| 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 | 36 | Very low | 36.7 | Very low | 84 Ų | 84 | 94.5 Ų | 94.5 | 41% | 0.414 | 49% | 0.487 | S | S | . | . | 0 | -48 | 0 | -114 | -75.3 | -159.4 | 0 | 0 | 111.4 | Y3 V4 K5 C801 I803 | M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-V4 CarbonylContact O-C 3.46Å; M1-V4 PolarHBondContact O-N 2.82Å; M1-K5 VanDerWaalsContact O-CB 3.25Å; M1-K5 WeakPolarHBondContact O-CB 3.17Å; M1-K5 VanDerWaalsContact O-CG 3.25Å; M1-K5 WeakPolarHBondContact O-CG 3.17Å; M1-K5 PolarHBondContact O-N 3.21Å; M1-K5 HydrophobicContact SD-CG 4.4Å; M1-C801 WeakPolarHBondContact CE-SG 3.4Å; M1-I803 HydrophobicContact CB-CD1 4.26Å; M1-I803 HydrophobicContact CE-CD1 4.19Å; M1-I803 HydrophobicContact CE-CG1 4.38Å; M1-I803 HydrophobicContact CG-CD1 3.42Å; M1-I803 VanDerWaalsContact CG-CD1 3.42Å; M1-I803 HydrophobicContact CG-CG1 4.03Å | |||
| 2 | E | 37.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 95 Ų | 95 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 165 | -84.7 | 178.7 | 165.5 | 0 | 0 | 110.9 | K5 S6 | E2-K5 CarbonylContact O-C 3.44Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-S6 WeakPolarHBondContact O-CB 3.18Å; E2-S6 PolarHBondContact O-N 3.28Å; E2-S6 PolarHBondContact O-OG 2.75Å; E2-S6 VanDerWaalsContact O-OG 3.07Å |
| 3 | Y | 33.5 | Very low | 35.6 | Very low | 121 Ų | 121 | 97.2 Ų | 97.2 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.4 | -53.1 | 168.1 | -170.2 | -96 | 0 | 0 | 0 | 113.2 | M1 K5 S6 T7 E25 | M1-Y3 VanDerWaalsContact C-N 3.26Å; Y3-K5 PolarHBondContact O-N 3.5Å; Y3-S6 WeakPolarHBondContact CA-OG 3.47Å; Y3-S6 PolarHBondContact O-N 3.22Å; Y3-S6 VanDerWaalsContact O-N 3.07Å; Y3-S6 PolarHBondContact O-OG 2.91Å; Y3-T7 PolarHBondContact O-N 3.36Å; Y3-T7 PolarHBondContact O-OG1 3.27Å; Y3-T7 VanDerWaalsContact O-OG1 3.06Å; Y3-E25 WeakPolarHBondContact CE1-OE1 2.91Å; Y3-E25 VanDerWaalsContact CZ-OE1 3.31Å; Y3-E25 VanDerWaalsContact CZ-OE2 3.26Å; Y3-E25 PolarHBondContact OH-OE1 3.15Å; Y3-E25 PolarHBondContact OH-OE2 3.44Å |
| 4 | V | 39.7 | Very low | 35.3 | Very low | 56 Ų | 56 | 99.1 Ų | 99.1 | 34% | 0.339 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -27.4 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | M1 G8 | M1-V4 CarbonylContact O-C 3.46Å; M1-V4 PolarHBondContact O-N 2.82Å; V4-G8 WeakPolarHBondContact O-CA 3.5Å; V4-G8 PolarHBondContact O-N 3.29Å |
| 5 | K | 37.2 | Very low | 35.2 | Very low | 159 Ų | 159 | 98.5 Ų | 98.5 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -81.8 | -30.3 | 175.4 | -79.2 | 178.9 | 178.5 | -176.7 | 0 | 112 | M1 E2 Y3 | M1-K5 VanDerWaalsContact O-CB 3.25Å; M1-K5 WeakPolarHBondContact O-CB 3.17Å; M1-K5 VanDerWaalsContact O-CG 3.25Å; M1-K5 WeakPolarHBondContact O-CG 3.17Å; M1-K5 PolarHBondContact O-N 3.21Å; M1-K5 HydrophobicContact SD-CG 4.4Å; E2-K5 CarbonylContact O-C 3.44Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-K5 VanDerWaalsContact O-N 3.15Å; Y3-K5 PolarHBondContact O-N 3.5Å |
| 6 | S | 40.6 | Very low | 35.1 | Very low | 90 Ų | 90 | 101.6 Ų | 101.6 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -83.3 | -32.9 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | E2 Y3 | E2-S6 WeakPolarHBondContact O-CB 3.18Å; E2-S6 PolarHBondContact O-N 3.28Å; E2-S6 PolarHBondContact O-OG 2.75Å; E2-S6 VanDerWaalsContact O-OG 3.07Å; Y3-S6 WeakPolarHBondContact CA-OG 3.47Å; Y3-S6 PolarHBondContact O-N 3.22Å; Y3-S6 VanDerWaalsContact O-N 3.07Å; Y3-S6 PolarHBondContact O-OG 2.91Å |
| 7 | T | 44 | Very low | 34.8 | Very low | 38 Ų | 38 | 107.3 Ų | 107.3 | 23% | 0.233 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -122.8 | -7.6 | -173.8 | 69.4 | 0 | 0 | 0 | 0 | 114.8 | Y3 C9 E25 | Y3-T7 PolarHBondContact O-N 3.36Å; Y3-T7 PolarHBondContact O-OG1 3.27Å; Y3-T7 VanDerWaalsContact O-OG1 3.06Å; T7-C9 PolarHBondContact O-N 3.12Å; T7-C9 VanDerWaalsContact O-N 3.11Å; T7-E25 WeakPolarHBondContact CB-OE2 3.45Å; T7-E25 WeakPolarHBondContact CG2-OE2 3.3Å; T7-E25 PolarHBondContact OG1-OE2 3.22Å |
| 8 | G | 34.6 | Very low | 34.7 | Very low | 56 Ų | 56 | 106.5 Ų | 106.5 | 58% | 0.577 | 57% | 0.574 | S | S | * | * | trans | 71.3 | 1.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V4 | V4-G8 WeakPolarHBondContact O-CA 3.5Å; V4-G8 PolarHBondContact O-N 3.29Å | ||
| 9 | C | 30.4 | Very low | 34.5 | Very low | 32 Ų | 32 | 107.5 Ų | 107.5 | 22% | 0.216 | 59% | 0.587 | C | S | . | * | trans | -108.6 | 148.9 | -171.3 | -79.9 | 0 | 0 | 0 | 0 | 114.8 | T7 E25 | T7-C9 PolarHBondContact O-N 3.12Å; T7-C9 VanDerWaalsContact O-N 3.11Å; C9-E25 HydrophobicContact CB-CB 4.38Å; C9-E25 HydrophobicContact CB-CG 3.65Å | ||
| 10 | Y | 36.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 51% | 0.514 | 58% | 0.584 | S | S | . | * | trans | -130.7 | 118.6 | 171.3 | -179.6 | -84.1 | 0 | 0 | 0 | 107.6 | P12 | Y10-P12 WeakPolarHBondContact O-CD 3.47Š| ||
| 11 | Q | 33.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 106.6 Ų | 106.6 | 47% | 0.472 | 58% | 0.581 | S | S | . | * | trans | -88.8 | 122.1 | 177.4 | -76.2 | -179.8 | -25.1 | 0 | 0 | 111.2 | ||||
| 12 | P | 31.5 | Very low | 34.7 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | trans | -79.6 | 140 | 163.7 | -6.5 | 25.4 | 0 | 0 | 0 | 110.4 | Y10 T14 | Y10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-T14 PolarHBondContact O-N 2.94Å | ||
| 13 | L | 28.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 104.1 Ų | 104.1 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | trans | -75 | 106.2 | 176.1 | -70.6 | 158.9 | 0 | 0 | 0 | 109.6 | F681 | L13-F681 HydrophobicContact CD1-CB 3.4Å; L13-F681 HydrophobicContact CD1-CD1 4.43Å; L13-F681 HydrophobicContact CD1-CD2 3.37Å; L13-F681 HydrophobicContact CD1-CE2 4.17Å; L13-F681 HydrophobicContact CD1-CG 3.51Å | ||
| 14 | T | 31.4 | Very low | 34.9 | Very low | 125 Ų | 125 | 100.5 Ų | 100.5 | 77% | 0.767 | 58% | 0.577 | S | S | * | * | trans | -117.8 | 128.1 | 161.1 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | P12 D16 | P12-T14 PolarHBondContact O-N 2.94Å; T14-D16 PolarHBondContact O-N 3.28Å | ||
| 15 | S | 33.9 | Very low | 35 | Very low | 89 Ų | 89 | 99.2 Ų | 99.2 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -68.6 | 94.3 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 16 | D | 32.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 98.4 Ų | 98.4 | 80% | 0.797 | 57% | 0.571 | S | S | * | * | trans | -160 | 102.1 | 147.9 | -90.4 | -28.7 | 0 | 0 | 0 | 107.1 | T14 T18 | T14-D16 PolarHBondContact O-N 3.28Å; D16-T18 VanDerWaalsContact C-N 3.25Å; D16-T18 PolarHBondContact O-N 2.87Å | ||
| 17 | H | 30.1 | Very low | 35.7 | Very low | 198 Ų | 198 | 95.9 Ų | 95.9 | 92% | 0.917 | 55% | 0.552 | S | S | * | * | trans | -73.4 | 78.3 | -178.9 | -71 | -76.8 | 0 | 0 | 0 | 110.3 | ||||
| 18 | T | 33.7 | Very low | 36.4 | Very low | 93 Ų | 93 | 98.4 Ų | 98.4 | 57% | 0.571 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -110.4 | 137.1 | 141.3 | 53.8 | 0 | 0 | 0 | 0 | 106.3 | D16 F20 | D16-T18 VanDerWaalsContact C-N 3.25Å; D16-T18 PolarHBondContact O-N 2.87Å; T18-F20 PolarHBondContact O-N 3.41Å |
| 19 | P | 30.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 97.8 Ų | 97.8 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | trans | -71.4 | 74.4 | -168.4 | 29 | -33.8 | 0 | 0 | 0 | 111.5 | S21 | P19-S21 PolarHBondContact O-N 2.91Š| ||
| 20 | F | 35.8 | Very low | 39.2 | Very low | 122 Ų | 122 | 100 Ų | 100 | 54% | 0.535 | 58% | 0.579 | S | S | . | * | trans | -77.1 | 60.1 | 166.1 | -103.7 | -83.2 | 0 | 0 | 0 | 109.2 | T18 | T18-F20 PolarHBondContact O-N 3.41Š| ||
