8 | -84 | 0 | 0 | 0 | 113.7 | D437 V439 V448 F450 L514 H515 D532 R544 Y545 | D437-Y534 WeakPolarHBondContact CB-OH 3.47Å; D437-Y534 VanDerWaalsContact CG-OH 3.25Å; D437-Y534 PolarHBondContact OD2-OH 3.13Å; V439-Y534 HydrophobicContact CB-CE1 4.43Å; V439-Y534 HydrophobicContact CG1-CD1 3.84Å; V439-Y534 HydrophobicContact CG1-CE1 3.91Å; V439-Y534 HydrophobicContact CG1-CG 4.16Å; V439-Y534 HydrophobicContact CG2-CD1 4.27Å; V439-Y534 HydrophobicContact CG2-CD2 4.3Å; V439-Y534 HydrophobicContact CG2-CE1 3.58Å; V439-Y534 HydrophobicContact CG2-CE2 3.67Å; V439-Y534 WeakPolarHBondContact CG2-OH 3.31Å; V448-Y534 HydrophobicContact CB-CE2 4.08Å; V448-Y534 HydrophobicContact CG1-CE2 4.03Å; V448-Y534 HydrophobicContact CG2-CE2 3.95Å; F450-Y534 HydrophobicContact CZ-CE2 4.21Å; L514-Y534 HydrophobicContact CB-CE1 4.12Å; L514-Y534 HydrophobicContact CB-CE2 4.46Å; L514-Y534 HydrophobicContact CD1-CE1 4.37Å; H515-Y534 VanDerWaalsContact CB-CB 3.44Å; H515-Y534 HydrophobicContact CB-CD1 4.38Å; H515-Y534 HydrophobicContact CB-CG 3.95Å; D532-Y534 PolarHBondContact O-N 2.74Å; D532-Y534 VanDerWaalsContact OD1-CD2 3.32Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.39Å; D532-Y534 PolarHBondContact OD1-N 2.75Å; D532-Y534 VanDerWaalsContact OD1-N 3.11Å; Y534-R544 CarbonylContact O-C 3.52Å; Y534-R544 WeakPolarHBondContact O-CA 3.04Å; Y534-Y545 PolarHBondContact O-N 3.08Å |
| 535 | C | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.9 | -169.4 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | C517 D532 P533 S543 Q556 | C517-C535 WeakPolarHBondContact CA-SG 3.48Å; C517-C535 HydrophobicContact CB-CB 3.67Å; C517-C535 WeakPolarHBondContact CB-SG 3.45Å; C517-C535 WeakPolarHBondContact SG-CA 3.13Å; C517-C535 WeakPolarHBondContact SG-CB 3.19Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.86Å; D532-C535 HydrophobicContact CB-CB 4.12Å; D532-C535 PolarHBondContact O-N 2.82Å; D532-C535 VanDerWaalsContact O-O 3.09Å; P533-C535 VanDerWaalsContact C-N 3.25Å; P533-C535 PolarHBondContact O-N 3.11Å; C535-S543 WeakPolarHBondContact CA-O 3.27Å; C535-Q556 PolarHBondContact O-NE2 2.99Å |
| 536 | A | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D538 S543 Y545 R554 Q556 | A536-D538 PolarHBondContact O-N 2.66Å; A536-S543 PolarHBondContact N-O 2.79Å; A536-S543 PolarHBondContact O-N 2.94Å; A536-Y545 HydrophobicContact CB-CD2 3.91Å; A536-R554 HydrophobicContact CB-CG 3.9Å; A536-Q556 HydrophobicContact CB-CB 3.93Å; A536-Q556 HydrophobicContact CB-CG 4.36Å |
| 537 | W | 91.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.3 | 169.5 | -178.3 | -104.1 | 0 | 0 | 0 | 108.8 | K522 C524 C527 G539 S540 S541 R554 R555 L570 | K522-W537 WeakPolarHBondContact O-CH2 3.4Å; K522-W537 WeakPolarHBondContact O-CZ3 3.03Å; C524-W537 VanDerWaalsContact CA-CD2 3.46Å; C524-W537 HydrophobicContact CB-CD2 3.69Å; C524-W537 HydrophobicContact CB-CE3 4.24Å; C524-W537 HydrophobicContact CB-CG 3.8Å; C524-W537 HydrophobicContact CB-CZ2 4.29Å; C527-W537 HydrophobicContact CB-CB 4.3Å; C527-W537 HydrophobicContact CB-CE3 4.22Å; C527-W537 PolarHBondContact SG-N 3.24Å; C527-W537 VanDerWaalsContact SG-N 3.38Å; W537-G539 VanDerWaalsContact CD1-N 3.31Å; W537-S540 WeakPolarHBondContact CH2-O 3.49Å; W537-S541 VanDerWaalsContact CZ3-CA 3.4Å; W537-R554 CarbonylContact O-C 3.52Å; W537-R554 WeakPolarHBondContact O-CA 3.41Å; W537-R554 WeakPolarHBondContact O-CG 3.48Å; W537-R555 HydrophobicContact CB-CB 4.2Å; W537-R555 PolarHBondContact N-O 3.35Å; W537-R555 PolarHBondContact O-N 2.85Å; W537-L570 HydrophobicContact CZ2-CD1 4.48Å |
| 538 | D | 86.2 | Confident | 89.3 | Confident | 51 Ų | 51 | 32.3 Ų | 32.3 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | trans | -96.2 | -5.2 | -179.2 | 61 | 17.1 | 0 | 0 | 0 | 114.5 | A536 S540 S541 S543 T553 | A536-D538 PolarHBondContact O-N 2.66Å; D538-S540 PolarHBondContact OD1-N 2.92Å; D538-S540 PolarHBondContact OD1-OG 2.72Å; D538-S540 VanDerWaalsContact OD1-OG 3.14Å; D538-S541 PolarHBondContact N-O 2.86Å; D538-S541 VanDerWaalsContact N-O 3.15Å; D538-S541 PolarHBondContact OD1-N 2.99Å; D538-S541 VanDerWaalsContact OD1-O 3.05Å; D538-S541 PolarHBondContact OD2-OG 3.47Å; D538-S543 WeakPolarHBondContact CB-OG 3.36Å; D538-S543 VanDerWaalsContact CG-OG 3.29Å; D538-S543 WeakPolarHBondContact OD2-CB 3.49Å; D538-S543 PolarHBondContact OD2-OG 2.87Å; D538-T553 PolarHBondContact O-OG1 2.69Å | ||
| 539 | G | 84.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 117.4 | -23.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W537 | W537-G539 VanDerWaalsContact CD1-N 3.31Š|
| 540 | S | 83.1 | Confident | 86.2 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -128.5 | -31.8 | -179 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | W537 D538 | W537-S540 WeakPolarHBondContact CH2-O 3.49Å; D538-S540 PolarHBondContact OD1-N 2.92Å; D538-S540 PolarHBondContact OD1-OG 2.72Å; D538-S540 VanDerWaalsContact OD1-OG 3.14Å |
| 541 | S | 88.8 | Confident | 84.8 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -148.7 | 161.6 | -178 | 66.4 | 0 | 0 | 0 | 0 | 112 | W537 D538 S543 | W537-S541 VanDerWaalsContact CZ3-CA 3.4Å; D538-S541 PolarHBondContact N-O 2.86Å; D538-S541 VanDerWaalsContact N-O 3.15Å; D538-S541 PolarHBondContact OD1-N 2.99Å; D538-S541 VanDerWaalsContact OD1-O 3.05Å; D538-S541 PolarHBondContact OD2-OG 3.47Å; S541-S543 PolarHBondContact O-N 2.84Å |
| 542 | C | 91.7 | Very high | 83.3 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 108.4 | 167.5 | -163.7 | 0 | 0 | 0 | 0 | 108.2 | C517 C527 | C517-C542 CarbonylContact C-O 3.53Å; C517-C542 WeakPolarHBondContact CB-O 3.44Å; C517-C542 WeakPolarHBondContact O-CB 3.05Å; C517-C542 PolarHBondContact O-SG 2.71Å; C517-C542 VanDerWaalsContact O-SG 3.41Å; C527-C542 VanDerWaalsContact CA-SG 3.55Å; C527-C542 HydrophobicContact CB-CB 3.53Å; C527-C542 WeakPolarHBondContact CB-SG 3.25Å; C527-C542 WeakPolarHBondContact SG-CA 3.25Å; C527-C542 WeakPolarHBondContact SG-CB 3.42Å; C527-C542 CovalentContact SG-SG 2.04Å; C527-C542 PolarHBondContact SG-SG 3.47Å |
| 543 | S | 92.1 | Very high | 82 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 173.7 | -173.6 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | C535 A536 D538 S541 Y545 | C535-S543 WeakPolarHBondContact CA-O 3.27Å; A536-S543 PolarHBondContact N-O 2.79Å; A536-S543 PolarHBondContact O-N 2.94Å; D538-S543 WeakPolarHBondContact CB-OG 3.36Å; D538-S543 VanDerWaalsContact CG-OG 3.29Å; D538-S543 WeakPolarHBondContact OD2-CB 3.49Å; D538-S543 PolarHBondContact OD2-OG 2.87Å; S541-S543 PolarHBondContact O-N 2.84Å; S543-Y545 PolarHBondContact O-N 2.9Å |
| 544 | R | 92.3 | Very high | 81.4 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 24% | 0.238 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.8 | -177.6 | 175.8 | 173.6 | 170.5 | 146 | 1.5 | 111.2 | Q499 H515 Y534 F546 | Q499-R544 VanDerWaalsContact CD-NH1 3.3Å; Q499-R544 VanDerWaalsContact CG-NH2 3.35Å; H515-R544 PolarHBondContact CD2-NH1 3.44Å; H515-R544 VanDerWaalsContact CD2-NH1 3.32Å; H515-R544 PolarHBondContact NE2-NH1 3.11Å; H515-R544 VanDerWaalsContact NE2-NH1 3.14Å; Y534-R544 CarbonylContact O-C 3.52Å; Y534-R544 WeakPolarHBondContact O-CA 3.04Å; R544-F546 HydrophobicContact CB-CD2 4.46Å; R544-F546 HydrophobicContact CB-CE2 3.83Å; R544-F546 HydrophobicContact CB-CZ 4.29Å; R544-F546 VanDerWaalsContact CD-CZ 3.47Å; R544-F546 HydrophobicContact CG-CD2 4.27Å; R544-F546 HydrophobicContact CG-CE1 4.45Å; R544-F546 HydrophobicContact CG-CE2 3.75Å; R544-F546 HydrophobicContact CG-CZ 3.87Å; R544-F546 VanDerWaalsContact O-CD2 3.25Å; R544-F546 WeakPolarHBondContact O-CD2 3.16Å |
| 545 | Y | 90.5 | Very high | 81 | Confident | 31 Ų | 31 | 75 Ų | 75 | 12% | 0.122 | 38% | 0.384 | C | S | . | . | trans | -68.6 | 131.5 | 171.6 | -178.9 | -98.4 | 0 | 0 | 0 | 110.9 | D440 A441 E442 Y534 A536 S543 P547 | D440-Y545 WeakPolarHBondContact O-CD1 3.48Å; D440-Y545 WeakPolarHBondContact O-CE1 3.4Å; A441-Y545 PolarHBondContact O-OH 2.98Å; E442-Y545 WeakPolarHBondContact CA-OH 3.48Å; E442-Y545 HydrophobicContact CB-CE2 4.12Å; E442-Y545 PolarHBondContact N-OH 2.72Å; Y534-Y545 PolarHBondContact O-N 3.08Å; A536-Y545 HydrophobicContact CB-CD2 3.91Å; S543-Y545 PolarHBondContact O-N 2.9Å; Y545-P547 HydrophobicContact CE1-CG 3.96Å | ||
| 546 | F | 83.9 | Confident | 80.8 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | trans | -133.9 | 127 | 172.1 | -69 | -79.9 | 0 | 0 | 0 | 108.8 | R544 T548 R554 | R544-F546 HydrophobicContact CB-CD2 4.46Å; R544-F546 HydrophobicContact CB-CE2 3.83Å; R544-F546 HydrophobicContact CB-CZ 4.29Å; R544-F546 VanDerWaalsContact CD-CZ 3.47Å; R544-F546 HydrophobicContact CG-CD2 4.27Å; R544-F546 HydrophobicContact CG-CE1 4.45Å; R544-F546 HydrophobicContact CG-CE2 3.75Å; R544-F546 HydrophobicContact CG-CZ 3.87Å; R544-F546 VanDerWaalsContact O-CD2 3.25Å; R544-F546 WeakPolarHBondContact O-CD2 3.16Å; F546-T548 HydrophobicContact CB-CG2 4.4Å; F546-T548 PolarHBondContact O-N 2.94Å; F546-T548 PolarHBondContact O-OG1 3.41Å; F546-R554 VanDerWaalsContact O-CZ 3.23Å; F546-R554 PolarHBondContact O-NH1 2.85Å; F546-R554 PolarHBondContact O-NH2 3.26Å | ||
| 547 | P | 76.1 | Confident | 80.6 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | trans | -62.7 | 100.3 | 175.7 | -16.6 | 27.9 | 0 | 0 | 0 | 110.1 | D440 Y545 | D440-P547 HydrophobicContact CB-CG 4.35Å; Y545-P547 HydrophobicContact CE1-CG 3.96Å | ||
| 548 | T | 69.6 | Low | 80.7 | Confident | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | trans | -134 | 147.7 | -179.5 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | F546 K550 R554 | F546-T548 HydrophobicContact CB-CG2 4.4Å; F546-T548 PolarHBondContact O-N 2.94Å; F546-T548 PolarHBondContact O-OG1 3.41Å; T548-K550 VanDerWaalsContact C-N 3.31Å; T548-K550 PolarHBondContact O-N 2.9Å; T548-R554 PolarHBondContact OG1-NH1 3.12Å; T548-R554 PolarHBondContact OG1-NH2 2.88Å | ||
| 549 | A | 59.2 | Low | 80.8 | Confident | 96 Ų | 96 | 77.8 Ų | 77.8 | 79% | 0.793 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.8 | -11.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R551 | A549-R551 PolarHBondContact O-N 3.07Š|
| 550 | K | 57.9 | Low | 81 | Confident | 191 Ų | 191 | 81.1 Ų | 81.1 | 83% | 0.83 | 40% | 0.402 | S | S | * | . | trans | -91.4 | 93 | -178.9 | -69.8 | -172.5 | 179.8 | -179.3 | 0 | 110.6 | T548 | T548-K550 VanDerWaalsContact C-N 3.31Å; T548-K550 PolarHBondContact O-N 2.9Å | ||
| 551 | R | 63.3 | Low | 81.2 | Confident | 203 Ų | 203 | 76.9 Ų | 76.9 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | trans | -86.4 | -12.4 | -166.6 | -64.3 | -178.1 | 179.8 | -175.6 | -2.6 | 117.2 | A549 T553 | A549-R551 PolarHBondContact O-N 3.07Å; R551-T553 PolarHBondContact O-N 2.96Å; R551-T553 VanDerWaalsContact O-N 3.15Å | ||
| 552 | R | 64.2 | Low | 81.2 | Confident | 239 Ų | 239 | 76.9 Ų | 76.9 | 90% | 0.902 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.9 | -156 | -75.2 | -171 | -179.9 | -170 | 0.1 | 116.7 | ||
| 553 | T | 67.8 | Low | 81 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -3.5 | -177.2 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | D538 R551 | D538-T553 PolarHBondContact O-OG1 2.69Å; R551-T553 PolarHBondContact O-N 2.96Å; R551-T553 VanDerWaalsContact O-N 3.15Å |
| 554 | R | 82.5 | Confident | 80.7 | Confident | 43 Ų | 43 | 80 Ų | 80 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -82.2 | 135.5 | -177 | -172.9 | 176.3 | -70.8 | 151.5 | -8.5 | 110.7 | A536 W537 F546 T548 | A536-R554 HydrophobicContact CB-CG 3.9Å; W537-R554 CarbonylContact O-C 3.52Å; W537-R554 WeakPolarHBondContact O-CA 3.41Å; W537-R554 WeakPolarHBondContact O-CG 3.48Å; F546-R554 VanDerWaalsContact O-CZ 3.23Å; F546-R554 PolarHBondContact O-NH1 2.85Å; F546-R554 PolarHBondContact O-NH2 3.26Å; T548-R554 PolarHBondContact OG1-NH1 3.12Å; T548-R554 PolarHBondContact OG1-NH2 2.88Å | ||
| 555 | R | 87.5 | Confident | 80.3 | Confident | 65 Ų | 65 | 81 Ų | 81 | 25% | 0.245 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 122.7 | 176.7 | -52.7 | -66.8 | 176 | 146.1 | 8.5 | 110.5 | W537 H566 D569 | W537-R555 HydrophobicContact CB-CB 4.2Å; W537-R555 PolarHBondContact N-O 3.35Å; W537-R555 PolarHBondContact O-N 2.85Å; R555-H566 HydrophobicContact CB-CB 4.4Å; R555-H566 WeakPolarHBondContact CD-O 3.29Å; R555-H566 VanDerWaalsContact CG-O 3.29Å; R555-H566 WeakPolarHBondContact CG-O 3.28Å; R555-H566 PolarHBondContact NE-O 3.47Å; R555-D569 IonicContact CZ-OD2 2.91Å; R555-D569 IonicContact NH2-OD2 2.71Å; R555-D569 PolarHBondContact NH2-OD2 2.71Å |
| 556 | Q | 91.2 | Very high | 80 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | trans | -142.8 | 135.6 | 172 | -171.2 | -178.8 | 48.9 | 0 | 0 | 108.8 | E442 P533 C535 A536 I558 | E442-Q556 HydrophobicContact CB-CB 4.2Å; E442-Q556 PolarHBondContact OE2-N 2.89Å; P533-Q556 PolarHBondContact O-NE2 2.99Å; C535-Q556 PolarHBondContact O-NE2 2.99Å; A536-Q556 HydrophobicContact CB-CB 3.93Å; A536-Q556 HydrophobicContact CB-CG 4.36Å; Q556-I558 HydrophobicContact CG-CD1 3.66Å; Q556-I558 HydrophobicContact CG-CG1 4.04Å | ||
| 557 | D | 90.1 | Very high | 79.9 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.053 | 38% | 0.382 | C | S | . | . | trans | -142.1 | 93.9 | 172.3 | 178 | 13.2 | 0 | 0 | 0 | 109.1 | R559 N560 G561 D562 H566 | D557-R559 PolarHBondContact OD1-N 2.85Å; D557-N560 PolarHBondContact OD1-N 3.03Å; D557-N560 PolarHBondContact OD1-ND2 3.34Å; D557-N560 WeakPolarHBondContact OD2-CB 3.46Å; D557-G561 VanDerWaalsContact CG-N 3.31Å; D557-G561 VanDerWaalsContact O-CA 3.27Å; D557-G561 WeakPolarHBondContact O-CA 3.29Å; D557-G561 PolarHBondContact O-N 3.32Å; D557-G561 PolarHBondContact OD2-N 2.97Å; D557-D562 PolarHBondContact OD2-N 3.43Å; D557-H566 IonicContact OD2-CD2 3.24Å; D557-H566 IonicContact OD2-NE2 3.21Å | ||