| 21 | S | 39.4 | Very low | 41.4 | Very low | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -128.1 | 12.6 | -179 | -164 | 0 | 0 | 0 | 0 | 115.1 | P19 | P19-S21 PolarHBondContact O-N 2.91Š|
| 22 | S | 35.2 | Very low | 44.1 | Very low | 98 Ų | 98 | 90.6 Ų | 90.6 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -127.3 | -22.8 | 172.7 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 23 | L | 35 | Very low | 47 | Very low | 104 Ų | 104 | 87.1 Ų | 87.1 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -94.5 | -25 | -173.6 | -70.4 | 171.2 | 0 | 0 | 0 | 114.7 | E25 V27 | L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.94Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å |
| 24 | A | 39.9 | Very low | 49.9 | Very low | 46 Ų | 46 | 89.3 Ų | 89.3 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -75.7 | -15.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 25 | E | 42 | Very low | 52.9 | Low | 28 Ų | 28 | 84.8 Ų | 84.8 | 13% | 0.131 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -89.8 | -18.9 | -171.3 | -61.6 | -158.2 | 173.2 | 0 | 0 | 115.5 | Y3 T7 C9 L23 | Y3-E25 WeakPolarHBondContact CE1-OE1 2.91Å; Y3-E25 VanDerWaalsContact CZ-OE1 3.31Å; Y3-E25 VanDerWaalsContact CZ-OE2 3.26Å; Y3-E25 PolarHBondContact OH-OE1 3.15Å; Y3-E25 PolarHBondContact OH-OE2 3.44Å; T7-E25 WeakPolarHBondContact CB-OE2 3.45Å; T7-E25 WeakPolarHBondContact CG2-OE2 3.3Å; T7-E25 PolarHBondContact OG1-OE2 3.22Å; C9-E25 HydrophobicContact CB-CB 4.38Å; C9-E25 HydrophobicContact CB-CG 3.65Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.94Å |
| 26 | D | 40.8 | Very low | 55.8 | Low | 142 Ų | 142 | 83.7 Ų | 83.7 | 76% | 0.759 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -127.1 | 10.6 | -171.7 | -81.9 | -32.4 | 0 | 0 | 0 | 115.8 | A28 | D26-A28 PolarHBondContact O-N 3.01Š|
| 27 | V | 51.5 | Low | 58.9 | Low | 38 Ų | 38 | 77.7 Ų | 77.7 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | trans | -81.2 | 69.9 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | L23 F29 T239 Y243 | L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; V27-F29 HydrophobicContact CG1-CD2 4.06Å; V27-F29 HydrophobicContact CG1-CE2 3.55Å; V27-F29 HydrophobicContact CG1-CZ 4.05Å; V27-T239 HydrophobicContact CB-CG2 4.34Å; V27-T239 HydrophobicContact CG1-CG2 3.39Å; V27-T239 HydrophobicContact CG2-CG2 3.92Å; V27-Y243 WeakPolarHBondContact O-CD2 3.44Å | ||
| 28 | A | 57.7 | Low | 62.1 | Low | 90 Ų | 90 | 71.3 Ų | 71.3 | 74% | 0.744 | 43% | 0.427 | S | S | * | . | trans | -90.1 | 103.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | D26 A30 | D26-A28 PolarHBondContact O-N 3.01Å; A28-A30 PolarHBondContact O-N 3.25Å | ||
| 29 | F | 60.8 | Low | 65.1 | Low | 43 Ų | 43 | 69 Ų | 69 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | trans | -66.8 | 107.1 | 165.2 | -70.6 | -81.6 | 0 | 0 | 0 | 108.5 | V27 D31 I32 V35 T239 L240 Y243 | V27-F29 HydrophobicContact CG1-CD2 4.06Å; V27-F29 HydrophobicContact CG1-CE2 3.55Å; V27-F29 HydrophobicContact CG1-CZ 4.05Å; F29-D31 PolarHBondContact O-N 3.26Å; F29-I32 HydrophobicContact CB-CG2 3.71Å; F29-I32 HydrophobicContact CG-CG2 4.33Å; F29-V35 HydrophobicContact CD1-CG2 4.23Å; F29-V35 HydrophobicContact CE1-CG2 3.68Å; F29-V35 HydrophobicContact CZ-CG2 4.33Å; F29-T239 HydrophobicContact CZ-CG2 4.04Å; F29-L240 HydrophobicContact CE1-CD2 4.27Å; F29-L240 HydrophobicContact CE2-CD2 3.65Å; F29-L240 HydrophobicContact CZ-CD2 3.44Å; F29-L240 VanDerWaalsContact CZ-CD2 3.44Å; F29-L240 HydrophobicContact CZ-CG 4.19Å; F29-Y243 AromaticContact CD2-CD1 3.85Å; F29-Y243 HydrophobicContact CD2-CD1 3.85Å; F29-Y243 AromaticContact CD2-CD2 3.62Å; F29-Y243 HydrophobicContact CD2-CD2 3.62Å; F29-Y243 HydrophobicContact CD2-CE1 4.22Å; F29-Y243 HydrophobicContact CD2-CE2 4Å; F29-Y243 AromaticContact CD2-CG 3.52Å; F29-Y243 HydrophobicContact CD2-CG 3.52Å; F29-Y243 HydrophobicContact CE2-CD1 4.08Å; F29-Y243 HydrophobicContact CE2-CD2 4.22Å; F29-Y243 AromaticContact CE2-CG 3.72Å; F29-Y243 HydrophobicContact CE2-CG 3.72Å | ||
| 30 | A | 63.9 | Low | 68.4 | Low | 80 Ų | 80 | 63 Ų | 63 | 66% | 0.661 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -54 | -37.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A28 K97 | A28-A30 PolarHBondContact O-N 3.25Å; A30-K97 PolarHBondContact O-NZ 3.17Å |
| 31 | D | 82 | Confident | 71.4 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | trans | -145.4 | 109.3 | 179.1 | -170.1 | 10.7 | 0 | 0 | 0 | 110.6 | F29 T33 K34 K103 M107 | F29-D31 PolarHBondContact O-N 3.26Å; D31-T33 PolarHBondContact O-N 3.09Å; D31-T33 PolarHBondContact OD1-N 3.13Å; D31-T33 PolarHBondContact OD1-OG1 3.24Å; D31-T33 PolarHBondContact OD2-OG1 3.12Å; D31-K34 HydrophobicContact CB-CD 4.34Å; D31-K34 HydrophobicContact CB-CG 4.26Å; D31-K34 PolarHBondContact O-N 2.62Å; D31-K103 WeakPolarHBondContact OD1-CE 3.49Å; D31-K103 IonicContact OD1-NZ 2.84Å; D31-K103 PolarHBondContact OD1-NZ 2.89Å; D31-K103 WeakPolarHBondContact OD2-CE 3.49Å; D31-K103 IonicContact OD2-NZ 2.83Å; D31-K103 PolarHBondContact OD2-NZ 3.01Å; D31-M107 WeakPolarHBondContact OD1-CE 3.48Å | ||
| 32 | I | 91.4 | Very high | 74.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -69.7 | -20.4 | -177.7 | 58.4 | 171.1 | 0 | 0 | 0 | 113.1 | F29 K34 V35 F40 W90 E94 M107 F110 F111 Y243 | F29-I32 HydrophobicContact CB-CG2 3.71Å; F29-I32 HydrophobicContact CG-CG2 4.33Å; I32-K34 PolarHBondContact O-N 3.09Å; I32-K34 VanDerWaalsContact O-N 3.14Å; I32-V35 PolarHBondContact O-N 2.79Å; I32-V35 VanDerWaalsContact O-N 3.16Å; I32-F40 HydrophobicContact CB-CE2 4.1Å; I32-F40 HydrophobicContact CB-CZ 3.89Å; I32-F40 HydrophobicContact CG2-CZ 4.08Å; I32-F40 WeakPolarHBondContact O-CE2 3.4Å; I32-W90 HydrophobicContact CD1-CZ2 3.99Å; I32-E94 HydrophobicContact CD1-CB 4.19Å; I32-E94 HydrophobicContact CD1-CG 3.93Å; I32-M107 HydrophobicContact CD1-SD 4.29Å; I32-M107 HydrophobicContact CG1-SD 3.98Å; I32-F110 HydrophobicContact CB-CE1 4.44Å; I32-F110 HydrophobicContact CD1-CD1 4.22Å; I32-F110 HydrophobicContact CD1-CE1 3.97Å; I32-F110 HydrophobicContact CG1-CD1 4.4Å; I32-F110 HydrophobicContact CG1-CE1 4.05Å; I32-F111 HydrophobicContact CD1-CE1 4.43Å; I32-F111 HydrophobicContact CD1-CE2 4.49Å; I32-F111 HydrophobicContact CD1-CZ 3.83Å; I32-Y243 HydrophobicContact CG2-CE1 3.9Å; I32-Y243 VanDerWaalsContact CG2-OH 3.27Å; I32-Y243 WeakPolarHBondContact CG2-OH 3.43Å |
| 33 | T | 90.9 | Very high | 77.2 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -70.8 | -8.6 | -179.5 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | D31 V35 K103 E106 M107 F110 | D31-T33 PolarHBondContact O-N 3.09Å; D31-T33 PolarHBondContact OD1-N 3.13Å; D31-T33 PolarHBondContact OD1-OG1 3.24Å; D31-T33 PolarHBondContact OD2-OG1 3.12Å; T33-V35 PolarHBondContact O-N 3.1Å; T33-K103 PolarHBondContact OG1-NZ 3.05Å; T33-E106 VanDerWaalsContact CB-OE1 3.29Å; T33-E106 WeakPolarHBondContact CB-OE1 3.45Å; T33-E106 HydrophobicContact CG2-CG 4.36Å; T33-E106 PolarHBondContact OG1-OE1 3.3Å; T33-M107 HydrophobicContact CG2-CE 3.23Å; T33-M107 HydrophobicContact CG2-SD 3.78Å; T33-F110 HydrophobicContact CG2-CB 3.79Å; T33-F110 HydrophobicContact CG2-CD1 4.02Å; T33-F110 HydrophobicContact CG2-CD2 3.92Å; T33-F110 HydrophobicContact CG2-CE2 4.46Å; T33-F110 HydrophobicContact CG2-CG 3.66Å |
| 34 | K | 90.8 | Very high | 80.2 | Confident | 169 Ų | 169 | 46.2 Ų | 46.2 | 74% | 0.735 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -69.3 | -24.3 | 172.4 | -66.1 | -175.8 | 177 | -176.6 | 0 | 112.9 | D31 I32 | D31-K34 HydrophobicContact CB-CD 4.34Å; D31-K34 HydrophobicContact CB-CG 4.26Å; D31-K34 PolarHBondContact O-N 2.62Å; I32-K34 PolarHBondContact O-N 3.09Å; I32-K34 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 92.8 | Very high | 83 | Confident | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -93.2 | 144 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 108.4 | F29 I32 T33 E39 F40 F110 L240 | F29-V35 HydrophobicContact CD1-CG2 4.23Å; F29-V35 HydrophobicContact CE1-CG2 3.68Å; F29-V35 HydrophobicContact CZ-CG2 4.33Å; I32-V35 PolarHBondContact O-N 2.79Å; I32-V35 VanDerWaalsContact O-N 3.16Å; T33-V35 PolarHBondContact O-N 3.1Å; V35-E39 HydrophobicContact CG1-CB 4.01Å; V35-E39 HydrophobicContact CG1-CG 4.35Å; V35-F40 HydrophobicContact CB-CD2 4.26Å; V35-F40 HydrophobicContact CB-CE2 3.75Å; V35-F40 HydrophobicContact CG1-CD2 3.97Å; V35-F40 HydrophobicContact CG1-CE2 3.87Å; V35-F110 VanDerWaalsContact O-CE2 3.3Å; V35-F110 WeakPolarHBondContact O-CE2 3.33Å; V35-F110 WeakPolarHBondContact O-CZ 3.12Å; V35-L240 HydrophobicContact CB-CD2 4.48Å; V35-L240 HydrophobicContact CG1-CD1 3.64Å; V35-L240 HydrophobicContact CG1-CD2 3.98Å; V35-L240 HydrophobicContact CG1-CG 4.41Å; V35-L240 HydrophobicContact CG2-CD2 4.22Å |
| 36 | S | 95.8 | Very high | 85.7 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 47% | 0.469 | 26% | 0.255 | S | S | . | . | trans | -62.7 | 143.9 | -178.7 | 83.2 | 0 | 0 | 0 | 0 | 111.5 | E38 E39 F40 | S36-E38 PolarHBondContact O-N 3.45Å; S36-E39 PolarHBondContact O-N 3.46Å; S36-E39 WeakPolarHBondContact OG-CB 3.28Å; S36-E39 PolarHBondContact OG-N 3.49Å; S36-E39 VanDerWaalsContact OG-N 3.07Å; S36-F40 PolarHBondContact O-N 2.93Å | ||
| 37 | S | 97.1 | Very high | 88.4 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -26.5 | 175.6 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | A41 | S37-A41 PolarHBondContact O-N 2.8Å; S37-A41 VanDerWaalsContact O-N 3.15Å |
| 38 | E | 98.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69 | -41.5 | 175.8 | -177.2 | 170.7 | 139.5 | 0 | 0 | 111.7 | S36 F40 A41 K42 K117 F121 | S36-E38 PolarHBondContact O-N 3.45Å; E38-F40 PolarHBondContact O-N 2.75Å; E38-A41 WeakPolarHBondContact O-CB 3.41Å; E38-A41 PolarHBondContact O-N 3.4Å; E38-A41 VanDerWaalsContact O-N 3.11Å; E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.16Å; E38-K42 PolarHBondContact O-N 2.62Å; E38-K42 VanDerWaalsContact OE1-CE 3.22Å; E38-K42 WeakPolarHBondContact OE1-CE 3.48Å; E38-K42 IonicContact OE1-NZ 2.71Å; E38-K42 PolarHBondContact OE1-NZ 3.14Å; E38-K117 HydrophobicContact CB-CD 4.05Å; E38-K117 HydrophobicContact CB-CG 4.35Å; E38-K117 HydrophobicContact CG-CD 4.07Å; E38-K117 IonicContact OE2-NZ 3.11Å; E38-K117 PolarHBondContact OE2-NZ 3.36Å; E38-K117 VanDerWaalsContact OE2-NZ 3.12Å; E38-F121 HydrophobicContact CG-CE2 4.49Å; E38-F121 HydrophobicContact CG-CZ 3.9Å |
| 39 | E | 97.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 179.6 | -167.1 | 55.3 | -133.7 | 0 | 0 | 111.3 | V35 S36 A41 K42 Q43 L240 | V35-E39 HydrophobicContact CG1-CB 4.01Å; V35-E39 HydrophobicContact CG1-CG 4.35Å; S36-E39 PolarHBondContact O-N 3.46Å; S36-E39 WeakPolarHBondContact OG-CB 3.28Å; S36-E39 PolarHBondContact OG-N 3.49Å; S36-E39 VanDerWaalsContact OG-N 3.07Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 2.87Å; E39-K42 PolarHBondContact O-N 3.4Å; E39-Q43 WeakPolarHBondContact O-CG 3.1Å; E39-Q43 PolarHBondContact O-N 3.25Å; E39-Q43 PolarHBondContact OE1-NE2 2.78Å; E39-L240 HydrophobicContact CB-CD1 4.19Å; E39-L240 HydrophobicContact CG-CD1 3.34Å |
| 40 | F | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 170 | -86.9 | -73.6 | 0 | 0 | 0 | 112.5 | I32 V35 S36 E38 K42 Q43 I44 W90 F110 I114 L240 Y243 L244 | I32-F40 HydrophobicContact CB-CE2 4.1Å; I32-F40 HydrophobicContact CB-CZ 3.89Å; I32-F40 HydrophobicContact CG2-CZ 4.08Å; I32-F40 WeakPolarHBondContact O-CE2 3.4Å; V35-F40 HydrophobicContact CB-CD2 4.26Å; V35-F40 HydrophobicContact CB-CE2 3.75Å; V35-F40 HydrophobicContact CG1-CD2 3.97Å; V35-F40 HydrophobicContact CG1-CE2 3.87Å; S36-F40 PolarHBondContact O-N 2.93Å; E38-F40 PolarHBondContact O-N 2.75Å; F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.28Å; F40-Q43 PolarHBondContact O-N 3.13Å; F40-I44 VanDerWaalsContact O-CB 3.3Å; F40-I44 WeakPolarHBondContact O-CB 3.36Å; F40-I44 WeakPolarHBondContact O-CD1 3.11Å; F40-I44 WeakPolarHBondContact O-CG1 3.09Å; F40-I44 PolarHBondContact O-N 3.14Å; F40-W90 AromaticContact CD1-CH2 3.86Å; F40-W90 HydrophobicContact CD1-CH2 3.86Å; F40-W90 HydrophobicContact CD1-CZ2 4.18Å; F40-W90 HydrophobicContact CE1-CH2 4.06Å; F40-W90 AromaticContact CE1-CZ2 3.89Å; F40-W90 HydrophobicContact CE1-CZ2 3.89Å; F40-F110 AromaticContact CD2-CE1 3.94Å; F40-F110 HydrophobicContact CD2-CE1 3.94Å; F40-F110 AromaticContact CD2-CZ 3.53Å; F40-F110 HydrophobicContact CD2-CZ 3.53Å; F40-F110 AromaticContact CE2-CE1 3.98Å; F40-F110 HydrophobicContact CE2-CE1 3.98Å; F40-F110 AromaticContact CE2-CZ 3.72Å; F40-F110 HydrophobicContact CE2-CZ 3.72Å; F40-I114 HydrophobicContact CB-CD1 3.87Å; F40-I114 HydrophobicContact CB-CG1 4.16Å; F40-I114 HydrophobicContact CD2-CD1 4.46Å; F40-I114 HydrophobicContact CG-CD1 4.21Å; F40-L240 HydrophobicContact CE1-CD2 3.91Å; F40-L240 HydrophobicContact CE2-CD2 4.29Å; F40-L240 HydrophobicContact CZ-CD2 3.78Å; F40-Y243 HydrophobicContact CE1-CD1 4.09Å; F40-Y243 HydrophobicContact CE1-CE1 4.02Å; F40-Y243 HydrophobicContact CZ-CE1 4.3Å; F40-L244 HydrophobicContact CD1-CD1 4.38Å; F40-L244 HydrophobicContact CD1-CD2 4.11Å; F40-L244 HydrophobicContact CD1-CG 4.47Å; F40-L244 HydrophobicContact CE1-CD2 4.19Å; F40-L244 HydrophobicContact CE1-CG 4.49Å |
| 41 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S37 E38 E39 T45 I114 K117 L118 F121 | S37-A41 PolarHBondContact O-N 2.8Å; S37-A41 VanDerWaalsContact O-N 3.15Å; E38-A41 WeakPolarHBondContact O-CB 3.41Å; E38-A41 PolarHBondContact O-N 3.4Å; E38-A41 VanDerWaalsContact O-N 3.11Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 2.87Å; A41-T45 WeakPolarHBondContact O-CB 3.31Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.92Å; A41-I114 HydrophobicContact CB-CG2 4.32Å; A41-K117 HydrophobicContact CB-CB 3.59Å; A41-L118 HydrophobicContact CB-CD2 3.97Å; A41-L118 HydrophobicContact CB-CG 3.97Å; A41-F121 HydrophobicContact CB-CD2 4.06Å; A41-F121 HydrophobicContact CB-CE2 3.72Å |
| 42 | K | 98.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -52.6 | 174.6 | -72.5 | 175.6 | -177.1 | 160.7 | 0 | 111.3 | E38 E39 F40 I44 T45 L46 F121 F234 | E38-K42 HydrophobicContact CG-CD 4.48Å; E38-K42 WeakPolarHBondContact O-CG 3.16Å; E38-K42 PolarHBondContact O-N 2.62Å; E38-K42 VanDerWaalsContact OE1-CE 3.22Å; E38-K42 WeakPolarHBondContact OE1-CE 3.48Å; E38-K42 IonicContact OE1-NZ 2.71Å; E38-K42 PolarHBondContact OE1-NZ 3.14Å; E39-K42 PolarHBondContact O-N 3.4Å; F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.28Å; K42-I44 PolarHBondContact O-N 3.07Å; K42-T45 WeakPolarHBondContact O-CB 3.22Å; K42-T45 PolarHBondContact O-N 3.36Å; K42-T45 VanDerWaalsContact O-N 3.15Å; K42-L46 WeakPolarHBondContact O-CG 3.3Å; K42-L46 PolarHBondContact O-N 3.02Å; K42-F121 HydrophobicContact CG-CE2 3.75Å; K42-F121 HydrophobicContact CG-CZ 3.95Å; K42-F234 HydrophobicContact CB-CB 4.17Å; K42-F234 HydrophobicContact CB-CD2 3.9Å; K42-F234 HydrophobicContact CB-CG 4.06Å; K42-F234 HydrophobicContact CD-CB 4.44Å; K42-F234 HydrophobicContact CD-CD1 4.24Å; K42-F234 HydrophobicContact CD-CG 4.24Å; K42-F234 HydrophobicContact CG-CB 4.31Å; K42-F234 HydrophobicContact CG-CD1 4.09Å; K42-F234 HydrophobicContact CG-CD2 3.87Å; K42-F234 HydrophobicContact CG-CE1 4.38Å; K42-F234 HydrophobicContact CG-CE2 4.17Å; K42-F234 HydrophobicContact CG-CG 3.83Å; K42-F234 HydrophobicContact CG-CZ 4.41Å |