| 558 | I | 92.1 | Very high | 79.7 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -75.9 | -42.6 | 180 | -53.9 | -51.7 | 0 | 0 | 0 | 109.9 | A441 Y446 I464 R531 D532 P533 Q556 | A441-I558 HydrophobicContact CB-CG1 4.09Å; Y446-I558 HydrophobicContact CD1-CG2 3.92Å; Y446-I558 HydrophobicContact CD2-CB 4.4Å; Y446-I558 HydrophobicContact CD2-CG1 4.42Å; Y446-I558 HydrophobicContact CD2-CG2 4.12Å; Y446-I558 HydrophobicContact CE1-CB 4.29Å; Y446-I558 HydrophobicContact CE1-CG2 3.66Å; Y446-I558 HydrophobicContact CE2-CB 3.81Å; Y446-I558 HydrophobicContact CE2-CG1 4.08Å; Y446-I558 HydrophobicContact CE2-CG2 3.88Å; Y446-I558 HydrophobicContact CG-CG2 4.13Å; I464-I558 HydrophobicContact CD1-CG2 3.84Å; I464-I558 WeakPolarHBondContact CD1-O 2.99Å; I464-I558 HydrophobicContact CG1-CG2 4.12Å; R531-I558 PolarHBondContact NE-O 2.96Å; D532-I558 VanDerWaalsContact C-CD1 3.46Å; D532-I558 WeakPolarHBondContact O-CD1 3.41Å; P533-I558 HydrophobicContact CG-CD1 4.4Å; P533-I558 HydrophobicContact CG-CG1 4.45Å; P533-I558 HydrophobicContact CG-CG2 4.18Å; Q556-I558 HydrophobicContact CG-CD1 3.66Å; Q556-I558 HydrophobicContact CG-CG1 4.04Å |
| 559 | R | 89 | Confident | 79.4 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -66.3 | -49.7 | -171.8 | -168.4 | 173.6 | -177.1 | -173.6 | -2.8 | 112.6 | I464 K466 R531 D557 | I464-R559 HydrophobicContact CG2-CG 4.31Å; K466-R559 PolarHBondContact O-NE 2.88Å; K466-R559 PolarHBondContact O-NH2 3.18Å; R531-R559 PolarHBondContact NH2-O 2.95Å; D557-R559 PolarHBondContact OD1-N 2.85Å |
| 560 | N | 87.3 | Confident | 79.2 | Confident | 102 Ų | 102 | 76.4 Ų | 76.4 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -105.9 | -29.1 | -175.3 | -38.7 | -70 | 0 | 0 | 0 | 112.3 | D557 D562 | D557-N560 PolarHBondContact OD1-N 3.03Å; D557-N560 PolarHBondContact OD1-ND2 3.34Å; D557-N560 WeakPolarHBondContact OD2-CB 3.46Å; N560-D562 HydrophobicContact CB-CB 4.43Å |
| 561 | G | 88.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | 60.7 | 45.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L529 D557 P563 | L529-G561 WeakPolarHBondContact CD2-O 3.49Å; D557-G561 VanDerWaalsContact CG-N 3.31Å; D557-G561 VanDerWaalsContact O-CA 3.27Å; D557-G561 WeakPolarHBondContact O-CA 3.29Å; D557-G561 PolarHBondContact O-N 3.32Å; D557-G561 PolarHBondContact OD2-N 2.97Å; G561-P563 WeakPolarHBondContact O-CD 3Å | ||
| 562 | D | 88.3 | Confident | 77.7 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -95.6 | 100.6 | -175.6 | -179.7 | 13.9 | 0 | 0 | 0 | 112.5 | D557 N560 L564 T565 H566 | D557-D562 PolarHBondContact OD2-N 3.43Å; N560-D562 HydrophobicContact CB-CB 4.43Å; D562-L564 VanDerWaalsContact C-N 3.32Å; D562-L564 PolarHBondContact O-N 3.03Å; D562-L564 WeakPolarHBondContact OD1-CB 3.44Å; D562-L564 PolarHBondContact OD1-N 3.18Å; D562-T565 PolarHBondContact O-OG1 3.26Å; D562-T565 WeakPolarHBondContact OD2-CB 3.46Å; D562-T565 WeakPolarHBondContact OD2-CG2 3.35Å; D562-T565 PolarHBondContact OD2-OG1 3.04Å; D562-H566 PolarHBondContact O-CD2 2.86Å; D562-H566 VanDerWaalsContact O-CD2 3.29Å | ||
| 563 | P | 87.5 | Confident | 76.3 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.9 | -20.9 | 175.9 | 31 | -37.8 | 0 | 0 | 0 | 113.6 | A525 C528 L529 G561 C567 F657 | A525-P563 HydrophobicContact CB-CB 3.63Å; A525-P563 HydrophobicContact CB-CG 4.44Å; C528-P563 HydrophobicContact CB-CB 4.33Å; L529-P563 HydrophobicContact CD1-CG 4.41Å; L529-P563 HydrophobicContact CD2-CG 4.11Å; L529-P563 HydrophobicContact CG-CG 4.05Å; G561-P563 WeakPolarHBondContact O-CD 3Å; P563-C567 WeakPolarHBondContact O-CA 3.36Å; P563-C567 VanDerWaalsContact O-CB 3.24Å; P563-C567 WeakPolarHBondContact O-CB 3.36Å; P563-C567 PolarHBondContact O-N 2.05Å; P563-F657 HydrophobicContact CB-CD2 4.08Å; P563-F657 HydrophobicContact CB-CE2 4.23Å; P563-F657 HydrophobicContact CB-CG 4.31Å; P563-F657 HydrophobicContact CG-CB 3.54Å; P563-F657 HydrophobicContact CG-CD1 4Å; P563-F657 HydrophobicContact CG-CD2 3.4Å; P563-F657 HydrophobicContact CG-CE2 4.04Å; P563-F657 HydrophobicContact CG-CG 3.36Å |
| 564 | L | 85.2 | Confident | 74.7 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | -173.8 | -68.6 | 171.8 | 0 | 0 | 0 | 112.2 | D562 S568 F657 | D562-L564 VanDerWaalsContact C-N 3.32Å; D562-L564 PolarHBondContact O-N 3.03Å; D562-L564 WeakPolarHBondContact OD1-CB 3.44Å; D562-L564 PolarHBondContact OD1-N 3.18Å; L564-S568 PolarHBondContact O-OG 3.46Å; L564-F657 HydrophobicContact CD2-CD2 3.82Å; L564-F657 HydrophobicContact CD2-CE2 4.18Å; L564-F657 HydrophobicContact CG-CD2 4.15Å |
| 565 | T | 84.8 | Confident | 72.3 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -88.6 | -34.5 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | D562 S568 | D562-T565 PolarHBondContact O-OG1 3.26Å; D562-T565 WeakPolarHBondContact OD2-CB 3.46Å; D562-T565 WeakPolarHBondContact OD2-CG2 3.35Å; D562-T565 PolarHBondContact OD2-OG1 3.04Å; T565-S568 PolarHBondContact O-OG 3.44Å |
| 566 | H | 83.3 | Confident | 70 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 26% | 0.259 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -89.8 | -23.4 | -174.1 | -73.1 | -88.3 | 0 | 0 | 0 | 114.3 | R555 D557 D562 | R555-H566 HydrophobicContact CB-CB 4.4Å; R555-H566 WeakPolarHBondContact CD-O 3.29Å; R555-H566 VanDerWaalsContact CG-O 3.29Å; R555-H566 WeakPolarHBondContact CG-O 3.28Å; R555-H566 PolarHBondContact NE-O 3.47Å; D557-H566 IonicContact OD2-CD2 3.24Å; D557-H566 IonicContact OD2-NE2 3.21Å; D562-H566 PolarHBondContact O-CD2 2.86Å; D562-H566 VanDerWaalsContact O-CD2 3.29Å |
| 567 | C | 83.4 | Confident | 67.4 | Low | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -116 | 10.7 | -175.3 | -59.2 | 0 | 0 | 0 | 0 | 114.6 | C524 P563 D569 L570 | C524-C567 HydrophobicContact CB-CB 3.74Å; C524-C567 WeakPolarHBondContact CB-SG 3.21Å; C524-C567 PolarHBondContact O-SG 2.94Å; C524-C567 WeakPolarHBondContact SG-CB 3.35Å; C524-C567 CovalentContact SG-SG 2.04Å; C524-C567 PolarHBondContact SG-SG 3.38Å; P563-C567 WeakPolarHBondContact O-CA 3.36Å; P563-C567 VanDerWaalsContact O-CB 3.24Å; P563-C567 WeakPolarHBondContact O-CB 3.36Å; P563-C567 PolarHBondContact O-N 2.05Å; C567-D569 VanDerWaalsContact C-N 3.33Å; C567-D569 PolarHBondContact O-N 2.91Å; C567-L570 PolarHBondContact O-N 3.48Å |
| 568 | S | 71.1 | Confident | 65.1 | Low | 42 Ų | 42 | 84.1 Ų | 84.1 | 29% | 0.294 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -61.9 | -36.9 | -174.9 | -13.9 | 0 | 0 | 0 | 0 | 112.9 | L564 T565 L570 Q571 | L564-S568 PolarHBondContact O-OG 3.46Å; T565-S568 PolarHBondContact O-OG 3.44Å; S568-L570 PolarHBondContact O-N 2.62Å; S568-L570 VanDerWaalsContact O-N 3.16Å; S568-Q571 PolarHBondContact O-N 3.28Å |
| 569 | D | 62.2 | Low | 63.1 | Low | 104 Ų | 104 | 90.3 Ų | 90.3 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -66.7 | -16.9 | -177 | -57.4 | -30.1 | 0 | 0 | 0 | 113.6 | R555 C567 | R555-D569 IonicContact CZ-OD2 2.91Å; R555-D569 IonicContact NH2-OD2 2.71Å; R555-D569 PolarHBondContact NH2-OD2 2.71Å; C567-D569 VanDerWaalsContact C-N 3.33Å; C567-D569 PolarHBondContact O-N 2.91Å |
| 570 | L | 56.5 | Low | 61.5 | Low | 96 Ų | 96 | 93.1 Ų | 93.1 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -93.7 | -8.1 | -179.9 | -71 | 161.9 | 0 | 0 | 0 | 113.2 | C524 W537 C567 S568 | C524-L570 HydrophobicContact CB-CD1 3.61Å; W537-L570 HydrophobicContact CZ2-CD1 4.48Å; C567-L570 PolarHBondContact O-N 3.48Å; S568-L570 PolarHBondContact O-N 2.62Å; S568-L570 VanDerWaalsContact O-N 3.16Å |
| 571 | Q | 50.4 | Low | 60.9 | Low | 130 Ų | 130 | 91.1 Ų | 91.1 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -83.1 | -14 | 174.5 | -69.4 | -178.9 | -6 | 0 | 0 | 112.7 | S568 | S568-Q571 PolarHBondContact O-N 3.28Š|
| 572 | H | 39.4 | Very low | 60.5 | Low | 160 Ų | 160 | 96 Ų | 96 | 74% | 0.741 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -107.8 | -3 | -168.6 | -86.5 | -54.5 | 0 | 0 | 0 | 116.7 | D574 | H572-D574 PolarHBondContact O-N 3.01Š|
| 573 | H | 34.9 | Very low | 60.6 | Low | 167 Ų | 167 | 99.4 Ų | 99.4 | 77% | 0.773 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -95.4 | 95 | 173.3 | -87.9 | -62.5 | 0 | 0 | 0 | 111.6 | N575 | H573-N575 PolarHBondContact O-N 3.35Š|
| 574 | D | 32.9 | Very low | 60.9 | Low | 156 Ų | 156 | 103.1 Ų | 103.1 | 83% | 0.834 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 11.9 | 69.7 | 151.5 | -67 | -36.9 | 0 | 0 | 0 | 116.8 | H572 | H572-D574 PolarHBondContact O-N 3.01Š|
| 575 | N | 33 | Very low | 61.3 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | trans | -159.8 | 99.6 | 148.7 | -124.3 | -25 | 0 | 0 | 0 | 109.4 | H573 S577 G578 | H573-N575 PolarHBondContact O-N 3.35Å; N575-S577 PolarHBondContact O-N 3.09Å; N575-S577 PolarHBondContact OD1-OG 3.33Å; N575-G578 PolarHBondContact O-N 3.23Å | ||
| 576 | P | 38 | Very low | 61.7 | Low | 138 Ų | 138 | 101.3 Ų | 101.3 | 90% | 0.896 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -4 | 165.3 | -16.5 | 30.1 | 0 | 0 | 0 | 112.9 | ||
| 577 | S | 36.6 | Very low | 62.2 | Low | 85 Ų | 85 | 105.2 Ų | 105.2 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 6.1 | -172.2 | -7.3 | 0 | 0 | 0 | 0 | 114.3 | N575 | N575-S577 PolarHBondContact O-N 3.09Å; N575-S577 PolarHBondContact OD1-OG 3.33Å |
| 578 | G | 41.5 | Very low | 62.5 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 63% | 0.629 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -97.7 | -18.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | N575 | N575-G578 PolarHBondContact O-N 3.23Š|
| 579 | Q | 52.1 | Low | 63.5 | Low | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -99.1 | 117.8 | 164.1 | -71.7 | -177.9 | -6.3 | 0 | 0 | 105.9 | L581 | Q579-L581 PolarHBondContact O-N 3.28Š|
| 580 | N | 55.5 | Low | 64.8 | Low | 168 Ų | 168 | 102 Ų | 102 | 90% | 0.898 | 53% | 0.533 | S | S | * | . | trans | -62.8 | 78.9 | 167.2 | -76.6 | -29.7 | 0 | 0 | 0 | 107.7 | E582 | N580-E582 PolarHBondContact O-N 3.24Š| ||
| 581 | L | 73.4 | Confident | 66.4 | Low | 61 Ų | 61 | 102.9 Ų | 102.9 | 32% | 0.319 | 54% | 0.538 | S | S | . | . | trans | -60.2 | 119.7 | 169.5 | -177.9 | 70.6 | 0 | 0 | 0 | 105.6 | Q579 E583 T660 K663 | Q579-L581 PolarHBondContact O-N 3.28Å; L581-E583 PolarHBondContact O-N 2.91Å; L581-E583 VanDerWaalsContact O-N 3.13Å; L581-T660 HydrophobicContact CD1-CG2 3.61Å; L581-K663 HydrophobicContact CD2-CB 3.87Å; L581-K663 HydrophobicContact CD2-CD 4.21Å; L581-K663 HydrophobicContact CG-CB 4.33Å | ||
| 582 | E | 81.5 | Confident | 68.3 | Low | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 119.2 | 178.5 | -166.5 | 178.3 | 164.9 | 0 | 0 | 107.5 | N580 K584 L662 K663 | N580-E582 PolarHBondContact O-N 3.24Å; E582-K584 WeakPolarHBondContact OE1-CE 3.33Å; E582-K584 IonicContact OE1-NZ 3.05Å; E582-K584 PolarHBondContact OE1-NZ 3.17Å; E582-L662 HydrophobicContact CB-CD1 3.8Å; E582-L662 HydrophobicContact CG-CD1 3.75Å; E582-L662 WeakPolarHBondContact O-CD1 3.42Å; E582-K663 PolarHBondContact O-N 3.31Å |
| 583 | E | 89.9 | Confident | 70.9 | Confident | 121 Ų | 121 | 95 Ų | 95 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.3 | 175.7 | -59.5 | -159.1 | 158.8 | 0 | 0 | 108.9 | L581 K663 | L581-E583 PolarHBondContact O-N 2.91Å; L581-E583 VanDerWaalsContact O-N 3.13Å; E583-K663 CarbonylContact C-O 3.59Å; E583-K663 VanDerWaalsContact CA-O 3.31Å; E583-K663 WeakPolarHBondContact CA-O 3.25Å; E583-K663 HydrophobicContact CG-CB 4.35Å; E583-K663 HydrophobicContact CG-CD 4.24Å; E583-K663 WeakPolarHBondContact OE1-CD 3.08Å; E583-K663 IonicContact OE1-NZ 3.85Å; E583-K663 PolarHBondContact OE1-NZ 3.39Å; E583-K663 IonicContact OE2-NZ 2.63Å |
| 584 | K | 92.6 | Very high | 73.7 | Confident | 81 Ų | 81 | 87.9 Ų | 87.9 | 35% | 0.352 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.6 | 175.6 | -75.1 | -179 | 179.3 | 153.4 | 0 | 110 | E582 L662 K663 V664 T665 | E582-K584 WeakPolarHBondContact OE1-CE 3.33Å; E582-K584 IonicContact OE1-NZ 3.05Å; E582-K584 PolarHBondContact OE1-NZ 3.17Å; K584-L662 HydrophobicContact CB-CD1 4.44Å; K584-L662 HydrophobicContact CD-CD1 3.97Å; K584-L662 HydrophobicContact CG-CD1 4.04Å; K584-K663 PolarHBondContact N-O 3.09Å; K584-V664 CarbonylContact O-C 3.5Å; K584-V664 VanDerWaalsContact O-CA 3.3Å; K584-V664 WeakPolarHBondContact O-CA 3.39Å; K584-T665 PolarHBondContact O-N 3.21Å |
| 585 | I | 93.6 | Very high | 76.7 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125 | 168.9 | -54.2 | 176.4 | 0 | 0 | 0 | 106.8 | Y587 T665 | I585-Y587 HydrophobicContact CG2-CD2 4.43Å; I585-Y587 HydrophobicContact CG2-CE2 3.72Å; I585-T665 CarbonylContact C-O 3.59Å; I585-T665 WeakPolarHBondContact CA-O 3.44Å |
| 586 | I | 94.2 | Very high | 79.6 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.9 | 179.1 | -61.8 | -175.3 | 0 | 0 | 0 | 107.8 | T594 L596 V664 T665 L666 E667 | I586-T594 HydrophobicContact CG2-CG2 4.27Å; I586-L596 HydrophobicContact CD1-CD2 3.91Å; I586-V664 HydrophobicContact CB-CG1 4.26Å; I586-V664 HydrophobicContact CD1-CG1 3.69Å; I586-V664 HydrophobicContact CG1-CG1 3.82Å; I586-T665 PolarHBondContact N-O 2.63Å; I586-L666 HydrophobicContact CB-CD1 4.29Å; I586-L666 HydrophobicContact CG2-CD1 4.06Å; I586-L666 WeakPolarHBondContact O-CA 2.97Å; I586-E667 PolarHBondContact O-N 2.83Å |
| 587 | Y | 92.5 | Very high | 82.2 | Confident | 138 Ų | 138 | 78.4 Ų | 78.4 | 54% | 0.541 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.6 | 174 | -64.3 | -88.2 | 0 | 0 | 0 | 108.9 | I585 E667 I669 | I585-Y587 HydrophobicContact CG2-CD2 4.43Å; I585-Y587 HydrophobicContact CG2-CE2 3.72Å; Y587-E667 WeakPolarHBondContact CA-O 3.29Å; Y587-E667 HydrophobicContact CD1-CB 3.89Å; Y587-E667 HydrophobicContact CE1-CB 4Å; Y587-E667 HydrophobicContact CE1-CG 4.41Å; Y587-E667 WeakPolarHBondContact CE1-OE2 3.26Å; Y587-I669 HydrophobicContact CD1-CD1 4.16Å; Y587-I669 HydrophobicContact CD1-CG1 4.5Å |
| 588 | G | 91.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L640 E667 V668 I669 | G588-L640 VanDerWaalsContact CA-CD1 3.45Å; G588-E667 PolarHBondContact N-O 2.93Å; G588-V668 CarbonylContact O-C 3.59Å; G588-V668 WeakPolarHBondContact O-CA 3.25Å; G588-I669 PolarHBondContact O-N 2.88Å |
| 589 | V | 90.5 | Very high | 87 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 140.7 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | N591 S592 I669 T671 L674 | V589-N591 PolarHBondContact O-N 3.45Å; V589-S592 VanDerWaalsContact O-CB 3.31Å; V589-S592 WeakPolarHBondContact O-CB 3.46Å; V589-S592 PolarHBondContact O-N 3.01Å; V589-S592 PolarHBondContact O-OG 2.88Å; V589-I669 WeakPolarHBondContact CA-O 3.48Å; V589-T671 HydrophobicContact CG1-CG2 4.13Å; V589-L674 HydrophobicContact CG1-CD2 3.89Å; V589-L674 HydrophobicContact CG2-CD2 3.95Å |
| 590 | E | 91.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 69.8 Ų | 69.8 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 140.3 | 175.7 | -174.6 | 161.1 | -135.1 | 0 | 0 | 111.5 | S592 V668 I669 T671 | E590-S592 PolarHBondContact O-N 3.34Å; E590-S592 VanDerWaalsContact O-N 3.14Å; E590-V668 HydrophobicContact CB-CG1 4.26Å; E590-I669 PolarHBondContact N-O 3.48Å; E590-T671 HydrophobicContact CB-CG2 4.26Å |
| 591 | N | 88.9 | Confident | 90.2 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -3.1 | -171.9 | -54.5 | -49.7 | 0 | 0 | 0 | 116.8 | V589 L640 | V589-N591 PolarHBondContact O-N 3.45Å; N591-L640 PolarHBondContact N-O 2.91Å |
| 592 | S | 91.8 | Very high | 91 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -83.5 | 173.3 | 170.9 | 91.8 | 0 | 0 | 0 | 0 | 111.7 | V589 E590 S639 L640 | V589-S592 VanDerWaalsContact O-CB 3.31Å; V589-S592 WeakPolarHBondContact O-CB 3.46Å; V589-S592 PolarHBondContact O-N 3.01Å; V589-S592 PolarHBondContact O-OG 2.88Å; E590-S592 PolarHBondContact O-N 3.34Å; E590-S592 VanDerWaalsContact O-N 3.14Å; S592-S639 CarbonylContact O-C 3.56Å; S592-S639 WeakPolarHBondContact O-CA 3.4Å; S592-L640 PolarHBondContact O-N 3.17Å |
| 593 | S | 92.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | trans | -104.1 | 148 | 174.3 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | L637 R638 | S593-L637 CarbonylContact C-O 3.58Å; S593-L637 WeakPolarHBondContact CA-O 3.01Å; S593-L637 WeakPolarHBondContact CB-O 3.27Å; S593-R638 WeakPolarHBondContact CB-O 3.35Å | ||
| 594 | T | 94.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.3 | 178.7 | -94.8 | 0 | 0 | 0 | 0 | 110.4 | I586 L596 L637 L666 | I586-T594 HydrophobicContact CG2-CG2 4.27Å; T594-L596 HydrophobicContact CG2-CD2 3.52Å; T594-L596 HydrophobicContact CG2-CG 4.4Å; T594-L637 HydrophobicContact CG2-CD1 4.42Å; T594-L637 PolarHBondContact N-O 2.93Å; T594-L637 PolarHBondContact O-N 2.83Å; T594-L666 HydrophobicContact CG2-CD1 4.09Å |
| 595 | F | 94.3 | Very high | 91.2 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.4 | 176.7 | -176.5 | -112.2 | 0 | 0 | 0 | 110.1 | E597 T631 Q633 L635 L636 | F595-E597 HydrophobicContact CD1-CB 4.13Å; F595-E597 HydrophobicContact CE1-CB 3.85Å; F595-E597 HydrophobicContact CE1-CG 4.15Å; F595-E597 PolarHBondContact O-N 3.14Å; F595-T631 HydrophobicContact CE2-CG2 4.36Å; F595-T631 WeakPolarHBondContact CE2-OG1 3.22Å; F595-Q633 HydrophobicContact CE1-CB 4.43Å; F595-Q633 HydrophobicContact CZ-CB 3.96Å; F595-Q633 WeakPolarHBondContact CZ-O 3.49Å; F595-L635 WeakPolarHBondContact CA-O 3.29Å; F595-L636 HydrophobicContact CB-CD1 4.23Å; F595-L636 HydrophobicContact CD2-CB 3.95Å; F595-L636 HydrophobicContact CD2-CD1 4.28Å; F595-L636 HydrophobicContact CE2-CB 4.49Å |
| 596 | L | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 96.2 | 174.4 | -45.3 | -175.5 | 0 | 0 | 0 | 107.9 | I586 T594 C598 W609 G634 L635 L637 Y648 V664 | I586-L596 HydrophobicContact CD1-CD2 3.91Å; T594-L596 HydrophobicContact CG2-CD2 3.52Å; T594-L596 HydrophobicContact CG2-CG 4.4Å; L596-C598 PolarHBondContact O-N 3.43Å; L596-W609 HydrophobicContact CB-CH2 3.74Å; L596-W609 HydrophobicContact CB-CZ2 4.24Å; L596-W609 HydrophobicContact CB-CZ3 4.35Å; L596-W609 HydrophobicContact CD1-CZ3 4.4Å; L596-W609 WeakPolarHBondContact O-CZ2 3.1Å; L596-G634 CarbonylContact O-C 3.56Å; L596-G634 WeakPolarHBondContact O-CA 3.43Å; L596-L635 HydrophobicContact CB-CB 4.33Å; L596-L635 HydrophobicContact CD1-CD2 4.19Å; L596-L635 PolarHBondContact N-O 3.07Å; L596-L635 PolarHBondContact O-N 3.39Å; L596-L637 HydrophobicContact CD1-CD1 3.94Å; L596-L637 HydrophobicContact CD2-CD1 4.42Å; L596-L637 HydrophobicContact CG-CD1 3.8Å; L596-Y648 HydrophobicContact CD1-CD1 3.56Å; L596-Y648 HydrophobicContact CD1-CD2 3.9Å; L596-Y648 HydrophobicContact CD1-CE1 4.07Å; L596-Y648 HydrophobicContact CD1-CE2 4.39Å; L596-Y648 HydrophobicContact CD1-CG 3.49Å; L596-Y648 VanDerWaalsContact CD1-CG 3.49Å; L596-V664 HydrophobicContact CD2-CG1 4.11Å |
| 597 | E | 93 | Very high | 90.6 | Very high | 124 Ų | 124 | 54.7 Ų | 54.7 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127 | -179.1 | -172.8 | 178.5 | -170.6 | 0 | 0 | 111.1 | F595 Q633 L662 | F595-E597 HydrophobicContact CD1-CB 4.13Å; F595-E597 HydrophobicContact CE1-CB 3.85Å; F595-E597 HydrophobicContact CE1-CG 4.15Å; F595-E597 PolarHBondContact O-N 3.14Å; E597-Q633 WeakPolarHBondContact CA-O 3.17Å; E597-L662 WeakPolarHBondContact O-CD2 3.28Å |
| 598 | C | 91.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | trans | -152.1 | 110.9 | 170.2 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | L596 W609 Q633 C650 L662 | L596-C598 PolarHBondContact O-N 3.43Å; C598-W609 HydrophobicContact CB-CH2 3.8Å; C598-W609 HydrophobicContact CB-CZ2 3.38Å; C598-Q633 CarbonylContact C-O 3.59Å; C598-Q633 PolarHBondContact N-O 3Å; C598-Q633 CarbonylContact O-C 3.55Å; C598-Q633 VanDerWaalsContact O-C 3.29Å; C598-C650 HydrophobicContact CB-CB 3.68Å; C598-C650 WeakPolarHBondContact CB-SG 3.37Å; C598-C650 WeakPolarHBondContact SG-CB 3.29Å; C598-C650 CovalentContact SG-SG 2.01Å; C598-C650 PolarHBondContact SG-SG 2.64Å; C598-L662 HydrophobicContact CB-CD2 4.3Å | ||
| 599 | S | 88.2 | Confident | 90.5 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | trans | -122.7 | 120.3 | 179.5 | -173.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 600 | P | 88.3 | Confident | 90.6 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | trans | -70.1 | 148 | 175.2 | 28.9 | -31.8 | 0 | 0 | 0 | 110.1 | S602 A605 V607 A652 L661 | P600-S602 VanDerWaalsContact C-N 3.29Å; P600-S602 PolarHBondContact O-N 3.26Å; P600-A605 HydrophobicContact CB-CB 3.87Å; P600-A605 HydrophobicContact CG-CB 4.01Å; P600-V607 VanDerWaalsContact CD-CG2 3.49Å; P600-V607 HydrophobicContact CG-CG2 3.94Å; P600-A652 HydrophobicContact CB-CB 4.23Å; P600-L661 HydrophobicContact CB-CD1 3.93Å | ||
| 601 | K | 85.9 | Confident | 90.7 | Very high | 129 Ų | 129 | 49 Ų | 49 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -60.8 | -42.2 | 170.4 | -69.1 | -175.1 | 175.5 | -176.2 | 0 | 111.6 | L32 Q603 | L32-K601 HydrophobicContact CD2-CB 4.07Å; L32-K601 WeakPolarHBondContact CD2-O 3.25Å; K601-Q603 PolarHBondContact O-N 3.22Å; K601-Q603 PolarHBondContact O-NE2 3.04Å |
| 602 | S | 89.6 | Confident | 90.8 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | trans | -73.5 | 121 | 177.8 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | R31 P600 R604 A605 E654 | R31-S602 CarbonylContact O-C 3.59Å; R31-S602 WeakPolarHBondContact O-CA 3.38Å; P600-S602 VanDerWaalsContact C-N 3.29Å; P600-S602 PolarHBondContact O-N 3.26Å; S602-R604 PolarHBondContact O-N 3.23Å; S602-R604 PolarHBondContact OG-N 3.32Å; S602-A605 WeakPolarHBondContact O-CB 3.12Å; S602-A605 PolarHBondContact O-N 3.47Å; S602-A605 PolarHBondContact OG-N 3.1Å; S602-E654 VanDerWaalsContact OG-CD 3.31Å; S602-E654 PolarHBondContact OG-OE1 3.37Å; S602-E654 PolarHBondContact OG-OE2 3.23Å | ||
| 603 | Q | 89.9 | Confident | 90.7 | Very high | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.9 | 173.9 | -49.7 | -60.8 | -65.2 | 0 | 0 | 112.5 | V29 P30 R31 K33 K601 | V29-Q603 HydrophobicContact CG1-CB 3.84Å; P30-Q603 VanDerWaalsContact O-CB 3.3Å; P30-Q603 WeakPolarHBondContact O-CB 3.33Å; R31-Q603 PolarHBondContact O-N 3.39Å; K33-Q603 HydrophobicContact CB-CG 4.4Å; K601-Q603 PolarHBondContact O-N 3.22Å; K601-Q603 PolarHBondContact O-NE2 3.04Å |
| 604 | R | 88.9 | Confident | 90 | Very high | 15 Ų | 15 | 50 Ų | 50 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -20.6 | 175.3 | -62.3 | 177.1 | 177.9 | 179.3 | -3.7 | 112.3 | N27 V29 L476 S602 | N27-R604 PolarHBondContact O-NH2 3.34Å; V29-R604 PolarHBondContact O-NE 3.16Å; V29-R604 PolarHBondContact O-NH2 3.43Å; V29-R604 VanDerWaalsContact O-NH2 3.14Å; L476-R604 VanDerWaalsContact N-NH2 3.14Å; L476-R604 PolarHBondContact O-NH2 2.83Å; S602-R604 PolarHBondContact O-N 3.23Å; S602-R604 PolarHBondContact OG-N 3.32Å |
| 605 | A | 89.1 | Confident | 89.1 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | trans | -68.5 | 146.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P600 S602 A652 V653 E654 | P600-A605 HydrophobicContact CB-CB 3.87Å; P600-A605 HydrophobicContact CG-CB 4.01Å; S602-A605 WeakPolarHBondContact O-CB 3.12Å; S602-A605 PolarHBondContact O-N 3.47Å; S602-A605 PolarHBondContact OG-N 3.1Å; A605-A652 HydrophobicContact CB-CB 4.16Å; A605-V653 WeakPolarHBondContact CA-O 3.42Å; A605-E654 HydrophobicContact CB-CB 4.25Å | ||
| 606 | V | 88.6 | Confident | 88.4 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 47% | 0.473 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.5 | 172 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V653 | V606-V653 PolarHBondContact N-O 2.98Å; V606-V653 PolarHBondContact O-N 3.45Å |
| 607 | V | 88.5 | Confident | 87.6 | Confident | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.1 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | P600 C650 Y651 | P600-V607 VanDerWaalsContact CD-CG2 3.49Å; P600-V607 HydrophobicContact CG-CG2 3.94Å; V607-C650 VanDerWaalsContact CG1-SG 3.55Å; V607-Y651 CarbonylContact C-O 3.56Å; V607-Y651 WeakPolarHBondContact CA-O 3.43Å |
| 608 | Y | 88.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.7 | 178.6 | 177.9 | -102.4 | 0 | 0 | 0 | 109.9 | Q610 E621 Y651 M658 | Y608-Q610 HydrophobicContact CD1-CG 4.28Å; Y608-Q610 HydrophobicContact CE1-CG 3.53Å; Y608-E621 HydrophobicContact CE2-CG 3.84Å; Y608-E621 WeakPolarHBondContact CE2-OE1 3.27Å; Y608-E621 WeakPolarHBondContact OH-CG 3.28Å; Y608-Y651 AromaticContact CD1-CD2 3.91Å; Y608-Y651 HydrophobicContact CD1-CD2 3.91Å; Y608-Y651 HydrophobicContact CD1-CG 4.34Å; Y608-Y651 PolarHBondContact N-O 3.44Å; Y608-Y651 PolarHBondContact O-N 2.87Å; Y608-M658 HydrophobicContact CD1-SD 4.3Å |
| 609 | W | 91.4 | Very high | 87 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137 | -176 | -72.6 | 92.9 | 0 | 0 | 0 | 112.4 | L596 C598 I622 L635 F649 C650 V664 | L596-W609 HydrophobicContact CB-CH2 3.74Å; L596-W609 HydrophobicContact CB-CZ2 4.24Å; L596-W609 HydrophobicContact CB-CZ3 4.35Å; L596-W609 HydrophobicContact CD1-CZ3 4.4Å; L596-W609 WeakPolarHBondContact O-CZ2 3.1Å; C598-W609 HydrophobicContact CB-CH2 3.8Å; C598-W609 HydrophobicContact CB-CZ2 3.38Å; W609-I622 HydrophobicContact CB-CD1 3.59Å; W609-I622 HydrophobicContact CB-CG1 4.17Å; W609-I622 HydrophobicContact CG-CD1 4.43Å; W609-I622 PolarHBondContact O-N 2.94Å; W609-L635 HydrophobicContact CD2-CB 4.21Å; W609-L635 HydrophobicContact CD2-CD2 4.49Å; W609-L635 HydrophobicContact CG-CB 4.47Å; W609-L635 HydrophobicContact CZ2-CB 4.08Å; W609-F649 WeakPolarHBondContact CA-O 3.35Å; W609-C650 HydrophobicContact CD2-CB 4.16Å; W609-C650 HydrophobicContact CE3-CB 3.93Å; W609-C650 HydrophobicContact CH2-CB 3.72Å; W609-C650 HydrophobicContact CZ2-CB 3.94Å; W609-C650 HydrophobicContact CZ3-CB 3.7Å; W609-V664 HydrophobicContact CH2-CG2 4.5Å |
| 610 | Q | 92.9 | Very high | 87 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.3 | 167.4 | -62.2 | -175.2 | -39.4 | 0 | 0 | 110.5 | Y608 K619 E620 Y648 F649 Y651 | Y608-Q610 HydrophobicContact CD1-CG 4.28Å; Y608-Q610 HydrophobicContact CE1-CG 3.53Å; Q610-K619 HydrophobicContact CB-CB 4.43Å; Q610-E620 CarbonylContact C-O 3.59Å; Q610-E620 VanDerWaalsContact CA-O 3.29Å; Q610-E620 WeakPolarHBondContact CA-O 3.43Å; Q610-Y648 CarbonylContact O-C 3.52Å; Q610-Y648 WeakPolarHBondContact O-CA 3.08Å; Q610-F649 HydrophobicContact CB-CB 4.42Å; Q610-F649 PolarHBondContact N-O 2.93Å; Q610-F649 PolarHBondContact O-N 2.83Å; Q610-Y651 HydrophobicContact CB-CE2 4.05Å; Q610-Y651 HydrophobicContact CG-CD2 4.29Å; Q610-Y651 HydrophobicContact CG-CE2 3.79Å; Q610-Y651 VanDerWaalsContact OE1-CE2 3.27Å; Q610-Y651 PolarHBondContact OE1-OH 3.15Å |
| 611 | F | 92.9 | Very high | 86.9 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 10% | 0.101 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.6 | 176.6 | 173 | -118.3 | 0 | 0 | 0 | 109.9 | K613 E620 I622 D644 I647 Y648 | F611-K613 HydrophobicContact CD1-CG 4.28Å; F611-K613 HydrophobicContact CE1-CD 4.34Å; F611-K613 HydrophobicContact CE1-CG 3.39Å; F611-K613 HydrophobicContact CZ-CG 3.75Å; F611-E620 PolarHBondContact N-O 3.36Å; F611-E620 PolarHBondContact O-N 2.89Å; F611-I622 HydrophobicContact CB-CD1 4.16Å; F611-I622 HydrophobicContact CB-CG1 3.85Å; F611-D644 WeakPolarHBondContact CE2-O 3.45Å; F611-I647 CarbonylContact C-O 3.41Å; F611-Y648 HydrophobicContact CB-CD1 4.44Å; F611-Y648 HydrophobicContact CB-CE1 4.34Å; F611-Y648 HydrophobicContact CD2-CD1 4.08Å; F611-Y648 AromaticContact CD2-CD2 3.91Å; F611-Y648 HydrophobicContact CD2-CD2 3.91Å; F611-Y648 AromaticContact CD2-CE1 3.72Å; F611-Y648 HydrophobicContact CD2-CE1 3.72Å; F611-Y648 AromaticContact CD2-CE2 3.51Å; F611-Y648 HydrophobicContact CD2-CE2 3.51Å; F611-Y648 HydrophobicContact CD2-CG 4.15Å; F611-Y648 AromaticContact CD2-CZ 3.4Å; F611-Y648 HydrophobicContact CE2-CD2 4.24Å; F611-Y648 HydrophobicContact CE2-CE1 4.37Å; F611-Y648 AromaticContact CE2-CE2 3.52Å; F611-Y648 HydrophobicContact CE2-CE2 3.52Å; F611-Y648 AromaticContact CE2-CZ 3.6Å; F611-Y648 HydrophobicContact CG-CE1 4.26Å |