| 43 | Q | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | -179.1 | -60.6 | -48.4 | -45.6 | 0 | 0 | 112.5 | E39 F40 T45 L46 I47 A235 D237 L240 L244 | E39-Q43 WeakPolarHBondContact O-CG 3.1Å; E39-Q43 PolarHBondContact O-N 3.25Å; E39-Q43 PolarHBondContact OE1-NE2 2.78Å; F40-Q43 PolarHBondContact O-N 3.13Å; Q43-T45 VanDerWaalsContact C-N 3.29Å; Q43-T45 PolarHBondContact O-N 2.99Å; Q43-L46 PolarHBondContact O-N 2.98Å; Q43-I47 WeakPolarHBondContact O-CG1 3.41Å; Q43-I47 PolarHBondContact O-N 2.79Å; Q43-A235 PolarHBondContact NE2-O 2.79Å; Q43-D237 VanDerWaalsContact CD-N 3.31Å; Q43-D237 HydrophobicContact CG-CB 4.21Å; Q43-D237 VanDerWaalsContact NE2-N 3.13Å; Q43-D237 VanDerWaalsContact OE1-N 3.13Å; Q43-L240 HydrophobicContact CG-CB 3.9Å; Q43-L240 HydrophobicContact CG-CD1 4.27Å; Q43-L244 HydrophobicContact CB-CD1 3.81Å |
| 44 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 173.9 | -71.7 | 167.4 | 0 | 0 | 0 | 110.6 | F40 K42 I47 E48 W83 I87 W90 I114 L118 S126 L244 | F40-I44 VanDerWaalsContact O-CB 3.3Å; F40-I44 WeakPolarHBondContact O-CB 3.36Å; F40-I44 WeakPolarHBondContact O-CD1 3.11Å; F40-I44 WeakPolarHBondContact O-CG1 3.09Å; F40-I44 PolarHBondContact O-N 3.14Å; K42-I44 PolarHBondContact O-N 3.07Å; I44-I47 PolarHBondContact O-N 2.74Å; I44-E48 VanDerWaalsContact O-CB 3.26Å; I44-E48 WeakPolarHBondContact O-CB 3.48Å; I44-E48 PolarHBondContact O-N 3.08Å; I44-W83 HydrophobicContact CG2-CZ2 4.37Å; I44-I87 HydrophobicContact CD1-CD1 4.35Å; I44-I87 HydrophobicContact CG1-CD1 4.22Å; I44-W90 HydrophobicContact CD1-CH2 4.41Å; I44-W90 HydrophobicContact CD1-CZ3 3.97Å; I44-I114 HydrophobicContact CD1-CG2 4.15Å; I44-L118 HydrophobicContact CB-CD2 4.37Å; I44-L118 HydrophobicContact CG2-CD2 4.05Å; I44-S126 VanDerWaalsContact CG2-CB 3.45Å; I44-S126 WeakPolarHBondContact CG2-OG 3.32Å; I44-L244 HydrophobicContact CG1-CD1 3.85Å; I44-L244 HydrophobicContact CG1-CD2 4.24Å |
| 45 | T | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 112 | A41 K42 Q43 L49 L118 N123 I185 Y232 F234 | A41-T45 WeakPolarHBondContact O-CB 3.31Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.92Å; K42-T45 WeakPolarHBondContact O-CB 3.22Å; K42-T45 PolarHBondContact O-N 3.36Å; K42-T45 VanDerWaalsContact O-N 3.15Å; Q43-T45 VanDerWaalsContact C-N 3.29Å; Q43-T45 PolarHBondContact O-N 2.99Å; T45-L49 VanDerWaalsContact O-CB 3.24Å; T45-L49 WeakPolarHBondContact O-CB 3.47Å; T45-L49 PolarHBondContact O-N 2.84Å; T45-L118 WeakPolarHBondContact OG1-CD2 3.42Å; T45-N123 HydrophobicContact CG2-CB 4.37Å; T45-N123 PolarHBondContact OG1-ND2 2.83Å; T45-I185 HydrophobicContact CG2-CD1 4.04Å; T45-Y232 HydrophobicContact CG2-CD1 3.99Å; T45-Y232 HydrophobicContact CG2-CD2 3.8Å; T45-Y232 HydrophobicContact CG2-CE1 3.84Å; T45-Y232 HydrophobicContact CG2-CE2 3.65Å; T45-Y232 HydrophobicContact CG2-CG 3.95Å; T45-F234 HydrophobicContact CG2-CE2 4.18Å |
| 46 | L | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 176.7 | -69.4 | 175.4 | 0 | 0 | 0 | 112.3 | K42 Q43 L49 S50 F234 V236 | K42-L46 WeakPolarHBondContact O-CG 3.3Å; K42-L46 PolarHBondContact O-N 3.02Å; Q43-L46 PolarHBondContact O-N 2.98Å; L46-L49 PolarHBondContact O-N 2.82Å; L46-S50 PolarHBondContact O-N 2.86Å; L46-F234 HydrophobicContact CD1-CB 3.95Å; L46-F234 HydrophobicContact CD2-CB 4.17Å; L46-F234 HydrophobicContact CD2-CD2 4.47Å; L46-F234 HydrophobicContact CG-CB 4.16Å; L46-F234 HydrophobicContact CG-CD2 4.4Å; L46-V236 HydrophobicContact CD1-CG2 3.94Å |
| 47 | I | 97.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 177.9 | -63.6 | 164.6 | 0 | 0 | 0 | 110.3 | Q43 I44 L49 S50 Y51 W83 N241 L244 | Q43-I47 WeakPolarHBondContact O-CG1 3.41Å; Q43-I47 PolarHBondContact O-N 2.79Å; I44-I47 PolarHBondContact O-N 2.74Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.84Å; I47-S50 WeakPolarHBondContact O-CB 3.46Å; I47-S50 PolarHBondContact O-N 3Å; I47-S50 VanDerWaalsContact O-N 3.15Å; I47-S50 PolarHBondContact O-OG 2.76Å; I47-Y51 HydrophobicContact CG2-CD2 4.2Å; I47-Y51 HydrophobicContact CG2-CE2 3.72Å; I47-Y51 WeakPolarHBondContact O-CD2 3.07Å; I47-Y51 PolarHBondContact O-N 2.93Å; I47-W83 HydrophobicContact CB-CH2 4Å; I47-W83 HydrophobicContact CB-CZ2 3.83Å; I47-W83 HydrophobicContact CD1-CH2 3.74Å; I47-W83 HydrophobicContact CD1-CZ2 4.31Å; I47-W83 HydrophobicContact CD1-CZ3 4.49Å; I47-W83 HydrophobicContact CG1-CH2 4.48Å; I47-W83 HydrophobicContact CG2-CD2 4.08Å; I47-W83 HydrophobicContact CG2-CE3 4.05Å; I47-W83 HydrophobicContact CG2-CH2 3.56Å; I47-W83 HydrophobicContact CG2-CZ2 3.59Å; I47-W83 HydrophobicContact CG2-CZ3 3.8Å; I47-N241 WeakPolarHBondContact CG1-ND2 3.46Å; I47-L244 HydrophobicContact CD1-CB 3.9Å; I47-L244 HydrophobicContact CD1-CD1 4.03Å |
| 48 | E | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 178.3 | -174.1 | 74.1 | -119 | 0 | 0 | 112 | I44 S50 Y51 F52 W83 Y125 S126 I185 | I44-E48 VanDerWaalsContact O-CB 3.26Å; I44-E48 WeakPolarHBondContact O-CB 3.48Å; I44-E48 PolarHBondContact O-N 3.08Å; E48-S50 PolarHBondContact O-N 3.28Å; E48-Y51 PolarHBondContact O-N 2.86Å; E48-Y51 VanDerWaalsContact O-N 3.11Å; E48-F52 WeakPolarHBondContact O-CB 3.34Å; E48-F52 PolarHBondContact O-N 2.94Å; E48-W83 PolarHBondContact OE2-NE1 2.84Å; E48-Y125 HydrophobicContact CG-CD1 4.09Å; E48-Y125 WeakPolarHBondContact OE1-CD1 3.3Å; E48-Y125 WeakPolarHBondContact OE1-CE1 3.33Å; E48-Y125 WeakPolarHBondContact OE2-CD1 3.5Å; E48-S126 PolarHBondContact OE2-OG 3.23Å; E48-I185 HydrophobicContact CB-CD1 4.19Å; E48-I185 HydrophobicContact CG-CD1 4.03Å; E48-I185 HydrophobicContact CG-CG2 4.1Å |
| 49 | L | 98.1 | Very high | 97.8 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58 | -37.8 | -179.6 | -173.5 | 70.6 | 0 | 0 | 0 | 111.4 | T45 L46 I47 F52 K53 I185 Y232 | T45-L49 VanDerWaalsContact O-CB 3.24Å; T45-L49 WeakPolarHBondContact O-CB 3.47Å; T45-L49 PolarHBondContact O-N 2.84Å; L46-L49 PolarHBondContact O-N 2.82Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.84Å; L49-F52 PolarHBondContact O-N 3.25Å; L49-K53 HydrophobicContact CD1-CG 4.36Å; L49-K53 HydrophobicContact CG-CD 4.22Å; L49-K53 HydrophobicContact CG-CG 4.34Å; L49-K53 WeakPolarHBondContact O-CB 3.39Å; L49-K53 WeakPolarHBondContact O-CG 3.24Å; L49-K53 PolarHBondContact O-N 3.04Å; L49-I185 HydrophobicContact CB-CD1 4.13Å; L49-I185 HydrophobicContact CD1-CD1 4.15Å; L49-I185 HydrophobicContact CD1-CG1 4.3Å; L49-Y232 HydrophobicContact CD1-CD2 4.34Å; L49-Y232 HydrophobicContact CD1-CE2 4.28Å; L49-Y232 HydrophobicContact CD2-CD2 3.92Å |
| 50 | S | 96.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 34 Ų | 34 | 49% | 0.49 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.5 | 77.2 | 0 | 0 | 0 | 0 | 112 | L46 I47 E48 A54 | L46-S50 PolarHBondContact O-N 2.86Å; I47-S50 WeakPolarHBondContact O-CB 3.46Å; I47-S50 PolarHBondContact O-N 3Å; I47-S50 VanDerWaalsContact O-N 3.15Å; I47-S50 PolarHBondContact O-OG 2.76Å; E48-S50 PolarHBondContact O-N 3.28Å; S50-A54 WeakPolarHBondContact O-CB 3.49Å; S50-A54 PolarHBondContact O-N 3.28Å |