| 612 | Q | 92.4 | Very high | 87 | Confident | 28 Ų | 28 | 66 Ų | 66 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.7 | 174.8 | -177.9 | 179.7 | 7.3 | 0 | 0 | 108.3 | D616 K619 G646 I647 F649 | Q612-D616 VanDerWaalsContact CG-O 3.27Å; Q612-D616 WeakPolarHBondContact CG-O 3.4Å; Q612-D616 PolarHBondContact NE2-O 2.89Å; Q612-K619 HydrophobicContact CB-CG 4.34Å; Q612-G646 CarbonylContact O-C 3.54Å; Q612-G646 WeakPolarHBondContact O-CA 3.41Å; Q612-I647 HydrophobicContact CB-CB 4.33Å; Q612-I647 PolarHBondContact N-O 2.73Å; Q612-I647 PolarHBondContact O-N 3.4Å; Q612-F649 HydrophobicContact CB-CE2 3.97Å |
| 613 | K | 88.3 | Confident | 86.7 | Confident | 91 Ų | 91 | 74.2 Ų | 74.2 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 149.8 | 175.8 | -72.9 | 175.5 | -176.1 | 159.6 | 0 | 110.2 | F611 S615 D616 | F611-K613 HydrophobicContact CD1-CG 4.28Å; F611-K613 HydrophobicContact CE1-CD 4.34Å; F611-K613 HydrophobicContact CE1-CG 3.39Å; F611-K613 HydrophobicContact CZ-CG 3.75Å; K613-S615 PolarHBondContact O-N 3Å; K613-S615 VanDerWaalsContact O-N 3.11Å; K613-D616 HydrophobicContact CB-CB 4.23Å; K613-D616 PolarHBondContact O-N 2.86Å; K613-D616 VanDerWaalsContact O-N 3.14Å |
| 614 | Q | 79.1 | Confident | 86.3 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.8 | -178 | -152.7 | 165.5 | 18 | 0 | 0 | 113.8 | ||
| 615 | S | 75.7 | Confident | 86.1 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 82% | 0.818 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 5.4 | 179.6 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | K613 | K613-S615 PolarHBondContact O-N 3Å; K613-S615 VanDerWaalsContact O-N 3.11Å |
| 616 | D | 79.9 | Confident | 85.8 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | trans | -135.6 | 136.8 | -175.7 | -166.1 | -9 | 0 | 0 | 0 | 111 | Q612 K613 R618 | Q612-D616 VanDerWaalsContact CG-O 3.27Å; Q612-D616 WeakPolarHBondContact CG-O 3.4Å; Q612-D616 PolarHBondContact NE2-O 2.89Å; K613-D616 HydrophobicContact CB-CB 4.23Å; K613-D616 PolarHBondContact O-N 2.86Å; K613-D616 VanDerWaalsContact O-N 3.14Å; D616-R618 VanDerWaalsContact OD1-CB 3.31Å; D616-R618 WeakPolarHBondContact OD1-CB 3.25Å; D616-R618 PolarHBondContact OD1-N 2.8Å | ||
| 617 | D | 77.6 | Confident | 85.9 | Confident | 150 Ų | 150 | 81.3 Ų | 81.3 | 80% | 0.802 | 40% | 0.398 | S | S | * | . | trans | -80.2 | -10.4 | 173.9 | -76.6 | -26.9 | 0 | 0 | 0 | 112.4 | ||||
| 618 | R | 84.6 | Confident | 85.9 | Confident | 177 Ų | 177 | 81 Ų | 81 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | trans | -79 | 125.8 | -178.5 | -161 | 174.7 | -178.2 | 171.1 | -0.1 | 111.8 | D616 | D616-R618 VanDerWaalsContact OD1-CB 3.31Å; D616-R618 WeakPolarHBondContact OD1-CB 3.25Å; D616-R618 PolarHBondContact OD1-N 2.8Å | ||
| 619 | K | 86.7 | Confident | 85.9 | Confident | 85 Ų | 85 | 81 Ų | 81 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125.4 | 169.2 | -60 | -175.2 | -179.6 | -172.1 | 0 | 110 | Q610 Q612 F649 Y651 | Q610-K619 HydrophobicContact CB-CB 4.43Å; Q612-K619 HydrophobicContact CB-CG 4.34Å; K619-F649 HydrophobicContact CD-CD2 4.21Å; K619-F649 HydrophobicContact CD-CE2 4.16Å; K619-F649 HydrophobicContact CG-CE2 4.5Å; K619-Y651 PolarHBondContact NZ-OH 2.98Å |
| 620 | E | 88.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 145.3 | 177.1 | -62.9 | -171.8 | 160.4 | 0 | 0 | 110.9 | Q610 F611 | Q610-E620 CarbonylContact C-O 3.59Å; Q610-E620 VanDerWaalsContact CA-O 3.29Å; Q610-E620 WeakPolarHBondContact CA-O 3.43Å; F611-E620 PolarHBondContact N-O 3.36Å; F611-E620 PolarHBondContact O-N 2.89Å |
| 621 | E | 86.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 85.5 Ų | 85.5 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.3 | 170.3 | -175.2 | 178.5 | 178.2 | 0 | 0 | 109.9 | Y608 K623 R630 | Y608-E621 HydrophobicContact CE2-CG 3.84Å; Y608-E621 WeakPolarHBondContact CE2-OE1 3.27Å; Y608-E621 WeakPolarHBondContact OH-CG 3.28Å; E621-K623 PolarHBondContact O-N 2.88Å; E621-R630 IonicContact OE1-NH1 3.49Å; E621-R630 IonicContact OE1-NH2 3.7Å; E621-R630 PolarHBondContact OE1-NH2 2.89Å |
| 622 | I | 86.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 92.2 Ų | 92.2 | 5% | 0.046 | 45% | 0.45 | C | S | . | . | trans | -70.1 | 115.4 | 177.2 | -59.1 | -174.7 | 0 | 0 | 0 | 109.5 | W609 F611 M628 R630 L635 Y648 | W609-I622 HydrophobicContact CB-CD1 3.59Å; W609-I622 HydrophobicContact CB-CG1 4.17Å; W609-I622 HydrophobicContact CG-CD1 4.43Å; W609-I622 PolarHBondContact O-N 2.94Å; F611-I622 HydrophobicContact CB-CD1 4.16Å; F611-I622 HydrophobicContact CB-CG1 3.85Å; I622-M628 HydrophobicContact CG2-SD 3.93Å; I622-R630 PolarHBondContact O-NH2 2.03Å; I622-L635 HydrophobicContact CD1-CD2 3.45Å; I622-L635 VanDerWaalsContact CD1-CD2 3.45Å; I622-L635 HydrophobicContact CG2-CD1 4.4Å; I622-L635 HydrophobicContact CG2-CD2 4.45Å; I622-Y648 HydrophobicContact CD1-CD1 3.57Å; I622-Y648 HydrophobicContact CD1-CE1 3.79Å | ||
| 623 | K | 83.5 | Confident | 84.1 | Confident | 180 Ų | 180 | 95.5 Ų | 95.5 | 78% | 0.783 | 47% | 0.465 | S | S | * | . | trans | -78.9 | 122.3 | 171.4 | -65 | -178.9 | -177.4 | 176.2 | 0 | 109.1 | E621 | E621-K623 PolarHBondContact O-N 2.88Š| ||
| 624 | V | 82.3 | Confident | 84.2 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | trans | -72.5 | 130 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | M628 R630 | V624-M628 WeakPolarHBondContact CG1-O 3.39Å; V624-R630 HydrophobicContact CG2-CB 4.49Å; V624-R630 HydrophobicContact CG2-CG 3.72Å | ||
| 625 | D | 84.6 | Confident | 84.9 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | trans | -141.9 | -174.2 | 176.6 | 68.8 | 12.2 | 0 | 0 | 0 | 110.1 | R627 M628 | D625-R627 PolarHBondContact O-N 2.85Å; D625-R627 WeakPolarHBondContact OD1-CA 3.39Å; D625-R627 VanDerWaalsContact OD1-CB 3.28Å; D625-R627 WeakPolarHBondContact OD1-CB 3.4Å; D625-R627 PolarHBondContact OD1-N 3.1Å; D625-M628 PolarHBondContact N-O 2.91Å; D625-M628 CarbonylContact O-C 3.55Å; D625-M628 PolarHBondContact O-N 3.33Å; D625-M628 PolarHBondContact OD1-N 2.9Å | ||
| 626 | D | 83 | Confident | 85.7 | Confident | 149 Ų | 149 | 81.3 Ų | 81.3 | 80% | 0.797 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -61.6 | -16.7 | -179.4 | -74.7 | -24.2 | 0 | 0 | 0 | 113.9 | R638 | D626-R638 VanDerWaalsContact O-CD 3.23Å; D626-R638 WeakPolarHBondContact O-CD 3.2Å; D626-R638 PolarHBondContact O-NH1 2.89Å |
| 627 | R | 89.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 78.3 Ų | 78.3 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -100.1 | -34 | -177.8 | -171.1 | -179.1 | 70.1 | 94.7 | -4.8 | 112.2 | D625 R638 S639 D644 | D625-R627 PolarHBondContact O-N 2.85Å; D625-R627 WeakPolarHBondContact OD1-CA 3.39Å; D625-R627 VanDerWaalsContact OD1-CB 3.28Å; D625-R627 WeakPolarHBondContact OD1-CB 3.4Å; D625-R627 PolarHBondContact OD1-N 3.1Å; R627-R638 WeakPolarHBondContact O-CB 3.45Å; R627-R638 PolarHBondContact O-N 2.85Å; R627-S639 WeakPolarHBondContact CD-O 3.06Å; R627-S639 WeakPolarHBondContact CG-O 3.36Å; R627-S639 PolarHBondContact NH1-O 3.38Å; R627-D644 IonicContact CZ-OD1 3.37Å; R627-D644 IonicContact CZ-OD2 3.66Å; R627-D644 IonicContact NH1-OD1 3.52Å; R627-D644 PolarHBondContact NH1-OD1 3.34Å; R627-D644 IonicContact NH1-OD2 2.71Å; R627-D644 PolarHBondContact NH1-OD2 2.85Å; R627-D644 IonicContact NH2-OD1 3.29Å; R627-D644 PolarHBondContact NH2-OD1 3.23Å; R627-D644 IonicContact NH2-OD2 2.92Å |
| 628 | M | 89.6 | Confident | 87.1 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.5 | 180 | -72.8 | 178.9 | 166.7 | 0 | 0 | 111.1 | I622 V624 D625 L636 L637 D644 | I622-M628 HydrophobicContact CG2-SD 3.93Å; V624-M628 WeakPolarHBondContact CG1-O 3.39Å; D625-M628 PolarHBondContact N-O 2.91Å; D625-M628 CarbonylContact O-C 3.55Å; D625-M628 PolarHBondContact O-N 3.33Å; D625-M628 PolarHBondContact OD1-N 2.9Å; M628-L636 CarbonylContact C-O 3.54Å; M628-L636 WeakPolarHBondContact CA-O 3.25Å; M628-L637 HydrophobicContact CE-CD2 3.64Å; M628-L637 HydrophobicContact CE-CG 4.32Å; M628-L637 HydrophobicContact CG-CG 4.35Å; M628-D644 WeakPolarHBondContact CE-OD1 3.27Å |
| 629 | I | 88.8 | Confident | 87.5 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126 | -177.3 | -61.4 | -175.6 | 0 | 0 | 0 | 110.5 | T631 L636 | I629-T631 HydrophobicContact CG2-CG2 4.34Å; I629-L636 HydrophobicContact CB-CB 4.38Å; I629-L636 PolarHBondContact N-O 2.92Å; I629-L636 PolarHBondContact O-N 3.29Å |
| 630 | R | 87.3 | Confident | 87.7 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.9 | 169.6 | -67.8 | 178.6 | -174.5 | -178.7 | 1.7 | 109.6 | E621 I622 V624 L635 | E621-R630 IonicContact OE1-NH1 3.49Å; E621-R630 IonicContact OE1-NH2 3.7Å; E621-R630 PolarHBondContact OE1-NH2 2.89Å; I622-R630 PolarHBondContact O-NH2 2.03Å; V624-R630 HydrophobicContact CG2-CB 4.49Å; V624-R630 HydrophobicContact CG2-CG 3.72Å; R630-L635 HydrophobicContact CG-CD1 3.98Å |
| 631 | T | 84.2 | Confident | 87.9 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 170.3 | 171.8 | 73.6 | 0 | 0 | 0 | 0 | 109.7 | F595 I629 Q633 G634 | F595-T631 HydrophobicContact CE2-CG2 4.36Å; F595-T631 WeakPolarHBondContact CE2-OG1 3.22Å; I629-T631 HydrophobicContact CG2-CG2 4.34Å; T631-Q633 PolarHBondContact O-N 3.12Å; T631-Q633 PolarHBondContact OG1-N 2.85Å; T631-G634 PolarHBondContact N-O 2.93Å; T631-G634 PolarHBondContact O-N 2.91Å; T631-G634 PolarHBondContact OG1-N 2.94Å; T631-G634 VanDerWaalsContact OG1-N 3.12Å; T631-G634 PolarHBondContact OG1-O 2.99Å |
| 632 | E | 77.4 | Confident | 88 | Confident | 164 Ų | 164 | 67.3 Ų | 67.3 | 77% | 0.766 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -24.9 | 174.6 | -64.9 | -173.7 | 158.6 | 0 | 0 | 112.4 | ||
| 633 | Q | 83.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.2 | -177.5 | -55.1 | 81.4 | 7.6 | 0 | 0 | 113.4 | F595 E597 C598 T631 | F595-Q633 HydrophobicContact CE1-CB 4.43Å; F595-Q633 HydrophobicContact CZ-CB 3.96Å; F595-Q633 WeakPolarHBondContact CZ-O 3.49Å; E597-Q633 WeakPolarHBondContact CA-O 3.17Å; C598-Q633 CarbonylContact C-O 3.59Å; C598-Q633 PolarHBondContact N-O 3Å; C598-Q633 CarbonylContact O-C 3.55Å; C598-Q633 VanDerWaalsContact O-C 3.29Å; T631-Q633 PolarHBondContact O-N 3.12Å; T631-Q633 PolarHBondContact OG1-N 2.85Å |
| 634 | G | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -155 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L596 T631 | L596-G634 CarbonylContact O-C 3.56Å; L596-G634 WeakPolarHBondContact O-CA 3.43Å; T631-G634 PolarHBondContact N-O 2.93Å; T631-G634 PolarHBondContact O-N 2.91Å; T631-G634 PolarHBondContact OG1-N 2.94Å; T631-G634 VanDerWaalsContact OG1-N 3.12Å; T631-G634 PolarHBondContact OG1-O 2.99Å |
| 635 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.2 | -179.4 | -177.3 | 72.1 | 0 | 0 | 0 | 110.7 | F595 L596 W609 I622 R630 L637 Y648 | F595-L635 WeakPolarHBondContact CA-O 3.29Å; L596-L635 HydrophobicContact CB-CB 4.33Å; L596-L635 HydrophobicContact CD1-CD2 4.19Å; L596-L635 PolarHBondContact N-O 3.07Å; L596-L635 PolarHBondContact O-N 3.39Å; W609-L635 HydrophobicContact CD2-CB 4.21Å; W609-L635 HydrophobicContact CD2-CD2 4.49Å; W609-L635 HydrophobicContact CG-CB 4.47Å; W609-L635 HydrophobicContact CZ2-CB 4.08Å; I622-L635 HydrophobicContact CD1-CD2 3.45Å; I622-L635 VanDerWaalsContact CD1-CD2 3.45Å; I622-L635 HydrophobicContact CG2-CD1 4.4Å; I622-L635 HydrophobicContact CG2-CD2 4.45Å; R630-L635 HydrophobicContact CG-CD1 3.98Å; L635-L637 HydrophobicContact CD2-CD1 4.18Å; L635-L637 HydrophobicContact CG-CD1 4.24Å; L635-Y648 HydrophobicContact CD2-CD1 3.95Å; L635-Y648 HydrophobicContact CD2-CE1 4.03Å |
| 636 | L | 93.3 | Very high | 89.4 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.9 | 175.6 | 179.8 | 65.8 | 0 | 0 | 0 | 110.8 | F595 M628 I629 R638 | F595-L636 HydrophobicContact CB-CD1 4.23Å; F595-L636 HydrophobicContact CD2-CB 3.95Å; F595-L636 HydrophobicContact CD2-CD1 4.28Å; F595-L636 HydrophobicContact CE2-CB 4.49Å; M628-L636 CarbonylContact C-O 3.54Å; M628-L636 WeakPolarHBondContact CA-O 3.25Å; I629-L636 HydrophobicContact CB-CB 4.38Å; I629-L636 PolarHBondContact N-O 2.92Å; I629-L636 PolarHBondContact O-N 3.29Å; L636-R638 HydrophobicContact CD2-CG 4.19Å; L636-R638 HydrophobicContact CG-CG 4.32Å |
| 637 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 107.4 | 167.5 | -62.5 | 89.6 | 0 | 0 | 0 | 107.9 | S593 T594 L596 M628 L635 L640 D644 L666 | S593-L637 CarbonylContact C-O 3.58Å; S593-L637 WeakPolarHBondContact CA-O 3.01Å; S593-L637 WeakPolarHBondContact CB-O 3.27Å; T594-L637 HydrophobicContact CG2-CD1 4.42Å; T594-L637 PolarHBondContact N-O 2.93Å; T594-L637 PolarHBondContact O-N 2.83Å; L596-L637 HydrophobicContact CD1-CD1 3.94Å; L596-L637 HydrophobicContact CD2-CD1 4.42Å; L596-L637 HydrophobicContact CG-CD1 3.8Å; M628-L637 HydrophobicContact CE-CD2 3.64Å; M628-L637 HydrophobicContact CE-CG 4.32Å; M628-L637 HydrophobicContact CG-CG 4.35Å; L635-L637 HydrophobicContact CD2-CD1 4.18Å; L635-L637 HydrophobicContact CG-CD1 4.24Å; L637-L640 HydrophobicContact CB-CD2 3.98Å; L637-L640 HydrophobicContact CD2-CD2 3.82Å; L637-L640 HydrophobicContact CG-CD2 4.47Å; L637-D644 HydrophobicContact CD2-CB 4.18Å; L637-L666 HydrophobicContact CD2-CD2 4.13Å |