| 51 | Y | 97.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 36 Ų | 36 | 31% | 0.314 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 175 | -68.7 | -60.7 | 0 | 0 | 0 | 111.7 | I47 E48 A54 I55 A79 W83 | I47-Y51 HydrophobicContact CG2-CD2 4.2Å; I47-Y51 HydrophobicContact CG2-CE2 3.72Å; I47-Y51 WeakPolarHBondContact O-CD2 3.07Å; I47-Y51 PolarHBondContact O-N 2.93Å; E48-Y51 PolarHBondContact O-N 2.86Å; E48-Y51 VanDerWaalsContact O-N 3.11Å; Y51-A54 PolarHBondContact O-N 3.39Å; Y51-I55 WeakPolarHBondContact O-CG1 3.4Å; Y51-A79 HydrophobicContact CD1-CB 4.09Å; Y51-A79 HydrophobicContact CE1-CB 4.33Å; Y51-W83 HydrophobicContact CD2-CB 3.92Å; Y51-W83 HydrophobicContact CD2-CD2 4.34Å; Y51-W83 AromaticContact CD2-CG 3.85Å; Y51-W83 HydrophobicContact CD2-CG 3.85Å; Y51-W83 HydrophobicContact CE2-CB 3.9Å; Y51-W83 HydrophobicContact CE2-CD2 4.02Å; Y51-W83 HydrophobicContact CE2-CE3 4.2Å; Y51-W83 AromaticContact CE2-CG 3.88Å; Y51-W83 HydrophobicContact CE2-CG 3.88Å |
| 52 | F | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | -178.1 | -175.5 | -124.9 | 0 | 0 | 0 | 112.3 | E48 L49 A54 I55 I185 P186 L188 I224 F227 Q228 | E48-F52 WeakPolarHBondContact O-CB 3.34Å; E48-F52 PolarHBondContact O-N 2.94Å; L49-F52 PolarHBondContact O-N 3.25Å; F52-A54 VanDerWaalsContact C-N 3.34Å; F52-I55 HydrophobicContact CD2-CD1 4.31Å; F52-I55 PolarHBondContact O-N 3.17Å; F52-I185 HydrophobicContact CD1-CG2 4.2Å; F52-I185 HydrophobicContact CG-CG2 4.27Å; F52-P186 HydrophobicContact CE1-CG 4.44Å; F52-P186 HydrophobicContact CE2-CG 4.29Å; F52-P186 HydrophobicContact CZ-CG 3.74Å; F52-L188 HydrophobicContact CE2-CD1 4.26Å; F52-I224 HydrophobicContact CE2-CG2 3.76Å; F52-I224 HydrophobicContact CZ-CG2 3.84Å; F52-F227 HydrophobicContact CE1-CB 3.93Å; F52-F227 HydrophobicContact CZ-CB 4.07Å; F52-Q228 HydrophobicContact CD1-CG 4.07Å; F52-Q228 HydrophobicContact CE1-CB 4.37Å; F52-Q228 HydrophobicContact CE1-CG 3.71Å; F52-Q228 HydrophobicContact CE2-CG 4.22Å; F52-Q228 HydrophobicContact CG-CG 4.48Å; F52-Q228 HydrophobicContact CZ-CG 3.78Å; F52-Q228 PolarHBondContact O-NE2 2.93Å |
| 53 | K | 98.1 | Very high | 97 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.4 | -29.7 | 175.6 | -75 | -171.3 | 176 | -173.6 | 0 | 113.3 | L49 I55 Q228 S230 | L49-K53 HydrophobicContact CD1-CG 4.36Å; L49-K53 HydrophobicContact CG-CD 4.22Å; L49-K53 HydrophobicContact CG-CG 4.34Å; L49-K53 WeakPolarHBondContact O-CB 3.39Å; L49-K53 WeakPolarHBondContact O-CG 3.24Å; L49-K53 PolarHBondContact O-N 3.04Å; K53-I55 PolarHBondContact O-N 3.04Å; K53-Q228 VanDerWaalsContact CE-O 3.22Å; K53-Q228 WeakPolarHBondContact CE-O 3.3Å; K53-Q228 WeakPolarHBondContact CG-O 3.35Å; K53-S230 WeakPolarHBondContact CE-O 3.36Å; K53-S230 PolarHBondContact NZ-O 3.4Å |
| 54 | A | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71 | -16.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S50 Y51 F52 H56 N76 | S50-A54 WeakPolarHBondContact O-CB 3.49Å; S50-A54 PolarHBondContact O-N 3.28Å; Y51-A54 PolarHBondContact O-N 3.39Å; F52-A54 VanDerWaalsContact C-N 3.34Å; A54-H56 PolarHBondContact O-N 2.93Å; A54-N76 HydrophobicContact CB-CB 4.47Å; A54-N76 VanDerWaalsContact O-CG 3.3Å; A54-N76 PolarHBondContact O-ND2 3.07Å |
| 55 | I | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -72 | 120.9 | -177.3 | -53.3 | 171.1 | 0 | 0 | 0 | 111.1 | Y51 F52 K53 E59 F60 N76 I77 L188 Q228 | Y51-I55 WeakPolarHBondContact O-CG1 3.4Å; F52-I55 HydrophobicContact CD2-CD1 4.31Å; F52-I55 PolarHBondContact O-N 3.17Å; K53-I55 PolarHBondContact O-N 3.04Å; I55-E59 HydrophobicContact CG2-CB 4.34Å; I55-F60 HydrophobicContact CB-CE2 4.17Å; I55-F60 HydrophobicContact CB-CZ 4.2Å; I55-F60 HydrophobicContact CD1-CZ 4.26Å; I55-F60 HydrophobicContact CG2-CD2 4.09Å; I55-F60 HydrophobicContact CG2-CE1 4.19Å; I55-F60 HydrophobicContact CG2-CE2 3.35Å; I55-F60 HydrophobicContact CG2-CZ 3.41Å; I55-F60 VanDerWaalsContact CG2-CZ 3.41Å; I55-N76 HydrophobicContact CB-CB 4.24Å; I55-N76 HydrophobicContact CG1-CB 3.82Å; I55-I77 HydrophobicContact CD1-CG1 4.39Å; I55-I77 HydrophobicContact CG2-CD1 4.23Å; I55-I77 HydrophobicContact CG2-CG1 3.51Å; I55-L188 HydrophobicContact CD1-CD2 3.89Å; I55-Q228 PolarHBondContact O-NE2 2.88Å | ||
| 56 | H | 97 | Very high | 96.3 | Very high | 115 Ų | 115 | 46.5 Ų | 46.5 | 53% | 0.532 | 24% | 0.238 | S | C | . | . | trans | -83.2 | 151.8 | 177.6 | -62.5 | -72.3 | 0 | 0 | 0 | 112.6 | A54 E58 E59 | A54-H56 PolarHBondContact O-N 2.93Å; H56-E58 WeakPolarHBondContact CB-OE2 3.44Å; H56-E58 PolarHBondContact O-N 3.35Å; H56-E59 HydrophobicContact CB-CG 4.27Å; H56-E59 IonicContact CD2-OE1 2.93Å; H56-E59 PolarHBondContact N-OE1 2.81Å; H56-E59 WeakPolarHBondContact O-CB 3.34Å; H56-E59 PolarHBondContact O-N 3.45Å; H56-E59 VanDerWaalsContact O-N 3.12Å | ||
| 57 | R | 97.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.1 | -39 | 176.3 | 164.9 | 162.3 | -145.3 | 115.2 | -3.9 | 112.2 | E59 F60 A61 N218 I221 D222 | R57-E59 PolarHBondContact O-N 2.9Å; R57-F60 PolarHBondContact O-N 3.35Å; R57-A61 PolarHBondContact O-N 2.85Å; R57-N218 VanDerWaalsContact NH2-CB 3.32Å; R57-N218 VanDerWaalsContact NH2-CG 3.31Å; R57-N218 PolarHBondContact NH2-O 3.14Å; R57-N218 PolarHBondContact NH2-OD1 3.37Å; R57-I221 HydrophobicContact CB-CG2 4.25Å; R57-I221 HydrophobicContact CG-CG2 3.92Å; R57-D222 IonicContact CZ-OD1 3.83Å; R57-D222 IonicContact NH1-OD1 3.93Å; R57-D222 PolarHBondContact NH1-OD1 3.12Å; R57-D222 IonicContact NH2-OD1 2.9Å; R57-D222 PolarHBondContact NH2-OD1 3.43Å |
| 58 | E | 96.1 | Very high | 95.4 | Very high | 126 Ų | 126 | 58.4 Ų | 58.4 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.2 | -31.6 | -177.3 | -64.5 | 66.4 | -141.3 | 0 | 0 | 111.6 | H56 A61 S62 | H56-E58 WeakPolarHBondContact CB-OE2 3.44Å; H56-E58 PolarHBondContact O-N 3.35Å; E58-A61 PolarHBondContact O-N 3.13Å; E58-S62 WeakPolarHBondContact O-CB 3.19Å; E58-S62 PolarHBondContact O-N 2.86Å |
| 59 | E | 97.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.2 | -61 | -177.3 | -121.2 | 0 | 0 | 110.9 | I55 H56 R57 S62 A74 P75 N76 I77 | I55-E59 HydrophobicContact CG2-CB 4.34Å; H56-E59 HydrophobicContact CB-CG 4.27Å; H56-E59 IonicContact CD2-OE1 2.93Å; H56-E59 PolarHBondContact N-OE1 2.81Å; H56-E59 WeakPolarHBondContact O-CB 3.34Å; H56-E59 PolarHBondContact O-N 3.45Å; H56-E59 VanDerWaalsContact O-N 3.12Å; R57-E59 PolarHBondContact O-N 2.9Å; E59-S62 PolarHBondContact O-N 3.48Å; E59-S62 PolarHBondContact O-OG 3.15Å; E59-A74 HydrophobicContact CB-CB 4.05Å; E59-A74 WeakPolarHBondContact OE2-CA 3.29Å; E59-P75 WeakPolarHBondContact OE2-CD 3.36Å; E59-N76 WeakPolarHBondContact OE1-CB 3.09Å; E59-N76 PolarHBondContact OE1-ND2 3.21Å; E59-N76 WeakPolarHBondContact OE2-CA 3.41Å; E59-N76 WeakPolarHBondContact OE2-CB 3.43Å; E59-N76 PolarHBondContact OE2-N 2.93Å; E59-I77 HydrophobicContact CB-CD1 3.74Å; E59-I77 HydrophobicContact CB-CG1 4.07Å; E59-I77 PolarHBondContact OE2-N 2.79Å; E59-I77 VanDerWaalsContact OE2-N 3.17Å |