| 638 | R | 92.6 | Very high | 90.1 | Very high | 135 Ų | 135 | 52.7 Ų | 52.7 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.7 | -29.4 | -176.4 | -74 | 176.2 | 164.3 | 177.7 | -3.2 | 113.7 | S593 D626 R627 L636 | S593-R638 WeakPolarHBondContact CB-O 3.35Å; D626-R638 VanDerWaalsContact O-CD 3.23Å; D626-R638 WeakPolarHBondContact O-CD 3.2Å; D626-R638 PolarHBondContact O-NH1 2.89Å; R627-R638 WeakPolarHBondContact O-CB 3.45Å; R627-R638 PolarHBondContact O-N 2.85Å; L636-R638 HydrophobicContact CD2-CG 4.19Å; L636-R638 HydrophobicContact CG-CG 4.32Å |
| 639 | S | 91.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -146.2 | 112.5 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | S592 R627 | S592-S639 CarbonylContact O-C 3.56Å; S592-S639 WeakPolarHBondContact O-CA 3.4Å; R627-S639 WeakPolarHBondContact CD-O 3.06Å; R627-S639 WeakPolarHBondContact CG-O 3.36Å; R627-S639 PolarHBondContact NH1-O 3.38Å |
| 640 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -77.1 | 140.2 | 178.6 | -72.4 | 176.8 | 0 | 0 | 0 | 111.5 | G588 N591 S592 L637 L666 V668 | G588-L640 VanDerWaalsContact CA-CD1 3.45Å; N591-L640 PolarHBondContact N-O 2.91Å; S592-L640 PolarHBondContact O-N 3.17Å; L637-L640 HydrophobicContact CB-CD2 3.98Å; L637-L640 HydrophobicContact CD2-CD2 3.82Å; L637-L640 HydrophobicContact CG-CD2 4.47Å; L640-L666 HydrophobicContact CD2-CD2 3.89Å; L640-V668 HydrophobicContact CB-CG1 4.29Å; L640-V668 HydrophobicContact CD2-CG2 4.38Å | ||
| 641 | Q | 91.4 | Very high | 90.6 | Very high | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | trans | -131.8 | 153.9 | 174.5 | -58.1 | -170.9 | -5.5 | 0 | 0 | 108.9 | R643 D644 | Q641-R643 HydrophobicContact CB-CG 4.06Å; Q641-R643 PolarHBondContact O-N 2.91Å; Q641-R643 VanDerWaalsContact OE1-NE 3.1Å; Q641-D644 PolarHBondContact N-OD2 3.03Å; Q641-D644 WeakPolarHBondContact O-CB 3.42Å; Q641-D644 PolarHBondContact O-N 2.82Å | ||
| 642 | R | 88.6 | Confident | 90.9 | Very high | 142 Ų | 142 | 45.3 Ų | 45.3 | 54% | 0.536 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -49.2 | -34.8 | 178.3 | -78.5 | 177.5 | 149.4 | 172.4 | -4.8 | 114.6 | D644 S645 D670 | R642-D644 PolarHBondContact O-N 3.21Å; R642-S645 WeakPolarHBondContact O-CB 3.33Å; R642-S645 PolarHBondContact O-N 2.82Å; R642-D670 IonicContact CZ-OD2 2.83Å; R642-D670 IonicContact NE-OD2 3.55Å; R642-D670 PolarHBondContact NE-OD2 2.87Å; R642-D670 IonicContact NH1-OD2 2.87Å; R642-D670 PolarHBondContact NH1-OD2 2.93Å; R642-D670 IonicContact NH2-OD2 2.86Å; R642-D670 PolarHBondContact NH2-OD2 3.18Å |
| 643 | R | 88.7 | Confident | 91.4 | Very high | 160 Ų | 160 | 39.5 Ų | 39.5 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -68 | -15.2 | 179 | 66.4 | 171.6 | 178.4 | -123.6 | 6.7 | 114.9 | Q641 S645 | Q641-R643 HydrophobicContact CB-CG 4.06Å; Q641-R643 PolarHBondContact O-N 2.91Å; Q641-R643 VanDerWaalsContact OE1-NE 3.1Å; R643-S645 VanDerWaalsContact C-N 3.26Å |
| 644 | D | 91 | Very high | 91.6 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -82.6 | -8.2 | 177.7 | -54.8 | -46.3 | 0 | 0 | 0 | 112.1 | F611 R627 M628 L637 Q641 R642 G646 Y648 L666 V668 | F611-D644 WeakPolarHBondContact CE2-O 3.45Å; R627-D644 IonicContact CZ-OD1 3.37Å; R627-D644 IonicContact CZ-OD2 3.66Å; R627-D644 IonicContact NH1-OD1 3.52Å; R627-D644 PolarHBondContact NH1-OD1 3.34Å; R627-D644 IonicContact NH1-OD2 2.71Å; R627-D644 PolarHBondContact NH1-OD2 2.85Å; R627-D644 IonicContact NH2-OD1 3.29Å; R627-D644 PolarHBondContact NH2-OD1 3.23Å; R627-D644 IonicContact NH2-OD2 2.92Å; M628-D644 WeakPolarHBondContact CE-OD1 3.27Å; L637-D644 HydrophobicContact CD2-CB 4.18Å; Q641-D644 PolarHBondContact N-OD2 3.03Å; Q641-D644 WeakPolarHBondContact O-CB 3.42Å; Q641-D644 PolarHBondContact O-N 2.82Å; R642-D644 PolarHBondContact O-N 3.21Å; D644-G646 PolarHBondContact O-N 3.09Å; D644-Y648 VanDerWaalsContact O-CE2 3.27Å; D644-Y648 WeakPolarHBondContact O-CE2 3.24Å; D644-Y648 PolarHBondContact O-OH 2.79Å; D644-L666 HydrophobicContact CB-CD2 4.45Å; D644-V668 HydrophobicContact CB-CG2 4.4Å |
| 645 | S | 93 | Very high | 91.3 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | trans | -63.5 | 130 | 174.2 | -166.8 | 0 | 0 | 0 | 0 | 110.6 | R642 R643 L666 | R642-S645 WeakPolarHBondContact O-CB 3.33Å; R642-S645 PolarHBondContact O-N 2.82Å; R643-S645 VanDerWaalsContact C-N 3.26Å; S645-L666 VanDerWaalsContact CA-O 3.3Å; S645-L666 WeakPolarHBondContact CA-O 3.47Å; S645-L666 PolarHBondContact OG-O 3.12Å | ||
| 646 | G | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -163.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q612 D644 L666 | Q612-G646 CarbonylContact O-C 3.54Å; Q612-G646 WeakPolarHBondContact O-CA 3.41Å; D644-G646 PolarHBondContact O-N 3.09Å; G646-L666 PolarHBondContact N-O 3.27Å; G646-L666 PolarHBondContact O-N 2.98Å |
| 647 | I | 94.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 20% | 0.195 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.5 | -174.6 | -53.9 | 172.4 | 0 | 0 | 0 | 109.5 | F611 Q612 F649 K663 V664 | F611-I647 CarbonylContact C-O 3.41Å; Q612-I647 HydrophobicContact CB-CB 4.33Å; Q612-I647 PolarHBondContact N-O 2.73Å; Q612-I647 PolarHBondContact O-N 3.4Å; I647-F649 HydrophobicContact CB-CE2 4.15Å; I647-F649 HydrophobicContact CG2-CD2 4.15Å; I647-F649 HydrophobicContact CG2-CE1 4.27Å; I647-F649 HydrophobicContact CG2-CE2 3.55Å; I647-F649 HydrophobicContact CG2-CZ 3.62Å; I647-K663 HydrophobicContact CG2-CD 4.1Å; I647-K663 HydrophobicContact CG2-CG 3.5Å; I647-K663 VanDerWaalsContact CG2-CG 3.5Å; I647-V664 CarbonylContact C-O 3.54Å; I647-V664 WeakPolarHBondContact CA-O 3.35Å |
| 648 | Y | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.4 | 174.9 | -66.4 | -104.9 | 0 | 0 | 0 | 109.2 | L596 Q610 F611 I622 L635 D644 K663 V664 L666 | L596-Y648 HydrophobicContact CD1-CD1 3.56Å; L596-Y648 HydrophobicContact CD1-CD2 3.9Å; L596-Y648 HydrophobicContact CD1-CE1 4.07Å; L596-Y648 HydrophobicContact CD1-CE2 4.39Å; L596-Y648 HydrophobicContact CD1-CG 3.49Å; L596-Y648 VanDerWaalsContact CD1-CG 3.49Å; Q610-Y648 CarbonylContact O-C 3.52Å; Q610-Y648 WeakPolarHBondContact O-CA 3.08Å; F611-Y648 HydrophobicContact CB-CD1 4.44Å; F611-Y648 HydrophobicContact CB-CE1 4.34Å; F611-Y648 HydrophobicContact CD2-CD1 4.08Å; F611-Y648 AromaticContact CD2-CD2 3.91Å; F611-Y648 HydrophobicContact CD2-CD2 3.91Å; F611-Y648 AromaticContact CD2-CE1 3.72Å; F611-Y648 HydrophobicContact CD2-CE1 3.72Å; F611-Y648 AromaticContact CD2-CE2 3.51Å; F611-Y648 HydrophobicContact CD2-CE2 3.51Å; F611-Y648 HydrophobicContact CD2-CG 4.15Å; F611-Y648 AromaticContact CD2-CZ 3.4Å; F611-Y648 HydrophobicContact CE2-CD2 4.24Å; F611-Y648 HydrophobicContact CE2-CE1 4.37Å; F611-Y648 AromaticContact CE2-CE2 3.52Å; F611-Y648 HydrophobicContact CE2-CE2 3.52Å; F611-Y648 AromaticContact CE2-CZ 3.6Å; F611-Y648 HydrophobicContact CG-CE1 4.26Å; I622-Y648 HydrophobicContact CD1-CD1 3.57Å; I622-Y648 HydrophobicContact CD1-CE1 3.79Å; L635-Y648 HydrophobicContact CD2-CD1 3.95Å; L635-Y648 HydrophobicContact CD2-CE1 4.03Å; D644-Y648 VanDerWaalsContact O-CE2 3.27Å; D644-Y648 WeakPolarHBondContact O-CE2 3.24Å; D644-Y648 PolarHBondContact O-OH 2.79Å; Y648-K663 CarbonylContact O-C 3.57Å; Y648-K663 WeakPolarHBondContact O-CA 3.49Å; Y648-V664 PolarHBondContact N-O 3Å; Y648-V664 PolarHBondContact O-N 3.44Å; Y648-L666 HydrophobicContact CD2-CB 3.96Å; Y648-L666 HydrophobicContact CE2-CB 3.72Å; Y648-L666 HydrophobicContact CE2-CD2 3.74Å; Y648-L666 HydrophobicContact CE2-CG 4.37Å |
| 649 | F | 93.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.4 | 175.1 | -64.1 | -90.6 | 0 | 0 | 0 | 109.3 | W609 Q610 Q612 K619 I647 Y651 T660 K663 | W609-F649 WeakPolarHBondContact CA-O 3.35Å; Q610-F649 HydrophobicContact CB-CB 4.42Å; Q610-F649 PolarHBondContact N-O 2.93Å; Q610-F649 PolarHBondContact O-N 2.83Å; Q612-F649 HydrophobicContact CB-CE2 3.97Å; K619-F649 HydrophobicContact CD-CD2 4.21Å; K619-F649 HydrophobicContact CD-CE2 4.16Å; K619-F649 HydrophobicContact CG-CE2 4.5Å; I647-F649 HydrophobicContact CB-CE2 4.15Å; I647-F649 HydrophobicContact CG2-CD2 4.15Å; I647-F649 HydrophobicContact CG2-CE1 4.27Å; I647-F649 HydrophobicContact CG2-CE2 3.55Å; I647-F649 HydrophobicContact CG2-CZ 3.62Å; F649-Y651 HydrophobicContact CB-CD2 4.21Å; F649-Y651 HydrophobicContact CB-CE2 3.39Å; F649-Y651 HydrophobicContact CG-CE2 4.41Å; F649-T660 HydrophobicContact CD1-CG2 4.26Å; F649-K663 HydrophobicContact CD1-CB 4.39Å; F649-K663 HydrophobicContact CD1-CG 4.28Å; F649-K663 HydrophobicContact CE1-CB 4.41Å; F649-K663 HydrophobicContact CE1-CD 3.93Å; F649-K663 HydrophobicContact CE1-CG 3.93Å; F649-K663 HydrophobicContact CZ-CD 4.39Å; F649-K663 HydrophobicContact CZ-CG 4.42Å |
| 650 | C | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.3 | 169.8 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | C598 V607 W609 L661 L662 | C598-C650 HydrophobicContact CB-CB 3.68Å; C598-C650 WeakPolarHBondContact CB-SG 3.37Å; C598-C650 WeakPolarHBondContact SG-CB 3.29Å; C598-C650 CovalentContact SG-SG 2.01Å; C598-C650 PolarHBondContact SG-SG 2.64Å; V607-C650 VanDerWaalsContact CG1-SG 3.55Å; W609-C650 HydrophobicContact CD2-CB 4.16Å; W609-C650 HydrophobicContact CE3-CB 3.93Å; W609-C650 HydrophobicContact CH2-CB 3.72Å; W609-C650 HydrophobicContact CZ2-CB 3.94Å; W609-C650 HydrophobicContact CZ3-CB 3.7Å; C650-L661 PolarHBondContact O-N 3.49Å; C650-L662 HydrophobicContact CB-CB 4.05Å; C650-L662 PolarHBondContact N-O 3.48Å; C650-L662 PolarHBondContact O-N 3.02Å |
| 651 | Y | 90.1 | Very high | 89.3 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.2 | 177.1 | -62.1 | -88.3 | 0 | 0 | 0 | 110.7 | V607 Y608 Q610 K619 F649 M658 Q659 T660 | V607-Y651 CarbonylContact C-O 3.56Å; V607-Y651 WeakPolarHBondContact CA-O 3.43Å; Y608-Y651 AromaticContact CD1-CD2 3.91Å; Y608-Y651 HydrophobicContact CD1-CD2 3.91Å; Y608-Y651 HydrophobicContact CD1-CG 4.34Å; Y608-Y651 PolarHBondContact N-O 3.44Å; Y608-Y651 PolarHBondContact O-N 2.87Å; Q610-Y651 HydrophobicContact CB-CE2 4.05Å; Q610-Y651 HydrophobicContact CG-CD2 4.29Å; Q610-Y651 HydrophobicContact CG-CE2 3.79Å; Q610-Y651 VanDerWaalsContact OE1-CE2 3.27Å; Q610-Y651 PolarHBondContact OE1-OH 3.15Å; K619-Y651 PolarHBondContact NZ-OH 2.98Å; F649-Y651 HydrophobicContact CB-CD2 4.21Å; F649-Y651 HydrophobicContact CB-CE2 3.39Å; F649-Y651 HydrophobicContact CG-CE2 4.41Å; Y651-M658 HydrophobicContact CD1-CE 4.44Å; Y651-M658 HydrophobicContact CD1-CG 3.86Å; Y651-M658 HydrophobicContact CD1-SD 4.15Å; Y651-M658 HydrophobicContact CG-CG 4.14Å; Y651-M658 HydrophobicContact CG-SD 4.17Å; Y651-Q659 CarbonylContact C-O 3.29Å; Y651-Q659 WeakPolarHBondContact CA-O 3.3Å; Y651-T660 HydrophobicContact CD1-CG2 4.26Å; Y651-T660 HydrophobicContact CE1-CG2 3.92Å; Y651-T660 WeakPolarHBondContact CE1-OG1 3.48Å |
| 652 | A | 89.5 | Confident | 89.3 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | P600 A605 M658 Q659 L661 | P600-A652 HydrophobicContact CB-CB 4.23Å; A605-A652 HydrophobicContact CB-CB 4.16Å; A652-M658 WeakPolarHBondContact O-CA 3.42Å; A652-Q659 PolarHBondContact N-O 2.86Å; A652-Q659 PolarHBondContact O-N 3.25Å; A652-L661 HydrophobicContact CB-CD1 3.76Å; A652-L661 HydrophobicContact CB-CD2 4.01Å; A652-L661 HydrophobicContact CB-CG 3.83Å |
| 653 | V | 88.4 | Confident | 89.6 | Confident | 43 Ų | 43 | 34.8 Ų | 34.8 | 26% | 0.261 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.2 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | A605 V606 F657 M658 | A605-V653 WeakPolarHBondContact CA-O 3.42Å; V606-V653 PolarHBondContact N-O 2.98Å; V606-V653 PolarHBondContact O-N 3.45Å; V653-F657 CarbonylContact C-O 3.54Å; V653-F657 VanDerWaalsContact CA-O 3.26Å; V653-F657 WeakPolarHBondContact CA-O 3.34Å; V653-M658 HydrophobicContact CG2-CB 4.2Å; V653-M658 HydrophobicContact CG2-CG 3.91Å; V653-M658 HydrophobicContact CG2-SD 4.32Å |
| 654 | E | 88.2 | Confident | 89.9 | Confident | 12 Ų | 12 | 27.2 Ų | 27.2 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 129.8 | -179.6 | -173.2 | 172 | -156.3 | 0 | 0 | 110.2 | R31 L529 S602 A605 G656 F657 | R31-E654 IonicContact CZ-OE1 2.72Å; R31-E654 IonicContact CZ-OE2 2.93Å; R31-E654 VanDerWaalsContact CZ-OE2 3.24Å; R31-E654 IonicContact NH1-OE1 3.47Å; R31-E654 PolarHBondContact NH1-OE1 2.95Å; R31-E654 IonicContact NH1-OE2 3.76Å; R31-E654 PolarHBondContact NH1-OE2 3.17Å; R31-E654 VanDerWaalsContact NH1-OE2 3.08Å; R31-E654 IonicContact NH2-OE1 3.64Å; R31-E654 IonicContact NH2-OE2 3.55Å; R31-E654 PolarHBondContact NH2-OE2 2.92Å; L529-E654 HydrophobicContact CD2-CG 4.39Å; S602-E654 VanDerWaalsContact OG-CD 3.31Å; S602-E654 PolarHBondContact OG-OE1 3.37Å; S602-E654 PolarHBondContact OG-OE2 3.23Å; A605-E654 HydrophobicContact CB-CB 4.25Å; E654-G656 PolarHBondContact O-N 3.03Å; E654-F657 PolarHBondContact N-O 2.82Å; E654-F657 WeakPolarHBondContact O-CB 3.45Å; E654-F657 PolarHBondContact O-N 3.21Å |
| 655 | H | 82.4 | Confident | 90.1 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.306 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 34.7 | -176.6 | -69.5 | -169.4 | 0 | 0 | 0 | 114.1 | L529 F657 | L529-H655 HydrophobicContact CD2-CB 4.06Å; H655-F657 PolarHBondContact O-N 3.48Å |
| 656 | G | 82.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 27 Ų | 27 | 56% | 0.557 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -7.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E654 | E654-G656 PolarHBondContact O-N 3.03Š|
| 657 | F | 85.8 | Confident | 90.2 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 138 | 170.7 | -175.7 | -105.4 | 0 | 0 | 0 | 110.9 | A525 L529 P563 L564 V653 E654 H655 Q659 | A525-F657 HydrophobicContact CB-CD1 4.24Å; A525-F657 HydrophobicContact CB-CE1 3.41Å; A525-F657 VanDerWaalsContact CB-CE1 3.41Å; A525-F657 HydrophobicContact CB-CE2 4.16Å; A525-F657 HydrophobicContact CB-CZ 3.37Å; L529-F657 HydrophobicContact CD1-CD1 3.87Å; P563-F657 HydrophobicContact CB-CD2 4.08Å; P563-F657 HydrophobicContact CB-CE2 4.23Å; P563-F657 HydrophobicContact CB-CG 4.31Å; P563-F657 HydrophobicContact CG-CB 3.54Å; P563-F657 HydrophobicContact CG-CD1 4Å; P563-F657 HydrophobicContact CG-CD2 3.4Å; P563-F657 HydrophobicContact CG-CE2 4.04Å; P563-F657 HydrophobicContact CG-CG 3.36Å; L564-F657 HydrophobicContact CD2-CD2 3.82Å; L564-F657 HydrophobicContact CD2-CE2 4.18Å; L564-F657 HydrophobicContact CG-CD2 4.15Å; V653-F657 CarbonylContact C-O 3.54Å; V653-F657 VanDerWaalsContact CA-O 3.26Å; V653-F657 WeakPolarHBondContact CA-O 3.34Å; E654-F657 PolarHBondContact N-O 2.82Å; E654-F657 WeakPolarHBondContact O-CB 3.45Å; E654-F657 PolarHBondContact O-N 3.21Å; H655-F657 PolarHBondContact O-N 3.48Å; F657-Q659 HydrophobicContact CD1-CB 4.36Å; F657-Q659 HydrophobicContact CE1-CB 3.81Å; F657-Q659 HydrophobicContact CE1-CG 4.44Å |
| 658 | M | 86.8 | Confident | 90.1 | Very high | 97 Ų | 97 | 29.3 Ų | 29.3 | 48% | 0.478 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.9 | 178.7 | -175.5 | 172.3 | 70.2 | 0 | 0 | 110.2 | Y608 Y651 A652 V653 | Y608-M658 HydrophobicContact CD1-SD 4.3Å; Y651-M658 HydrophobicContact CD1-CE 4.44Å; Y651-M658 HydrophobicContact CD1-CG 3.86Å; Y651-M658 HydrophobicContact CD1-SD 4.15Å; Y651-M658 HydrophobicContact CG-CG 4.14Å; Y651-M658 HydrophobicContact CG-SD 4.17Å; A652-M658 WeakPolarHBondContact O-CA 3.42Å; V653-M658 HydrophobicContact CG2-CB 4.2Å; V653-M658 HydrophobicContact CG2-CG 3.91Å; V653-M658 HydrophobicContact CG2-SD 4.32Å |
| 659 | Q | 86.1 | Confident | 89.9 | Confident | 29 Ų | 29 | 31.6 Ų | 31.6 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.6 | 179.6 | -172.8 | 178.9 | -7.9 | 0 | 0 | 110.5 | E526 Y651 A652 F657 | E526-Q659 PolarHBondContact OE1-NE2 3.25Å; E526-Q659 VanDerWaalsContact OE1-NE2 3.1Å; Y651-Q659 CarbonylContact C-O 3.29Å; Y651-Q659 WeakPolarHBondContact CA-O 3.3Å; A652-Q659 PolarHBondContact N-O 2.86Å; A652-Q659 PolarHBondContact O-N 3.25Å; F657-Q659 HydrophobicContact CD1-CB 4.36Å; F657-Q659 HydrophobicContact CE1-CB 3.81Å; F657-Q659 HydrophobicContact CE1-CG 4.44Å |
| 660 | T | 88.5 | Confident | 89.5 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 28% | 0.282 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.6 | 171.3 | -37.5 | 0 | 0 | 0 | 0 | 109.5 | L581 F649 Y651 | L581-T660 HydrophobicContact CD1-CG2 3.61Å; F649-T660 HydrophobicContact CD1-CG2 4.26Å; Y651-T660 HydrophobicContact CD1-CG2 4.26Å; Y651-T660 HydrophobicContact CE1-CG2 3.92Å; Y651-T660 WeakPolarHBondContact CE1-OG1 3.48Å |
| 661 | L | 87.7 | Confident | 88.6 | Confident | 42 Ų | 42 | 34 Ų | 34 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -48.1 | 177.7 | -66.1 | -174.6 | 0 | 0 | 0 | 112.4 | P600 C650 A652 | P600-L661 HydrophobicContact CB-CD1 3.93Å; C650-L661 PolarHBondContact O-N 3.49Å; A652-L661 HydrophobicContact CB-CD1 3.76Å; A652-L661 HydrophobicContact CB-CD2 4.01Å; A652-L661 HydrophobicContact CB-CG 3.83Å |
| 662 | L | 90.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 139.5 | -168 | 179.5 | 73.6 | 0 | 0 | 0 | 109.7 | E582 K584 E597 C598 C650 V664 | E582-L662 HydrophobicContact CB-CD1 3.8Å; E582-L662 HydrophobicContact CG-CD1 3.75Å; E582-L662 WeakPolarHBondContact O-CD1 3.42Å; K584-L662 HydrophobicContact CB-CD1 4.44Å; K584-L662 HydrophobicContact CD-CD1 3.97Å; K584-L662 HydrophobicContact CG-CD1 4.04Å; E597-L662 WeakPolarHBondContact O-CD2 3.28Å; C598-L662 HydrophobicContact CB-CD2 4.3Å; C650-L662 HydrophobicContact CB-CB 4.05Å; C650-L662 PolarHBondContact N-O 3.48Å; C650-L662 PolarHBondContact O-N 3.02Å; L662-V664 HydrophobicContact CD1-CG2 4.39Å; L662-V664 HydrophobicContact CD2-CG2 3.37Å; L662-V664 HydrophobicContact CG-CG2 3.6Å |
| 663 | K | 94.1 | Very high | 86.7 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.9 | 168.1 | 178.1 | -176.6 | 160 | -158.4 | 0 | 108.6 | L581 E582 E583 K584 I647 Y648 F649 | L581-K663 HydrophobicContact CD2-CB 3.87Å; L581-K663 HydrophobicContact CD2-CD 4.21Å; L581-K663 HydrophobicContact CG-CB 4.33Å; E582-K663 PolarHBondContact O-N 3.31Å; E583-K663 CarbonylContact C-O 3.59Å; E583-K663 VanDerWaalsContact CA-O 3.31Å; E583-K663 WeakPolarHBondContact CA-O 3.25Å; E583-K663 HydrophobicContact CG-CB 4.35Å; E583-K663 HydrophobicContact CG-CD 4.24Å; E583-K663 WeakPolarHBondContact OE1-CD 3.08Å; E583-K663 IonicContact OE1-NZ 3.85Å; E583-K663 PolarHBondContact OE1-NZ 3.39Å; E583-K663 IonicContact OE2-NZ 2.63Å; K584-K663 PolarHBondContact N-O 3.09Å; I647-K663 HydrophobicContact CG2-CD 4.1Å; I647-K663 HydrophobicContact CG2-CG 3.5Å; I647-K663 VanDerWaalsContact CG2-CG 3.5Å; Y648-K663 CarbonylContact O-C 3.57Å; Y648-K663 WeakPolarHBondContact O-CA 3.49Å; F649-K663 HydrophobicContact CD1-CB 4.39Å; F649-K663 HydrophobicContact CD1-CG 4.28Å; F649-K663 HydrophobicContact CE1-CB 4.41Å; F649-K663 HydrophobicContact CE1-CD 3.93Å; F649-K663 HydrophobicContact CE1-CG 3.93Å; F649-K663 HydrophobicContact CZ-CD 4.39Å; F649-K663 HydrophobicContact CZ-CG 4.42Å |
| 664 | V | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.8 | -179.5 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | K584 I586 L596 W609 I647 Y648 L662 | K584-V664 CarbonylContact O-C 3.5Å; K584-V664 VanDerWaalsContact O-CA 3.3Å; K584-V664 WeakPolarHBondContact O-CA 3.39Å; I586-V664 HydrophobicContact CB-CG1 4.26Å; I586-V664 HydrophobicContact CD1-CG1 3.69Å; I586-V664 HydrophobicContact CG1-CG1 3.82Å; L596-V664 HydrophobicContact CD2-CG1 4.11Å; W609-V664 HydrophobicContact CH2-CG2 4.5Å; I647-V664 CarbonylContact C-O 3.54Å; I647-V664 WeakPolarHBondContact CA-O 3.35Å; Y648-V664 PolarHBondContact N-O 3Å; Y648-V664 PolarHBondContact O-N 3.44Å; L662-V664 HydrophobicContact CD1-CG2 4.39Å; L662-V664 HydrophobicContact CD2-CG2 3.37Å; L662-V664 HydrophobicContact CG-CG2 3.6Å |
| 665 | T | 95.4 | Very high | 84.3 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 17% | 0.172 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 111.1 | 167.6 | -54.5 | 0 | 0 | 0 | 0 | 107.9 | K584 I585 I586 E667 | K584-T665 PolarHBondContact O-N 3.21Å; I585-T665 CarbonylContact C-O 3.59Å; I585-T665 WeakPolarHBondContact CA-O 3.44Å; I586-T665 PolarHBondContact N-O 2.63Å; T665-E667 HydrophobicContact CG2-CG 4.38Å |
| 666 | L | 94.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.6 | 175.1 | 178.3 | 62.2 | 0 | 0 | 0 | 108.8 | I586 T594 L637 L640 D644 S645 G646 Y648 V668 | I586-L666 HydrophobicContact CB-CD1 4.29Å; I586-L666 HydrophobicContact CG2-CD1 4.06Å; I586-L666 WeakPolarHBondContact O-CA 2.97Å; T594-L666 HydrophobicContact CG2-CD1 4.09Å; L637-L666 HydrophobicContact CD2-CD2 4.13Å; L640-L666 HydrophobicContact CD2-CD2 3.89Å; D644-L666 HydrophobicContact CB-CD2 4.45Å; S645-L666 VanDerWaalsContact CA-O 3.3Å; S645-L666 WeakPolarHBondContact CA-O 3.47Å; S645-L666 PolarHBondContact OG-O 3.12Å; G646-L666 PolarHBondContact N-O 3.27Å; G646-L666 PolarHBondContact O-N 2.98Å; Y648-L666 HydrophobicContact CD2-CB 3.96Å; Y648-L666 HydrophobicContact CE2-CB 3.72Å; Y648-L666 HydrophobicContact CE2-CD2 3.74Å; Y648-L666 HydrophobicContact CE2-CG 4.37Å; L666-V668 HydrophobicContact CD2-CG2 4.46Å; L666-V668 HydrophobicContact CG-CG2 4.26Å |
| 667 | E | 93.9 | Very high | 82.6 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.1 | 172.9 | -66 | -170.2 | -178.5 | 0 | 0 | 109.5 | I586 Y587 G588 T665 | I586-E667 PolarHBondContact O-N 2.83Å; Y587-E667 WeakPolarHBondContact CA-O 3.29Å; Y587-E667 HydrophobicContact CD1-CB 3.89Å; Y587-E667 HydrophobicContact CE1-CB 4Å; Y587-E667 HydrophobicContact CE1-CG 4.41Å; Y587-E667 WeakPolarHBondContact CE1-OE2 3.26Å; G588-E667 PolarHBondContact N-O 2.93Å; T665-E667 HydrophobicContact CG2-CG 4.38Å |
| 668 | V | 92.9 | Very high | 81.4 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.9 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | G588 E590 L640 D644 L666 | G588-V668 CarbonylContact O-C 3.59Å; G588-V668 WeakPolarHBondContact O-CA 3.25Å; E590-V668 HydrophobicContact CB-CG1 4.26Å; L640-V668 HydrophobicContact CB-CG1 4.29Å; L640-V668 HydrophobicContact CD2-CG2 4.38Å; D644-V668 HydrophobicContact CB-CG2 4.4Å; L666-V668 HydrophobicContact CD2-CG2 4.46Å; L666-V668 HydrophobicContact CG-CG2 4.26Å |
| 669 | I | 88.7 | Confident | 80 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.6 | 176.3 | -53.2 | 174.6 | 0 | 0 | 0 | 108.1 | Y587 G588 V589 E590 L674 | Y587-I669 HydrophobicContact CD1-CD1 4.16Å; Y587-I669 HydrophobicContact CD1-CG1 4.5Å; G588-I669 PolarHBondContact O-N 2.88Å; V589-I669 WeakPolarHBondContact CA-O 3.48Å; E590-I669 PolarHBondContact N-O 3.48Å; I669-L674 HydrophobicContact CG2-CB 4.23Å; I669-L674 HydrophobicContact CG2-CD1 4.34Å |
| 670 | D | 84.5 | Confident | 78.3 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -67.3 | 143.3 | 174.5 | 170.9 | -63.6 | 0 | 0 | 0 | 110.7 | R642 D672 H673 L674 | R642-D670 IonicContact CZ-OD2 2.83Å; R642-D670 IonicContact NE-OD2 3.55Å; R642-D670 PolarHBondContact NE-OD2 2.87Å; R642-D670 IonicContact NH1-OD2 2.87Å; R642-D670 PolarHBondContact NH1-OD2 2.93Å; R642-D670 IonicContact NH2-OD2 2.86Å; R642-D670 PolarHBondContact NH2-OD2 3.18Å; D670-D672 VanDerWaalsContact C-N 3.34Å; D670-D672 PolarHBondContact O-N 3.03Å; D670-D672 WeakPolarHBondContact OD1-CA 3.27Å; D670-D672 VanDerWaalsContact OD1-CB 3.25Å; D670-D672 WeakPolarHBondContact OD1-CB 3.27Å; D670-D672 PolarHBondContact OD1-N 3.3Å; D670-H673 HydrophobicContact CB-CB 4.16Å; D670-H673 PolarHBondContact O-N 3.1Å; D670-H673 PolarHBondContact OD1-N 2.77Å; D670-H673 VanDerWaalsContact OD1-N 3.15Å; D670-L674 PolarHBondContact O-N 2.81Å | ||
| 671 | T | 75.4 | Confident | 76.5 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | -177.8 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | V589 E590 L674 E675 | V589-T671 HydrophobicContact CG1-CG2 4.13Å; E590-T671 HydrophobicContact CB-CG2 4.26Å; T671-L674 WeakPolarHBondContact O-CB 3.13Å; T671-L674 PolarHBondContact O-N 3.14Å; T671-E675 PolarHBondContact O-N 3.47Å |
| 672 | D | 71.1 | Confident | 74.6 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -73.5 | -36.8 | -179.7 | -53.3 | -16.7 | 0 | 0 | 0 | 110.6 | D670 L674 E675 E676 | D670-D672 VanDerWaalsContact C-N 3.34Å; D670-D672 PolarHBondContact O-N 3.03Å; D670-D672 WeakPolarHBondContact OD1-CA 3.27Å; D670-D672 VanDerWaalsContact OD1-CB 3.25Å; D670-D672 WeakPolarHBondContact OD1-CB 3.27Å; D670-D672 PolarHBondContact OD1-N 3.3Å; D672-L674 VanDerWaalsContact C-N 3.32Å; D672-E675 PolarHBondContact O-N 2.91Å; D672-E676 PolarHBondContact O-N 3.15Å; D672-E676 VanDerWaalsContact O-N 3.1Å |
| 673 | H | 67.8 | Low | 72.6 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.3 | -30.2 | 174.1 | -120.9 | 86.2 | 0 | 0 | 0 | 112.5 | D670 E676 L677 | D670-H673 HydrophobicContact CB-CB 4.16Å; D670-H673 PolarHBondContact O-N 3.1Å; D670-H673 PolarHBondContact OD1-N 2.77Å; D670-H673 VanDerWaalsContact OD1-N 3.15Å; H673-E676 PolarHBondContact O-N 2.92Å; H673-L677 WeakPolarHBondContact O-CB 3.44Å; H673-L677 WeakPolarHBondContact O-CG 3.47Å; H673-L677 PolarHBondContact O-N 3.44Å |
| 674 | L | 65.7 | Low | 70 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 173.1 | -171.3 | 69 | 0 | 0 | 0 | 110 | V589 I669 D670 T671 D672 E676 L677 L678 | V589-L674 HydrophobicContact CG1-CD2 3.89Å; V589-L674 HydrophobicContact CG2-CD2 3.95Å; I669-L674 HydrophobicContact CG2-CB 4.23Å; I669-L674 HydrophobicContact CG2-CD1 4.34Å; D670-L674 PolarHBondContact O-N 2.81Å; T671-L674 WeakPolarHBondContact O-CB 3.13Å; T671-L674 PolarHBondContact O-N 3.14Å; D672-L674 VanDerWaalsContact C-N 3.32Å; L674-E676 VanDerWaalsContact C-N 3.29Å; L674-E676 PolarHBondContact O-N 3.36Å; L674-L677 PolarHBondContact O-N 2.87Å; L674-L678 HydrophobicContact CD2-CD1 4.47Å; L674-L678 HydrophobicContact CG-CD1 3.89Å; L674-L678 HydrophobicContact CG-CG 4.35Å; L674-L678 WeakPolarHBondContact O-CB 3.44Å; L674-L678 WeakPolarHBondContact O-CD1 3.18Å; L674-L678 WeakPolarHBondContact O-CG 3.33Å; L674-L678 PolarHBondContact O-N 2.77Å |
| 675 | E | 61.2 | Low | 67.5 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.5 | -41.9 | 173.4 | -69.5 | -169.3 | 169.1 | 0 | 0 | 111.7 | T671 D672 L677 L678 H679 | T671-E675 PolarHBondContact O-N 3.47Å; D672-E675 PolarHBondContact O-N 2.91Å; E675-L677 PolarHBondContact O-N 3.48Å; E675-L678 PolarHBondContact O-N 3.38Å; E675-H679 WeakPolarHBondContact O-CB 3.17Å; E675-H679 PolarHBondContact O-CD2 3.26Å; E675-H679 PolarHBondContact O-N 2.87Å |
| 676 | E | 63.8 | Low | 64.8 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.8 | -144 | -178.6 | -162.6 | 0 | 0 | 113.3 | D672 H673 L674 K680 | D672-E676 PolarHBondContact O-N 3.15Å; D672-E676 VanDerWaalsContact O-N 3.1Å; H673-E676 PolarHBondContact O-N 2.92Å; L674-E676 VanDerWaalsContact C-N 3.29Å; L674-E676 PolarHBondContact O-N 3.36Å; E676-K680 VanDerWaalsContact O-CB 3.29Å; E676-K680 WeakPolarHBondContact O-CB 3.42Å; E676-K680 PolarHBondContact O-N 2.9Å |
| 677 | L | 63.8 | Low | 61.9 | Low | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71 | -31.7 | 173.3 | -78.1 | 166 | 0 | 0 | 0 | 112.7 | H673 L674 E675 | H673-L677 WeakPolarHBondContact O-CB 3.44Å; H673-L677 WeakPolarHBondContact O-CG 3.47Å; H673-L677 PolarHBondContact O-N 3.44Å; L674-L677 PolarHBondContact O-N 2.87Å; E675-L677 PolarHBondContact O-N 3.48Å |