| 60 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 173.4 | -64 | -64.6 | 0 | 0 | 0 | 111.8 | I55 R57 S62 L63 I77 L188 L192 L195 I221 I224 | I55-F60 HydrophobicContact CB-CE2 4.17Å; I55-F60 HydrophobicContact CB-CZ 4.2Å; I55-F60 HydrophobicContact CD1-CZ 4.26Å; I55-F60 HydrophobicContact CG2-CD2 4.09Å; I55-F60 HydrophobicContact CG2-CE1 4.19Å; I55-F60 HydrophobicContact CG2-CE2 3.35Å; I55-F60 HydrophobicContact CG2-CZ 3.41Å; I55-F60 VanDerWaalsContact CG2-CZ 3.41Å; R57-F60 PolarHBondContact O-N 3.35Å; F60-S62 PolarHBondContact O-N 2.85Å; F60-L63 WeakPolarHBondContact O-CD2 3.31Å; F60-L63 PolarHBondContact O-N 2.82Å; F60-I77 HydrophobicContact CD1-CD1 3.62Å; F60-I77 HydrophobicContact CD1-CG1 4.48Å; F60-I77 HydrophobicContact CE1-CD1 3.73Å; F60-I77 HydrophobicContact CE1-CG1 4.12Å; F60-I77 HydrophobicContact CG-CD1 4.24Å; F60-I77 HydrophobicContact CZ-CD1 4.45Å; F60-I77 HydrophobicContact CZ-CG1 4.5Å; F60-L188 HydrophobicContact CE1-CD1 3.8Å; F60-L188 HydrophobicContact CZ-CD1 3.91Å; F60-L192 HydrophobicContact CD1-CD2 3.9Å; F60-L192 HydrophobicContact CE1-CD2 3.88Å; F60-L195 HydrophobicContact CB-CD1 4.05Å; F60-L195 HydrophobicContact CD1-CD1 3.92Å; F60-L195 HydrophobicContact CG-CD1 4.38Å; F60-I221 HydrophobicContact CB-CD1 3.82Å; F60-I221 HydrophobicContact CB-CG1 3.77Å; F60-I221 HydrophobicContact CD2-CG2 4.29Å; F60-I221 HydrophobicContact CG-CG1 4.46Å; F60-I224 HydrophobicContact CD1-CD1 4.07Å; F60-I224 HydrophobicContact CD2-CD1 4.47Å; F60-I224 HydrophobicContact CE1-CD1 3.82Å; F60-I224 HydrophobicContact CE2-CD1 4.22Å; F60-I224 HydrophobicContact CE2-CG2 3.89Å; F60-I224 HydrophobicContact CG-CD1 4.39Å; F60-I224 HydrophobicContact CZ-CD1 3.89Å; F60-I224 HydrophobicContact CZ-CG2 3.82Å |
| 61 | A | 93.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -27.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R57 E58 L63 I221 | R57-A61 PolarHBondContact O-N 2.85Å; E58-A61 PolarHBondContact O-N 3.13Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 3.26Å; A61-I221 HydrophobicContact CB-CD1 4.29Å |
| 62 | S | 91.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 69.5 Ų | 69.5 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.5 | -30 | 178.2 | 82 | 0 | 0 | 0 | 0 | 113.4 | E58 E59 F60 K64 | E58-S62 WeakPolarHBondContact O-CB 3.19Å; E58-S62 PolarHBondContact O-N 2.86Å; E59-S62 PolarHBondContact O-N 3.48Å; E59-S62 PolarHBondContact O-OG 3.15Å; F60-S62 PolarHBondContact O-N 2.85Å; S62-K64 WeakPolarHBondContact O-CG 3.46Å; S62-K64 PolarHBondContact O-N 2.8Å; S62-K64 PolarHBondContact OG-N 2.81Å |
| 63 | L | 93.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 24.1 | -173 | -54.8 | 173.7 | 0 | 0 | 0 | 114.4 | F60 A61 W65 L195 N199 W213 | F60-L63 WeakPolarHBondContact O-CD2 3.31Å; F60-L63 PolarHBondContact O-N 2.82Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 3.26Å; L63-W65 VanDerWaalsContact CA-CZ3 3.49Å; L63-W65 HydrophobicContact CB-CH2 4.49Å; L63-W65 HydrophobicContact CB-CZ3 4.39Å; L63-W65 HydrophobicContact CD2-CH2 3.51Å; L63-W65 HydrophobicContact CD2-CZ3 3.78Å; L63-L195 HydrophobicContact CD2-CB 3.85Å; L63-N199 HydrophobicContact CD1-CB 3.53Å; L63-N199 WeakPolarHBondContact CD1-OD1 3.3Å; L63-W213 HydrophobicContact CD1-CZ2 3.88Å |
| 64 | K | 93.5 | Very high | 94 | Very high | 96 Ų | 96 | 66.8 Ų | 66.8 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | trans | -110.7 | 14.8 | -170.5 | -78.2 | 180 | 177.3 | -163.5 | 0 | 115.3 | S62 N66 G67 E69 K70 C73 | S62-K64 WeakPolarHBondContact O-CG 3.46Å; S62-K64 PolarHBondContact O-N 2.8Å; S62-K64 PolarHBondContact OG-N 2.81Å; K64-N66 VanDerWaalsContact C-N 3.28Å; K64-N66 PolarHBondContact O-N 3.24Å; K64-G67 PolarHBondContact O-N 3.4Å; K64-E69 IonicContact NZ-OE2 2.73Å; K64-E69 PolarHBondContact NZ-OE2 3.08Å; K64-K70 WeakPolarHBondContact O-CA 3.06Å; K64-K70 WeakPolarHBondContact O-CB 3.22Å; K64-C73 HydrophobicContact CB-CB 3.62Å; K64-C73 HydrophobicContact CD-CB 3.97Å; K64-C73 WeakPolarHBondContact CD-SG 3.44Å; K64-C73 HydrophobicContact CG-CB 4.48Å | ||
| 65 | W | 95.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.9 | -178.2 | 56.9 | 83.7 | 0 | 0 | 0 | 115.3 | L63 K70 A74 I77 L192 L195 | L63-W65 VanDerWaalsContact CA-CZ3 3.49Å; L63-W65 HydrophobicContact CB-CH2 4.49Å; L63-W65 HydrophobicContact CB-CZ3 4.39Å; L63-W65 HydrophobicContact CD2-CH2 3.51Å; L63-W65 HydrophobicContact CD2-CZ3 3.78Å; W65-K70 WeakPolarHBondContact O-CB 3.28Å; W65-K70 WeakPolarHBondContact O-CD 3.15Å; W65-A74 HydrophobicContact CB-CB 3.85Å; W65-I77 HydrophobicContact CB-CB 4.25Å; W65-I77 HydrophobicContact CB-CD1 4.35Å; W65-I77 HydrophobicContact CB-CG2 3.83Å; W65-I77 HydrophobicContact CE3-CD1 3.95Å; W65-I77 HydrophobicContact CG-CG2 4.22Å; W65-L192 HydrophobicContact CD2-CD2 3.95Å; W65-L192 HydrophobicContact CE3-CD2 4.06Å; W65-L192 HydrophobicContact CH2-CD2 3.93Å; W65-L192 HydrophobicContact CZ2-CB 3.86Å; W65-L192 HydrophobicContact CZ2-CD2 3.83Å; W65-L192 HydrophobicContact CZ2-CG 4.36Å; W65-L192 HydrophobicContact CZ3-CD2 4.02Å; W65-L195 HydrophobicContact CH2-CB 3.76Å; W65-L195 HydrophobicContact CH2-CD1 3.79Å; W65-L195 HydrophobicContact CH2-CG 4.44Å; W65-L195 HydrophobicContact CZ2-CB 4.49Å; W65-L195 HydrophobicContact CZ3-CD1 4.07Å |
| 66 | N | 90.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.7 | 177.3 | -73.7 | -20.7 | 0 | 0 | 0 | 113.4 | K64 S333 | K64-N66 VanDerWaalsContact C-N 3.28Å; K64-N66 PolarHBondContact O-N 3.24Å; N66-S333 PolarHBondContact ND2-O 2.93Å |
| 67 | G | 88.9 | Confident | 93.9 | Very high | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -90.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K64 E69 K70 | K64-G67 PolarHBondContact O-N 3.4Å; G67-E69 PolarHBondContact O-N 3.2Å; G67-K70 VanDerWaalsContact O-CB 3.27Å; G67-K70 WeakPolarHBondContact O-CB 3.5Å; G67-K70 VanDerWaalsContact O-CG 3.24Å; G67-K70 WeakPolarHBondContact O-CG 3.45Å; G67-K70 PolarHBondContact O-N 3.03Å |
| 68 | R | 89.1 | Confident | 93.7 | Very high | 257 Ų | 257 | 61 Ų | 61 | 97% | 0.97 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.2 | 172.6 | -72.3 | -174.5 | -91.2 | -170 | -5.9 | 112.9 | ||
| 69 | E | 90.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13.6 | 179.4 | -62 | 175 | 171.8 | 0 | 0 | 112.6 | K64 G67 H71 L72 C73 | K64-E69 IonicContact NZ-OE2 2.73Å; K64-E69 PolarHBondContact NZ-OE2 3.08Å; G67-E69 PolarHBondContact O-N 3.2Å; E69-H71 PolarHBondContact O-N 2.91Å; E69-H71 VanDerWaalsContact O-N 3.15Å; E69-L72 WeakPolarHBondContact O-CA 3.22Å; E69-L72 WeakPolarHBondContact O-CB 3.43Å; E69-L72 PolarHBondContact O-N 3.07Å; E69-C73 PolarHBondContact O-N 2.78Å |
| 70 | K | 93.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55 | -36.6 | -173.9 | 63.2 | -179.2 | -175.9 | 163.2 | 0 | 114.2 | K64 W65 G67 L72 C73 A74 V78 E251 | K64-K70 WeakPolarHBondContact O-CA 3.06Å; K64-K70 WeakPolarHBondContact O-CB 3.22Å; W65-K70 WeakPolarHBondContact O-CB 3.28Å; W65-K70 WeakPolarHBondContact O-CD 3.15Å; G67-K70 VanDerWaalsContact O-CB 3.27Å; G67-K70 WeakPolarHBondContact O-CB 3.5Å; G67-K70 VanDerWaalsContact O-CG 3.24Å; G67-K70 WeakPolarHBondContact O-CG 3.45Å; G67-K70 PolarHBondContact O-N 3.03Å; K70-L72 PolarHBondContact O-N 2.81Å; K70-C73 PolarHBondContact O-N 3.24Å; K70-A74 CarbonylContact O-C 3.47Å; K70-A74 VanDerWaalsContact O-C 3.24Å; K70-A74 WeakPolarHBondContact O-CA 3.35Å; K70-A74 PolarHBondContact O-N 3.48Å; K70-V78 HydrophobicContact CB-CG2 3.81Å; K70-V78 HydrophobicContact CD-CG2 3.95Å; K70-V78 HydrophobicContact CG-CG2 3.87Å; K70-E251 IonicContact NZ-OE1 3.83Å; K70-E251 PolarHBondContact NZ-OE1 2.82Å; K70-E251 IonicContact NZ-OE2 3.58Å; K70-E251 PolarHBondContact NZ-OE2 2.93Å |
| 71 | H | 92.1 | Very high | 93.5 | Very high | 109 Ų | 109 | 57 Ų | 57 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.6 | -18.3 | 178 | -60.9 | -77.3 | 0 | 0 | 0 | 113.5 | E69 | E69-H71 PolarHBondContact O-N 2.91Å; E69-H71 VanDerWaalsContact O-N 3.15Å |
| 72 | L | 92.9 | Very high | 93.6 | Very high | 147 Ų | 147 | 61.1 Ų | 61.1 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -94.6 | -39.6 | 175.7 | -61 | 174.5 | 0 | 0 | 0 | 111.3 | E69 K70 | E69-L72 WeakPolarHBondContact O-CA 3.22Å; E69-L72 WeakPolarHBondContact O-CB 3.43Å; E69-L72 PolarHBondContact O-N 3.07Å; K70-L72 PolarHBondContact O-N 2.81Å |