| 678 | L | 60.5 | Low | 59.1 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -76.2 | -31 | 175.8 | -64 | 167.1 | 0 | 0 | 0 | 111.5 | L674 E675 M708 | L674-L678 HydrophobicContact CD2-CD1 4.47Å; L674-L678 HydrophobicContact CG-CD1 3.89Å; L674-L678 HydrophobicContact CG-CG 4.35Å; L674-L678 WeakPolarHBondContact O-CB 3.44Å; L674-L678 WeakPolarHBondContact O-CD1 3.18Å; L674-L678 WeakPolarHBondContact O-CG 3.33Å; L674-L678 PolarHBondContact O-N 2.77Å; E675-L678 PolarHBondContact O-N 3.38Å; L678-M708 HydrophobicContact CD2-CE 3.12Å; L678-M708 HydrophobicContact CD2-SD 3.4Å; L678-M708 WeakPolarHBondContact CD2-SD 3.35Å; L678-M708 HydrophobicContact CG-CE 4.4Å |
| 679 | H | 58.3 | Low | 56.3 | Low | 117 Ų | 117 | 107.3 Ų | 107.3 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -93.4 | -17 | -178.8 | -71.6 | -58 | 0 | 0 | 0 | 114.9 | E675 E681 E682 | E675-H679 WeakPolarHBondContact O-CB 3.17Å; E675-H679 PolarHBondContact O-CD2 3.26Å; E675-H679 PolarHBondContact O-N 2.87Å; H679-E681 PolarHBondContact O-N 2.67Å; H679-E682 PolarHBondContact O-N 2.96Å |
| 680 | K | 51.4 | Low | 53.5 | Low | 152 Ų | 152 | 114.6 Ų | 114.6 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -10 | 178.1 | -110.2 | 175.7 | 178.9 | 161 | 0 | 115.9 | E676 | E676-K680 VanDerWaalsContact O-CB 3.29Å; E676-K680 WeakPolarHBondContact O-CB 3.42Å; E676-K680 PolarHBondContact O-N 2.9Å |
| 681 | E | 50 | Low | 51.1 | Low | 142 Ų | 142 | 121.4 Ų | 121.4 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -10.8 | 174.1 | -72 | -159 | 144.2 | 0 | 0 | 114 | H679 | H679-E681 PolarHBondContact O-N 2.67Š|
| 682 | E | 47.1 | Very low | 48.9 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -24.6 | -178.5 | -76.6 | -165.8 | 148.8 | 0 | 0 | 114.7 | H679 | H679-E682 PolarHBondContact O-N 2.96Š|
| 683 | D | 49.2 | Very low | 47.4 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -122.6 | 102.8 | -179.1 | -95.7 | -29.3 | 0 | 0 | 0 | 112.7 | ||
| 684 | G | 40.4 | Very low | 45.8 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | 165 | 56.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 685 | D | 41.3 | Very low | 44.3 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | -124.2 | 84.7 | 152.6 | -161.9 | 15.5 | 0 | 0 | 0 | 111 | ||||
| 686 | A | 39.3 | Very low | 43 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | trans | -161.6 | 106.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 687 | S | 34.3 | Very low | 42 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 98 | 99.7 | 151.8 | 82.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 688 | K | 35.1 | Very low | 40.9 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | 73.3 | 100 | 130 | -69 | -174.2 | 178 | 178.5 | 0 | 121.5 | ||||
| 689 | T | 33.9 | Very low | 39.9 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | 61.8 | 106.8 | 127.2 | 56.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 690 | K | 30.5 | Very low | 39.2 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | -178.2 | 138.2 | 93.7 | -98 | -178.2 | 177.2 | -179.8 | 0 | 112.2 | |||||
| 691 | D | 32.8 | Very low | 38.8 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -11.4 | 128.5 | 172.7 | -58.4 | -48.1 | 0 | 0 | 0 | 120.9 | ||||
| 692 | A | 29.6 | Very low | 38.5 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | -164.7 | 140.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 693 | T | 38.9 | Very low | 38.1 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -67.1 | 131.6 | -170.5 | 46.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 694 | N | 33.8 | Very low | 38 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | -174 | 126.6 | 126.2 | -102.5 | -16.5 | 0 | 0 | 0 | 112.8 | |||||
| 695 | S | 34.3 | Very low | 38.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 126.5 | -174.3 | 57.4 | 0 | 0 | 0 | 0 | 113 | ||
| 696 | M | 34.5 | Very low | 38.3 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 147.1 | 155.7 | -73.7 | -154.2 | 98.3 | 0 | 0 | 110.7 | Q700 | M696-Q700 VanDerWaalsContact CE-CD 3.42Š|
| 697 | T | 42.2 | Very low | 38.6 | Very low | 82 Ų | 82 | 131 Ų | 131 | 50% | 0.503 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -87 | 157 | -175 | 53 | 0 | 0 | 0 | 0 | 112.9 | S699 | T697-S699 VanDerWaalsContact C-N 3.27Å; T697-S699 PolarHBondContact O-N 2.93Å; T697-S699 VanDerWaalsContact O-N 3.11Å |
| 698 | P | 41.8 | Very low | 39 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -12.9 | -167.5 | -21.2 | 33.8 | 0 | 0 | 0 | 116.5 | ||
| 699 | S | 39.8 | Very low | 39.6 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -24.1 | -175.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | T697 | T697-S699 VanDerWaalsContact C-N 3.27Å; T697-S699 PolarHBondContact O-N 2.93Å; T697-S699 VanDerWaalsContact O-N 3.11Å |
| 700 | Q | 42.2 | Very low | 40.2 | Very low | 102 Ų | 102 | 126 Ų | 126 | 48% | 0.477 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -77.1 | -20.9 | -179.9 | -76.3 | 166.5 | -50.5 | 0 | 0 | 113.1 | M696 I702 | M696-Q700 VanDerWaalsContact CE-CD 3.42Å; Q700-I702 PolarHBondContact O-N 3.44Å |
| 701 | K | 44.3 | Very low | 40.9 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.1 | -23.8 | 179.1 | -71.1 | -167.8 | 173.3 | -163.5 | 0 | 114.3 | ||
| 702 | I | 42.1 | Very low | 41.3 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.9 | -40.4 | -175.8 | -61.4 | 167.5 | 0 | 0 | 0 | 110.7 | Q700 Y704 R705 | Q700-I702 PolarHBondContact O-N 3.44Å; I702-Y704 VanDerWaalsContact C-N 3.33Å; I702-Y704 PolarHBondContact O-N 3.34Å; I702-R705 PolarHBondContact O-N 2.87Å |
| 703 | W | 40 | Very low | 41.9 | Very low | 184 Ų | 184 | 120.2 Ų | 120.2 | 70% | 0.697 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 178.2 | -176.4 | 79.4 | 0 | 0 | 0 | 112.7 | D706 F707 | W703-D706 PolarHBondContact O-N 2.87Å; W703-F707 PolarHBondContact O-N 3.42Å |
| 704 | Y | 46.2 | Very low | 42.3 | Very low | 95 Ų | 95 | 119 Ų | 119 | 37% | 0.373 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.2 | -38.2 | 179.4 | -172 | -107.2 | 0 | 0 | 0 | 113.2 | I702 D706 F707 M708 | I702-Y704 VanDerWaalsContact C-N 3.33Å; I702-Y704 PolarHBondContact O-N 3.34Å; Y704-D706 PolarHBondContact O-N 2.88Å; Y704-F707 PolarHBondContact O-N 2.94Å; Y704-M708 HydrophobicContact CD1-CG 4.36Å; Y704-M708 HydrophobicContact CE1-CG 4.16Å; Y704-M708 VanDerWaalsContact O-CG 3.24Å; Y704-M708 WeakPolarHBondContact O-CG 3.45Å; Y704-M708 PolarHBondContact O-N 3.23Å; Y704-M708 VanDerWaalsContact O-N 3.1Å |
| 705 | R | 42.9 | Very low | 42.7 | Very low | 177 Ų | 177 | 117.7 Ų | 117.7 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.8 | -35.8 | 177.4 | -110.9 | -174.2 | 77 | 169.3 | 7 | 113.3 | I702 | I702-R705 PolarHBondContact O-N 2.87Å |
| 706 | D | 44.9 | Very low | 43.3 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.1 | -30.8 | 178.8 | -72.3 | -16.8 | 0 | 0 | 0 | 111.6 | W703 Y704 | W703-D706 PolarHBondContact O-N 2.87Å; Y704-D706 PolarHBondContact O-N 2.88Å |
| 707 | F | 46 | Very low | 43.9 | Very low | 101 Ų | 101 | 120 Ų | 120 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.6 | -38.1 | 175.1 | -167 | -107.8 | 0 | 0 | 0 | 112.6 | W703 Y704 Q709 L710 I711 | W703-F707 PolarHBondContact O-N 3.42Å; Y704-F707 PolarHBondContact O-N 2.94Å; F707-Q709 VanDerWaalsContact C-N 3.28Å; F707-Q709 PolarHBondContact O-N 3.43Å; F707-L710 WeakPolarHBondContact O-CB 3.47Å; F707-L710 PolarHBondContact O-N 3.25Å; F707-I711 HydrophobicContact CD1-CD1 3.56Å; F707-I711 HydrophobicContact CE1-CD1 3.27Å; F707-I711 HydrophobicContact CE1-CG1 4.44Å; F707-I711 HydrophobicContact CG-CD1 4.45Å; F707-I711 HydrophobicContact CZ-CD1 3.92Å |
| 708 | M | 43.9 | Very low | 44.4 | Very low | 64 Ų | 64 | 119.1 Ų | 119.1 | 32% | 0.315 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.3 | -27 | 178.2 | -76.3 | -78.3 | -77.7 | 0 | 0 | 114 | L678 Y704 L710 | L678-M708 HydrophobicContact CD2-CE 3.12Å; L678-M708 HydrophobicContact CD2-SD 3.4Å; L678-M708 WeakPolarHBondContact CD2-SD 3.35Å; L678-M708 HydrophobicContact CG-CE 4.4Å; Y704-M708 HydrophobicContact CD1-CG 4.36Å; Y704-M708 HydrophobicContact CE1-CG 4.16Å; Y704-M708 VanDerWaalsContact O-CG 3.24Å; Y704-M708 WeakPolarHBondContact O-CG 3.45Å; Y704-M708 PolarHBondContact O-N 3.23Å; Y704-M708 VanDerWaalsContact O-N 3.1Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 3.22Å |
| 709 | Q | 46.2 | Very low | 44.6 | Very low | 129 Ų | 129 | 119 Ų | 119 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.9 | -14.2 | 173.7 | -71.6 | -174.5 | -0.2 | 0 | 0 | 113.6 | F707 | F707-Q709 VanDerWaalsContact C-N 3.28Å; F707-Q709 PolarHBondContact O-N 3.43Å |
| 710 | L | 46.5 | Very low | 45.1 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -92.5 | -15.7 | 178.6 | -70.4 | 164.1 | 0 | 0 | 0 | 113.2 | F707 M708 | F707-L710 WeakPolarHBondContact O-CB 3.47Å; F707-L710 PolarHBondContact O-N 3.25Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 3.22Å |
| 711 | I | 46.7 | Very low | 45.5 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 55% | 0.554 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -97.3 | -23.8 | -171.9 | -67.3 | 175 | 0 | 0 | 0 | 112.7 | F707 | F707-I711 HydrophobicContact CD1-CD1 3.56Å; F707-I711 HydrophobicContact CE1-CD1 3.27Å; F707-I711 HydrophobicContact CE1-CG1 4.44Å; F707-I711 HydrophobicContact CG-CD1 4.45Å; F707-I711 HydrophobicContact CZ-CD1 3.92Å |
| 712 | N | 40.4 | Very low | 45.6 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | trans | -100.7 | 99.8 | -177.7 | -107.7 | -16.4 | 0 | 0 | 0 | 112.9 | ||||
| 713 | H | 42.7 | Very low | 46 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 45% | 0.449 | 58% | 0.577 | S | S | . | * | trans | -130.4 | 125.7 | 159.1 | -72.6 | -38.8 | 0 | 0 | 0 | 110.7 | F722 | H713-F722 AromaticContact CE1-CD2 3.65Å; H713-F722 AromaticContact CE1-CE2 3.3Å; H713-F722 WeakPolarHBondContact CE1-CE2 3.15Å; H713-F722 AromaticContact CE1-CZ 3.72Å; H713-F722 AromaticContact NE2-CD1 3.93Å; H713-F722 AromaticContact NE2-CD2 3.67Å; H713-F722 AromaticContact NE2-CE1 3.54Å; H713-F722 AromaticContact NE2-CE2 3.26Å; H713-F722 VanDerWaalsContact NE2-CE2 3.26Å; H713-F722 WeakPolarHBondContact NE2-CE2 3.37Å; H713-F722 AromaticContact NE2-CG 3.99Å; H713-F722 AromaticContact NE2-CZ 3.18Å; H713-F722 WeakPolarHBondContact NE2-CZ 3.49Å | ||
| 714 | P | 47.6 | Very low | 46.6 | Very low | 104 Ų | 104 | 113.2 Ų | 113.2 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | -88 | 137.4 | 168.5 | 32.6 | -26.9 | 0 | 0 | 0 | 111.5 | ||||
| 715 | N | 41.6 | Very low | 46.9 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 76% | 0.759 | 58% | 0.579 | S | S | * | * | trans | 62.5 | 124.9 | 166.7 | -66.3 | -25 | 0 | 0 | 0 | 119.9 | N717 T718 | N715-N717 PolarHBondContact O-N 3.44Å; N715-T718 PolarHBondContact O-N 2.61Å; N715-T718 PolarHBondContact O-OG1 2.72Å | ||
| 716 | L | 46.3 | Very low | 47.2 | Very low | 155 Ų | 155 | 110 Ų | 110 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -1.9 | -173 | -76.4 | 156 | 0 | 0 | 0 | 117.9 | ||
| 717 | N | 47 | Very low | 47.2 | Very low | 157 Ų | 157 | 114.6 Ų | 114.6 | 84% | 0.84 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 0.5 | 178.1 | -83.2 | -5 | 0 | 0 | 0 | 114.4 | N715 | N715-N717 PolarHBondContact O-N 3.44Š|
| 718 | T | 52.9 | Low | 47.3 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -110.2 | 1.2 | -179 | 52 | 0 | 0 | 0 | 0 | 113.6 | N715 D720 E721 F722 | N715-T718 PolarHBondContact O-N 2.61Å; N715-T718 PolarHBondContact O-OG1 2.72Å; T718-D720 VanDerWaalsContact C-N 3.34Å; T718-D720 PolarHBondContact O-N 2.73Å; T718-E721 PolarHBondContact O-N 2.84Å; T718-F722 WeakPolarHBondContact O-CB 3.34Å; T718-F722 PolarHBondContact O-N 3.5Å |
| 719 | M | 46.8 | Very low | 47.4 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 53% | 0.527 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64 | -37.2 | -178.9 | -158.1 | 89.6 | 88.9 | 0 | 0 | 112.2 | F722 C723 | M719-F722 PolarHBondContact O-N 3.23Å; M719-C723 PolarHBondContact O-N 3.11Å |
| 720 | D | 50.3 | Low | 47.3 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.2 | -36.5 | 175.7 | -77.1 | -29.1 | 0 | 0 | 0 | 112 | T718 E724 | T718-D720 VanDerWaalsContact C-N 3.34Å; T718-D720 PolarHBondContact O-N 2.73Å; D720-E724 WeakPolarHBondContact O-CB 3.43Å; D720-E724 PolarHBondContact O-N 2.85Å |
| 721 | E | 50 | Low | 47.3 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 60% | 0.603 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.1 | -33 | 174.1 | -74 | -170.9 | 149.2 | 0 | 0 | 112.3 | T718 E724 Q725 | T718-E721 PolarHBondContact O-N 2.84Å; E721-E724 WeakPolarHBondContact O-CB 3.3Å; E721-E724 PolarHBondContact O-N 3.5Å; E721-Q725 WeakPolarHBondContact O-CB 3.21Å; E721-Q725 WeakPolarHBondContact O-CG 3.37Å; E721-Q725 PolarHBondContact O-N 3.36Å |
| 722 | F | 47 | Very low | 47.1 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 33% | 0.325 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.1 | -44.4 | 174.9 | -175 | -103.3 | 0 | 0 | 0 | 111.6 | H713 T718 M719 E724 Q725 V726 | H713-F722 AromaticContact CE1-CD2 3.65Å; H713-F722 AromaticContact CE1-CE2 3.3Å; H713-F722 WeakPolarHBondContact CE1-CE2 3.15Å; H713-F722 AromaticContact CE1-CZ 3.72Å; H713-F722 AromaticContact NE2-CD1 3.93Å; H713-F722 AromaticContact NE2-CD2 3.67Å; H713-F722 AromaticContact NE2-CE1 3.54Å; H713-F722 AromaticContact NE2-CE2 3.26Å; H713-F722 VanDerWaalsContact NE2-CE2 3.26Å; H713-F722 WeakPolarHBondContact NE2-CE2 3.37Å; H713-F722 AromaticContact NE2-CG 3.99Å; H713-F722 AromaticContact NE2-CZ 3.18Å; H713-F722 WeakPolarHBondContact NE2-CZ 3.49Å; T718-F722 WeakPolarHBondContact O-CB 3.34Å; T718-F722 PolarHBondContact O-N 3.5Å; M719-F722 PolarHBondContact O-N 3.23Å; F722-E724 VanDerWaalsContact C-N 3.3Å; F722-E724 PolarHBondContact O-N 2.88Å; F722-Q725 PolarHBondContact O-N 2.82Å; F722-Q725 VanDerWaalsContact O-N 3.15Å; F722-V726 HydrophobicContact CD1-CG2 4.1Å; F722-V726 HydrophobicContact CD2-CG2 4.49Å; F722-V726 HydrophobicContact CE1-CG2 3.74Å; F722-V726 HydrophobicContact CE2-CG2 4.15Å; F722-V726 HydrophobicContact CG-CG2 4.46Å; F722-V726 HydrophobicContact CZ-CG2 3.77Å; F722-V726 WeakPolarHBondContact O-CB 3.13Å; F722-V726 VanDerWaalsContact O-CG2 3.29Å; F722-V726 WeakPolarHBondContact O-CG2 3.41Å; F722-V726 PolarHBondContact O-N 3.26Å |