| 73 | C | 93.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -92.1 | -26.3 | -173.3 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | K64 E69 K70 | K64-C73 HydrophobicContact CB-CB 3.62Å; K64-C73 HydrophobicContact CD-CB 3.97Å; K64-C73 WeakPolarHBondContact CD-SG 3.44Å; K64-C73 HydrophobicContact CG-CB 4.48Å; E69-C73 PolarHBondContact O-N 2.78Å; K70-C73 PolarHBondContact O-N 3.24Å |
| 74 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -146.3 | 54.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E59 W65 K70 N76 I77 V78 | E59-A74 HydrophobicContact CB-CB 4.05Å; E59-A74 WeakPolarHBondContact OE2-CA 3.29Å; W65-A74 HydrophobicContact CB-CB 3.85Å; K70-A74 CarbonylContact O-C 3.47Å; K70-A74 VanDerWaalsContact O-C 3.24Å; K70-A74 WeakPolarHBondContact O-CA 3.35Å; K70-A74 PolarHBondContact O-N 3.48Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.28Å; A74-I77 HydrophobicContact CB-CB 4.18Å; A74-I77 HydrophobicContact CB-CD1 4.06Å; A74-I77 HydrophobicContact CB-CG1 4.33Å; A74-I77 PolarHBondContact O-N 3.15Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.16Å; A74-V78 PolarHBondContact O-N 2.73Å | ||
| 75 | P | 95.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | -174.3 | 25.5 | -35 | 0 | 0 | 0 | 113.6 | E59 V78 A79 | E59-P75 WeakPolarHBondContact OE2-CD 3.36Å; P75-V78 PolarHBondContact O-N 2.92Å; P75-A79 WeakPolarHBondContact O-CB 3.15Å; P75-A79 PolarHBondContact O-N 3.24Å |
| 76 | N | 96.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.2 | -33.7 | -176.8 | -61.4 | -59.1 | 0 | 0 | 0 | 111.7 | A54 I55 E59 A74 V78 A79 S80 | A54-N76 HydrophobicContact CB-CB 4.47Å; A54-N76 VanDerWaalsContact O-CG 3.3Å; A54-N76 PolarHBondContact O-ND2 3.07Å; I55-N76 HydrophobicContact CB-CB 4.24Å; I55-N76 HydrophobicContact CG1-CB 3.82Å; E59-N76 WeakPolarHBondContact OE1-CB 3.09Å; E59-N76 PolarHBondContact OE1-ND2 3.21Å; E59-N76 WeakPolarHBondContact OE2-CA 3.41Å; E59-N76 WeakPolarHBondContact OE2-CB 3.43Å; E59-N76 PolarHBondContact OE2-N 2.93Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 3.28Å; N76-V78 VanDerWaalsContact C-N 3.27Å; N76-V78 PolarHBondContact O-N 3.35Å; N76-A79 PolarHBondContact O-N 3.14Å; N76-S80 PolarHBondContact O-N 3.15Å |
| 77 | I | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 168.9 | -56.7 | 176.3 | 0 | 0 | 0 | 109.4 | I55 E59 F60 W65 A74 A79 S80 T81 L188 L192 | I55-I77 HydrophobicContact CD1-CG1 4.39Å; I55-I77 HydrophobicContact CG2-CD1 4.23Å; I55-I77 HydrophobicContact CG2-CG1 3.51Å; E59-I77 HydrophobicContact CB-CD1 3.74Å; E59-I77 HydrophobicContact CB-CG1 4.07Å; E59-I77 PolarHBondContact OE2-N 2.79Å; E59-I77 VanDerWaalsContact OE2-N 3.17Å; F60-I77 HydrophobicContact CD1-CD1 3.62Å; F60-I77 HydrophobicContact CD1-CG1 4.48Å; F60-I77 HydrophobicContact CE1-CD1 3.73Å; F60-I77 HydrophobicContact CE1-CG1 4.12Å; F60-I77 HydrophobicContact CG-CD1 4.24Å; F60-I77 HydrophobicContact CZ-CD1 4.45Å; F60-I77 HydrophobicContact CZ-CG1 4.5Å; W65-I77 HydrophobicContact CB-CB 4.25Å; W65-I77 HydrophobicContact CB-CD1 4.35Å; W65-I77 HydrophobicContact CB-CG2 3.83Å; W65-I77 HydrophobicContact CE3-CD1 3.95Å; W65-I77 HydrophobicContact CG-CG2 4.22Å; A74-I77 HydrophobicContact CB-CB 4.18Å; A74-I77 HydrophobicContact CB-CD1 4.06Å; A74-I77 HydrophobicContact CB-CG1 4.33Å; A74-I77 PolarHBondContact O-N 3.15Å; I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 3.45Å; I77-S80 PolarHBondContact O-N 2.94Å; I77-T81 WeakPolarHBondContact O-CB 3.21Å; I77-T81 PolarHBondContact O-N 3.01Å; I77-T81 PolarHBondContact O-OG1 3.43Å; I77-L188 HydrophobicContact CG2-CD2 4.33Å; I77-L192 HydrophobicContact CD1-CD2 4.48Å; I77-L192 HydrophobicContact CG2-CD1 4.06Å; I77-L192 HydrophobicContact CG2-CD2 4.48Å |
| 78 | V | 94.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 9% | 0.085 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | K70 A74 P75 N76 T81 R82 | K70-V78 HydrophobicContact CB-CG2 3.81Å; K70-V78 HydrophobicContact CD-CG2 3.95Å; K70-V78 HydrophobicContact CG-CG2 3.87Å; A74-V78 VanDerWaalsContact O-CG2 3.25Å; A74-V78 WeakPolarHBondContact O-CG2 3.16Å; A74-V78 PolarHBondContact O-N 2.73Å; P75-V78 PolarHBondContact O-N 2.92Å; N76-V78 VanDerWaalsContact C-N 3.27Å; N76-V78 PolarHBondContact O-N 3.35Å; V78-T81 WeakPolarHBondContact O-CB 3.36Å; V78-T81 PolarHBondContact O-N 2.89Å; V78-R82 WeakPolarHBondContact O-CB 3.25Å; V78-R82 PolarHBondContact O-N 2.94Å |
| 79 | A | 94.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y51 P75 N76 I77 T81 R82 W83 | Y51-A79 HydrophobicContact CD1-CB 4.09Å; Y51-A79 HydrophobicContact CE1-CB 4.33Å; P75-A79 WeakPolarHBondContact O-CB 3.15Å; P75-A79 PolarHBondContact O-N 3.24Å; N76-A79 PolarHBondContact O-N 3.14Å; I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 3.45Å; A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3.33Å; A79-R82 WeakPolarHBondContact O-CB 3.2Å; A79-R82 PolarHBondContact O-N 2.86Å; A79-R82 VanDerWaalsContact O-N 3.14Å; A79-W83 PolarHBondContact O-N 3.02Å |
| 80 | S | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 175 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | N76 I77 R82 W83 F84 Y125 | N76-S80 PolarHBondContact O-N 3.15Å; I77-S80 PolarHBondContact O-N 2.94Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3.41Å; S80-W83 WeakPolarHBondContact O-CB 3.49Å; S80-W83 PolarHBondContact O-N 2.83Å; S80-F84 PolarHBondContact O-N 3.31Å; S80-Y125 PolarHBondContact O-OH 3.46Å; S80-Y125 PolarHBondContact OG-OH 3.37Å |
| 81 | T | 95.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 172.9 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | I77 V78 A79 W83 F84 N85 F335 | I77-T81 WeakPolarHBondContact O-CB 3.21Å; I77-T81 PolarHBondContact O-N 3.01Å; I77-T81 PolarHBondContact O-OG1 3.43Å; V78-T81 WeakPolarHBondContact O-CB 3.36Å; V78-T81 PolarHBondContact O-N 2.89Å; A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3.33Å; T81-W83 VanDerWaalsContact C-N 3.31Å; T81-W83 PolarHBondContact O-N 2.88Å; T81-F84 WeakPolarHBondContact O-CB 3.38Å; T81-F84 PolarHBondContact O-N 2.94Å; T81-N85 PolarHBondContact O-N 3.23Å; T81-F335 VanDerWaalsContact CB-CE1 3.48Å; T81-F335 HydrophobicContact CG2-CD1 3.55Å; T81-F335 HydrophobicContact CG2-CE1 3.08Å; T81-F335 HydrophobicContact CG2-CZ 3.83Å; T81-F335 WeakPolarHBondContact OG1-CE1 3.44Å; T81-F335 WeakPolarHBondContact OG1-CZ 3.25Å |
| 82 | R | 94.3 | Very high | 95.8 | Very high | 129 Ų | 129 | 25.6 Ų | 25.6 | 49% | 0.487 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.9 | -174.8 | -175.2 | -180 | 171.4 | 0.3 | 110.7 | V78 A79 S80 N85 Q86 Y249 | V78-R82 WeakPolarHBondContact O-CB 3.25Å; V78-R82 PolarHBondContact O-N 2.94Å; A79-R82 WeakPolarHBondContact O-CB 3.2Å; A79-R82 PolarHBondContact O-N 2.86Å; A79-R82 VanDerWaalsContact O-N 3.14Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 3.41Å; R82-N85 PolarHBondContact O-N 3.17Å; R82-Q86 WeakPolarHBondContact O-CB 3.46Å; R82-Q86 PolarHBondContact O-N 3.41Å; R82-Y249 HydrophobicContact CG-CD1 3.67Å; R82-Y249 HydrophobicContact CG-CE1 4.04Å; R82-Y249 PolarHBondContact NE-O 3.13Å; R82-Y249 PolarHBondContact NH2-O 2.63Å; R82-Y249 WeakPolarHBondContact O-CD1 3.43Å |