| 723 | C | 49.7 | Very low | 47.3 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 42% | 0.419 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.4 | -40.1 | 172.1 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | M719 W727 | M719-C723 PolarHBondContact O-N 3.11Å; C723-W727 WeakPolarHBondContact O-CB 3.33Å; C723-W727 PolarHBondContact O-N 3.13Å; C723-W727 VanDerWaalsContact O-N 3.09Å |
| 724 | E | 52.9 | Low | 47.4 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.9 | -40.5 | 172.3 | -95.6 | -100.4 | 153.4 | 0 | 0 | 113 | D720 E721 F722 K728 | D720-E724 WeakPolarHBondContact O-CB 3.43Å; D720-E724 PolarHBondContact O-N 2.85Å; E721-E724 WeakPolarHBondContact O-CB 3.3Å; E721-E724 PolarHBondContact O-N 3.5Å; F722-E724 VanDerWaalsContact C-N 3.3Å; F722-E724 PolarHBondContact O-N 2.88Å; E724-K728 WeakPolarHBondContact O-CB 3.4Å; E724-K728 WeakPolarHBondContact O-CG 3.3Å; E724-K728 PolarHBondContact O-N 3.09Å; E724-K728 IonicContact OE2-NZ 2.78Å; E724-K728 PolarHBondContact OE2-NZ 3.19Å |
| 725 | Q | 52.1 | Low | 47.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.6 | -37.6 | 179.2 | -82 | -174.4 | 1.7 | 0 | 0 | 113 | E721 F722 K728 R729 | E721-Q725 WeakPolarHBondContact O-CB 3.21Å; E721-Q725 WeakPolarHBondContact O-CG 3.37Å; E721-Q725 PolarHBondContact O-N 3.36Å; F722-Q725 PolarHBondContact O-N 2.82Å; F722-Q725 VanDerWaalsContact O-N 3.15Å; Q725-K728 PolarHBondContact O-N 2.8Å; Q725-R729 WeakPolarHBondContact O-CB 3.43Å; Q725-R729 PolarHBondContact O-N 3.01Å |
| 726 | V | 49.1 | Very low | 47.3 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 47% | 0.467 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65 | -42.8 | 173.9 | 173 | 0 | 0 | 0 | 0 | 109.9 | F722 K728 R729 D730 | F722-V726 HydrophobicContact CD1-CG2 4.1Å; F722-V726 HydrophobicContact CD2-CG2 4.49Å; F722-V726 HydrophobicContact CE1-CG2 3.74Å; F722-V726 HydrophobicContact CE2-CG2 4.15Å; F722-V726 HydrophobicContact CG-CG2 4.46Å; F722-V726 HydrophobicContact CZ-CG2 3.77Å; F722-V726 WeakPolarHBondContact O-CB 3.13Å; F722-V726 VanDerWaalsContact O-CG2 3.29Å; F722-V726 WeakPolarHBondContact O-CG2 3.41Å; F722-V726 PolarHBondContact O-N 3.26Å; V726-K728 VanDerWaalsContact C-N 3.31Å; V726-K728 PolarHBondContact O-N 3.01Å; V726-R729 PolarHBondContact O-N 3.04Å; V726-D730 PolarHBondContact O-N 2.97Å |
| 727 | W | 45.6 | Very low | 46.7 | Very low | 196 Ų | 196 | 146 Ų | 146 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.2 | -31.7 | 173.5 | -121.5 | -60.5 | 0 | 0 | 0 | 113.4 | C723 | C723-W727 WeakPolarHBondContact O-CB 3.33Å; C723-W727 PolarHBondContact O-N 3.13Å; C723-W727 VanDerWaalsContact O-N 3.09Å |
| 728 | K | 47.3 | Very low | 46.1 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 55% | 0.548 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -77.8 | -31.6 | 174.8 | -82.4 | 169.4 | 175.3 | 149.7 | 0 | 113.3 | E724 Q725 V726 R731 K732 | E724-K728 WeakPolarHBondContact O-CB 3.4Å; E724-K728 WeakPolarHBondContact O-CG 3.3Å; E724-K728 PolarHBondContact O-N 3.09Å; E724-K728 IonicContact OE2-NZ 2.78Å; E724-K728 PolarHBondContact OE2-NZ 3.19Å; Q725-K728 PolarHBondContact O-N 2.8Å; V726-K728 VanDerWaalsContact C-N 3.31Å; V726-K728 PolarHBondContact O-N 3.01Å; K728-R731 PolarHBondContact O-N 2.97Å; K728-K732 PolarHBondContact O-N 3.16Å |
| 729 | R | 47.2 | Very low | 45 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 69% | 0.694 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.1 | -38.7 | 177.4 | -118.7 | 175.9 | 169.1 | 169.8 | -4.7 | 111.9 | Q725 V726 R731 K732 Q733 | Q725-R729 WeakPolarHBondContact O-CB 3.43Å; Q725-R729 PolarHBondContact O-N 3.01Å; V726-R729 PolarHBondContact O-N 3.04Å; R729-R731 VanDerWaalsContact C-N 3.29Å; R729-R731 PolarHBondContact O-N 3.34Å; R729-K732 PolarHBondContact O-N 2.77Å; R729-K732 VanDerWaalsContact O-N 3.07Å; R729-Q733 PolarHBondContact O-N 3.15Å |
| 730 | D | 44.5 | Very low | 44.2 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.9 | -30.6 | 177 | -153.5 | 34 | 0 | 0 | 0 | 112.1 | V726 | V726-D730 PolarHBondContact O-N 2.97Å |
| 731 | R | 45.5 | Very low | 43.2 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.5 | -27.4 | 170 | -82.3 | -176.6 | 171 | -176.9 | 0 | 114.3 | K728 R729 | K728-R731 PolarHBondContact O-N 2.97Å; R729-R731 VanDerWaalsContact C-N 3.29Å; R729-R731 PolarHBondContact O-N 3.34Å |
| 732 | K | 43.6 | Very low | 42.6 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -84.4 | -34.9 | 178.7 | -102.6 | -177.5 | 177 | 179.5 | 0 | 112.8 | K728 R729 R734 R735 | K728-K732 PolarHBondContact O-N 3.16Å; R729-K732 PolarHBondContact O-N 2.77Å; R729-K732 VanDerWaalsContact O-N 3.07Å; K732-R734 PolarHBondContact O-N 3.29Å; K732-R735 PolarHBondContact O-N 3.05Å |
| 733 | Q | 43.9 | Very low | 41.7 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -64.9 | -25 | 174.1 | -83.4 | -176 | -4.9 | 0 | 0 | 112.8 | R729 R735 | R729-Q733 PolarHBondContact O-N 3.15Å; Q733-R735 PolarHBondContact O-N 3.19Å |
| 734 | R | 44.7 | Very low | 40.7 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -7.2 | 169 | -86.6 | -176.2 | 168.2 | -172.3 | -2.1 | 115.2 | K732 | K732-R734 PolarHBondContact O-N 3.29Š|
| 735 | R | 45.2 | Very low | 39.5 | Very low | 225 Ų | 225 | 157.8 Ų | 157.8 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -1.3 | -174.9 | -88.4 | -175 | 170.8 | -175.5 | -2.2 | 115.8 | K732 Q733 | K732-R735 PolarHBondContact O-N 3.05Å; Q733-R735 PolarHBondContact O-N 3.19Å |
| 736 | Q | 42 | Very low | 38.7 | Very low | 170 Ų | 170 | 158.5 Ų | 158.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -137.3 | 80.4 | 177.6 | -71.4 | -173.1 | -3.2 | 0 | 0 | 112.2 | ||||
| 737 | R | 33.7 | Very low | 37.9 | Very low | 246 Ų | 246 | 163.4 Ų | 163.4 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -114.2 | 116.5 | 141.8 | -105.5 | -173.5 | 170.8 | -173.2 | -2 | 107.1 | ||||
| 738 | P | 33.4 | Very low | 37 | Very low | 127 Ų | 127 | 165.2 Ų | 165.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -75 | 152.4 | 172.6 | 16.9 | -10.9 | 0 | 0 | 0 | 112 | ||||
| 739 | A | 31.3 | Very low | 36 | Very low | 86 Ų | 86 | 169.3 Ų | 169.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -76.3 | 134.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 740 | N | 29.9 | Very low | 35.1 | Very low | 162 Ų | 162 | 168.3 Ų | 168.3 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | 154.8 | 97.8 | 125.1 | -82.2 | -14.3 | 0 | 0 | 0 | 112.5 | |||||
| 741 | A | 29.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 170.1 Ų | 170.1 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -165.7 | 114.6 | 133 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 742 | Q | 35.9 | Very low | 33.3 | Very low | 193 Ų | 193 | 168.7 Ų | 168.7 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -62.5 | 144.7 | -170.8 | -67.6 | 161.3 | -55.3 | 0 | 0 | 112.8 | ||||
| 743 | V | 28.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 168.4 Ų | 168.4 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | -168.5 | 114.3 | 118.1 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 744 | N | 29.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 168 Ų | 168 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | 35.1 | 99.2 | 150.8 | -114.4 | -11.4 | 0 | 0 | 0 | 121.9 | ||||
| 745 | T | 26.3 | Very low | 30.9 | Very low | 132 Ų | 132 | 165.3 Ų | 165.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -102 | 92.8 | 164.6 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 746 | N | 36.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 164.9 Ų | 164.9 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -114.8 | 129.5 | 152 | -89 | -20.4 | 0 | 0 | 0 | 106.8 | ||||
| 747 | K | 32.5 | Very low | 29.5 | Very low | 179 Ų | 179 | 160.3 Ų | 160.3 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 79.7 | 104.7 | -160.9 | -52.7 | 170.5 | 173.4 | 177.8 | 0 | 109.8 | ||
| 748 | W | 25.4 | Very low | 29.3 | Very low | 235 Ų | 235 | 159.3 Ų | 159.3 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | -164 | 75.2 | 60.5 | -79.1 | 90.7 | 0 | 0 | 0 | 109.9 | |||||
| 749 | K | 26.4 | Very low | 29.1 | Very low | 212 Ų | 212 | 159.7 Ų | 159.7 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | -98.3 | 81.7 | 160.6 | -97.2 | -172 | 177.3 | 178 | 0 | 108.7 | ||||
| 750 | H | 28.7 | Very low | 29 | Very low | 162 Ų | 162 | 164.4 Ų | 164.4 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | trans | -164.6 | 138.3 | 147.8 | -142.9 | -91.6 | 0 | 0 | 0 | 109 | ||||
| 751 | L | 27.6 | Very low | 29 | Very low | 152 Ų | 152 | 166.1 Ų | 166.1 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 87.8 | 74.5 | 177.4 | -68 | 102.7 | 0 | 0 | 0 | 118 | ||||
| 752 | Q | 25.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 167 Ų | 167 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | S | Bend | 163.7 | 123.9 | 123.1 | -90.9 | 177.8 | -21.8 | 0 | 0 | 104.8 | |||
| 753 | E | 28.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 166.1 Ų | 166.1 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | -171.1 | 148.2 | 14.3 | -115.5 | 161.8 | -165.3 | 0 | 0 | 104.5 | ||||
| 754 | N | 24.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 166.9 Ų | 166.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -148.9 | 113.9 | 165.4 | -111 | -19.4 | 0 | 0 | 0 | 103.4 | ||||
| 755 | K | 29.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 167.4 Ų | 167.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | cis | -175.1 | 160.7 | 45.5 | -90.2 | 162 | 173.7 | 174.7 | 0 | 108.6 | ||||
| 756 | K | 29 | Very low | 28.7 | Very low | 215 Ų | 215 | 168.5 Ų | 168.5 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | 170.1 | 141.9 | 108 | -89 | 168 | -176.1 | 179.9 | 0 | 108.1 | |||||
| 757 | G | 27.8 | Very low | 28.4 | Very low | 74 Ų | 74 | 172.6 Ų | 172.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | -158.1 | -158.6 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 758 | R | 30 | Very low | 28.5 | Very low | 225 Ų | 225 | 168.1 Ų | 168.1 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | cis | -172.8 | 139.5 | 7 | -160.4 | 178.4 | -172.6 | 173.1 | 1.3 | 106.5 | ||||
| 759 | N | 28.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 162 Ų | 162 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 60 | 143.4 | 155.9 | -72.9 | -9.5 | 0 | 0 | 0 | 120.1 | ||||
| 760 | R | 30.2 | Very low | 29.8 | Very low | 185 Ų | 185 | 162.5 Ų | 162.5 | 70% | 0.698 | 77% | 0.77 | S | S | * | * | cis | -167.8 | 145.5 | 23.3 | -131.7 | 180 | 177.9 | 174.7 | -0.8 | 111.9 | ||||
| 761 | R | 29.7 | Very low | 30.1 | Very low | 198 Ų | 198 | 159.4 Ų | 159.4 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | 66.3 | 133 | 150.5 | -72.3 | 167.8 | -179.6 | -173.1 | -2.9 | 118.5 | ||||
| 762 | T | 28.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 162.7 Ų | 162.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | -156.3 | 144.2 | 50.1 | 38 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 763 | H | 28.2 | Very low | 31 | Very low | 174 Ų | 174 | 162.3 Ų | 162.3 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 44.8 | 134.6 | 146.4 | -84.5 | -94.9 | 0 | 0 | 0 | 120.4 | ||||
| 764 | E | 27.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 162.3 Ų | 162.3 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | cis | -172.2 | 156.8 | 44.9 | -123.6 | 176 | -175.3 | 0 | 0 | 113.2 | ||||
| 765 | F | 29.4 | Very low | 31.5 | Very low | 163 Ų | 163 | 163.2 Ų | 163.2 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | 64.5 | 119.7 | 154.9 | -74.3 | -73 | 0 | 0 | 0 | 126 | ||||
| 766 | E | 30.4 | Very low | 31.6 | Very low | 155 Ų | 155 | 162.5 Ų | 162.5 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -1.8 | 142.3 | 143 | -68.8 | -177.6 | 137 | 0 | 0 | 117.9 | ||||
| 767 | R | 29.4 | Very low | 31.8 | Very low | 229 Ų | 229 | 159.2 Ų | 159.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | -173.9 | 155.3 | 57.8 | -131.9 | 168.5 | -153.6 | 169.5 | 6 | 110.9 | |||||
| 768 | A | 35.3 | Very low | 32.1 | Very low | 86 Ų | 86 | 164.9 Ų | 164.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -83.9 | -179.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 769 | P | 48.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 160.6 Ų | 160.6 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -149.1 | -175.7 | 11.9 | 41.3 | -18.6 | 0 | 0 | 0 | 117.9 | ||||
| 770 | R | 30.4 | Very low | 32.5 | Very low | 223 Ų | 223 | 162.5 Ų | 162.5 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 83.4 | 115.7 | 136.3 | -91.9 | 173.2 | -158.9 | -170.6 | 5.1 | 122.1 | ||||
| 771 | S | 35.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 160.6 Ų | 160.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | 46.9 | 124.3 | 123.7 | 62.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 772 | V | 39.8 | Very low | 33 | Very low | 221 Ų | 221 | 157.2 Ų | 157.2 | 100% | 1.339 | 80% | 0.803 | S | S | * | * | -134.1 | 0 | 107.8 | -179.1 | 0 | 0 | 0 | 0 | 108 |
Retrieved 772 of 772 residues in 1193.8 ms
(Link to these results)