| 83 | W | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.5 | 171.1 | -104.6 | 0 | 0 | 0 | 112.3 | I44 I47 E48 Y51 A79 S80 T81 N85 Q86 I87 L244 | I44-W83 HydrophobicContact CG2-CZ2 4.37Å; I47-W83 HydrophobicContact CB-CH2 4Å; I47-W83 HydrophobicContact CB-CZ2 3.83Å; I47-W83 HydrophobicContact CD1-CH2 3.74Å; I47-W83 HydrophobicContact CD1-CZ2 4.31Å; I47-W83 HydrophobicContact CD1-CZ3 4.49Å; I47-W83 HydrophobicContact CG1-CH2 4.48Å; I47-W83 HydrophobicContact CG2-CD2 4.08Å; I47-W83 HydrophobicContact CG2-CE3 4.05Å; I47-W83 HydrophobicContact CG2-CH2 3.56Å; I47-W83 HydrophobicContact CG2-CZ2 3.59Å; I47-W83 HydrophobicContact CG2-CZ3 3.8Å; E48-W83 PolarHBondContact OE2-NE1 2.84Å; Y51-W83 HydrophobicContact CD2-CB 3.92Å; Y51-W83 HydrophobicContact CD2-CD2 4.34Å; Y51-W83 AromaticContact CD2-CG 3.85Å; Y51-W83 HydrophobicContact CD2-CG 3.85Å; Y51-W83 HydrophobicContact CE2-CB 3.9Å; Y51-W83 HydrophobicContact CE2-CD2 4.02Å; Y51-W83 HydrophobicContact CE2-CE3 4.2Å; Y51-W83 AromaticContact CE2-CG 3.88Å; Y51-W83 HydrophobicContact CE2-CG 3.88Å; A79-W83 PolarHBondContact O-N 3.02Å; S80-W83 WeakPolarHBondContact O-CB 3.49Å; S80-W83 PolarHBondContact O-N 2.83Å; T81-W83 VanDerWaalsContact C-N 3.31Å; T81-W83 PolarHBondContact O-N 2.88Å; W83-N85 VanDerWaalsContact C-N 3.34Å; W83-N85 PolarHBondContact O-N 3.4Å; W83-Q86 HydrophobicContact CE3-CG 4.46Å; W83-Q86 WeakPolarHBondContact O-CB 3.05Å; W83-Q86 PolarHBondContact O-N 3.49Å; W83-Q86 VanDerWaalsContact O-N 3.14Å; W83-I87 HydrophobicContact CD2-CG1 4.3Å; W83-I87 HydrophobicContact CH2-CD1 3.75Å; W83-I87 HydrophobicContact CH2-CG1 4.29Å; W83-I87 HydrophobicContact CZ2-CD1 3.66Å; W83-I87 HydrophobicContact CZ2-CG1 3.86Å; W83-I87 HydrophobicContact CZ3-CD1 4.33Å; W83-I87 PolarHBondContact O-N 2.8Å; W83-L244 HydrophobicContact CH2-CB 4.23Å |
| 84 | F | 97.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 171.5 | -176.7 | -85.6 | 0 | 0 | 0 | 112 | S80 T81 Q86 I87 N88 Y125 M128 S129 Y187 | S80-F84 PolarHBondContact O-N 3.31Å; T81-F84 WeakPolarHBondContact O-CB 3.38Å; T81-F84 PolarHBondContact O-N 2.94Å; F84-Q86 VanDerWaalsContact C-N 3.33Å; F84-Q86 PolarHBondContact O-N 3.42Å; F84-I87 PolarHBondContact O-N 2.83Å; F84-N88 WeakPolarHBondContact O-CB 3.41Å; F84-N88 PolarHBondContact O-N 2.86Å; F84-N88 VanDerWaalsContact O-N 3.09Å; F84-Y125 HydrophobicContact CB-CE1 3.64Å; F84-Y125 WeakPolarHBondContact CB-OH 3.49Å; F84-Y125 AromaticContact CD2-CD1 3.97Å; F84-Y125 HydrophobicContact CD2-CD1 3.97Å; F84-Y125 HydrophobicContact CD2-CD2 4.38Å; F84-Y125 AromaticContact CD2-CE1 3.66Å; F84-Y125 HydrophobicContact CD2-CE1 3.66Å; F84-Y125 AromaticContact CD2-CE2 4Å; F84-Y125 HydrophobicContact CD2-CE2 4Å; F84-Y125 HydrophobicContact CD2-CG 4.4Å; F84-Y125 AromaticContact CD2-CZ 3.7Å; F84-Y125 WeakPolarHBondContact CE2-O 3.31Å; F84-Y125 HydrophobicContact CG-CE1 4.13Å; F84-M128 HydrophobicContact CE2-CB 4.26Å; F84-M128 HydrophobicContact CE2-CG 4.27Å; F84-M128 HydrophobicContact CZ-CG 4.25Å; F84-S129 VanDerWaalsContact CE2-CA 3.46Å; F84-S129 VanDerWaalsContact CZ-CA 3.47Å; F84-S129 PolarHBondContact O-OG 3.4Å; F84-Y187 HydrophobicContact CE2-CD2 4.31Å; F84-Y187 AromaticContact CE2-CE2 3.91Å; F84-Y187 HydrophobicContact CE2-CE2 3.91Å; F84-Y187 HydrophobicContact CZ-CE2 4.22Å |
| 85 | N | 95.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -33.9 | 178.8 | -69.2 | -23.5 | 0 | 0 | 0 | 112 | T81 R82 W83 N88 F89 Y249 | T81-N85 PolarHBondContact O-N 3.23Å; R82-N85 PolarHBondContact O-N 3.17Å; W83-N85 VanDerWaalsContact C-N 3.34Å; W83-N85 PolarHBondContact O-N 3.4Å; N85-N88 PolarHBondContact O-N 2.8Å; N85-F89 VanDerWaalsContact O-CD2 3.3Å; N85-F89 WeakPolarHBondContact O-CD2 3.45Å; N85-F89 PolarHBondContact O-N 3.49Å; N85-Y249 HydrophobicContact CB-CD1 3.89Å; N85-Y249 HydrophobicContact CB-CD2 4.43Å; N85-Y249 HydrophobicContact CB-CE1 3.39Å; N85-Y249 HydrophobicContact CB-CE2 3.98Å; N85-Y249 HydrophobicContact CB-CG 4.39Å; N85-Y249 VanDerWaalsContact CB-CZ 3.42Å; N85-Y249 PolarHBondContact ND2-OH 3.36Å; N85-Y249 VanDerWaalsContact ND2-OH 3.11Å |
| 86 | Q | 95.6 | Very high | 96 | Very high | 22 Ų | 22 | 20.6 Ų | 20.6 | 10% | 0.103 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.2 | 177.2 | 169.2 | -36.7 | 0 | 0 | 111.7 | R82 W83 F84 N88 F89 W90 L244 Q247 Y249 | R82-Q86 WeakPolarHBondContact O-CB 3.46Å; R82-Q86 PolarHBondContact O-N 3.41Å; W83-Q86 HydrophobicContact CE3-CG 4.46Å; W83-Q86 WeakPolarHBondContact O-CB 3.05Å; W83-Q86 PolarHBondContact O-N 3.49Å; W83-Q86 VanDerWaalsContact O-N 3.14Å; F84-Q86 VanDerWaalsContact C-N 3.33Å; F84-Q86 PolarHBondContact O-N 3.42Å; Q86-N88 VanDerWaalsContact C-N 3.31Å; Q86-N88 PolarHBondContact O-N 3.29Å; Q86-F89 PolarHBondContact O-N 3.08Å; Q86-W90 VanDerWaalsContact O-CB 3.24Å; Q86-W90 WeakPolarHBondContact O-CB 3.32Å; Q86-W90 PolarHBondContact O-N 2.85Å; Q86-L244 PolarHBondContact NE2-O 3.15Å; Q86-Q247 HydrophobicContact CG-CB 4.1Å; Q86-Q247 WeakPolarHBondContact CG-O 3.46Å; Q86-Q247 PolarHBondContact NE2-O 2.54Å; Q86-Q247 PolarHBondContact OE1-O 3.02Å; Q86-Y249 HydrophobicContact CB-CG 4.47Å |
| 87 | I | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.7 | -67.4 | -61 | 0 | 0 | 0 | 110.6 | I44 W83 F84 F89 W90 V91 S129 I130 | I44-I87 HydrophobicContact CD1-CD1 4.35Å; I44-I87 HydrophobicContact CG1-CD1 4.22Å; W83-I87 HydrophobicContact CD2-CG1 4.3Å; W83-I87 HydrophobicContact CH2-CD1 3.75Å; W83-I87 HydrophobicContact CH2-CG1 4.29Å; W83-I87 HydrophobicContact CZ2-CD1 3.66Å; W83-I87 HydrophobicContact CZ2-CG1 3.86Å; W83-I87 HydrophobicContact CZ3-CD1 4.33Å; W83-I87 PolarHBondContact O-N 2.8Å; F84-I87 PolarHBondContact O-N 2.83Å; I87-F89 PolarHBondContact O-N 2.8Å; I87-W90 HydrophobicContact CD1-CE3 4.05Å; I87-W90 HydrophobicContact CD1-CZ3 4.39Å; I87-W90 HydrophobicContact CG2-CE3 4.4Å; I87-W90 WeakPolarHBondContact O-CB 3.05Å; I87-W90 PolarHBondContact O-N 3.43Å; I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 3Å; I87-S129 WeakPolarHBondContact CB-OG 3.17Å; I87-S129 WeakPolarHBondContact CG2-OG 3.49Å; I87-I130 HydrophobicContact CG2-CG1 3.94Å |
| 88 | N | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | -179.9 | -173.1 | -56.2 | 0 | 0 | 0 | 111.8 | F84 N85 Q86 W90 V91 Q92 S129 S132 A133 F337 | F84-N88 WeakPolarHBondContact O-CB 3.41Å; F84-N88 PolarHBondContact O-N 2.86Å; F84-N88 VanDerWaalsContact O-N 3.09Å; N85-N88 PolarHBondContact O-N 2.8Å; Q86-N88 VanDerWaalsContact C-N 3.31Å; Q86-N88 PolarHBondContact O-N 3.29Å; N88-W90 PolarHBondContact O-N 3.49Å; N88-V91 PolarHBondContact O-N 3.45Å; N88-Q92 WeakPolarHBondContact O-CG 3.48Å; N88-Q92 PolarHBondContact O-N 2.99Å; N88-Q92 PolarHBondContact OD1-NE2 3.1Å; N88-S129 PolarHBondContact N-OG 2.88Å; N88-S129 PolarHBondContact ND2-O 2.96Å; N88-S132 PolarHBondContact ND2-OG 3.28Å; N88-A133 HydrophobicContact CB-CB 4.22Å; N88-A133 WeakPolarHBondContact ND2-CA 3.35Å; N88-A133 PolarHBondContact ND2-N 3.49Å; N88-A133 VanDerWaalsContact ND2-N 3.2Å; N88-A133 WeakPolarHBondContact O-CB 3.27Å; N88-A133 WeakPolarHBondContact OD1-CB 3.1Å; N88-F337 HydrophobicContact CB-CE2 4.07Å; N88-F337 VanDerWaalsContact CG-CE2 3.4Å; N88-F337 WeakPolarHBondContact OD1-CE2 3.33Å; N88-F337 WeakPolarHBondContact OD1-CZ 3.26Å |
| 89 | F | 95.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.066 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 176.9 | -86.2 | -69.5 | 0 | 0 | 0 | 113.3 | N85 Q86 I87 Q92 K93 Y249 Q254 L257 E258 F337 | N85-F89 VanDerWaalsContact O-CD2 3.3Å; N85-F89 WeakPolarHBondContact O-CD2 3.45Å; N85-F89 PolarHBondContact O-N 3.49Å; Q86-F89 PolarHBondContact O-N 3.08Å; I87-F89 PolarHBondContact O-N 2.8Å; F89-Q92 PolarHBondContact O-N 2.85Å; F89-K93 VanDerWaalsContact O-CB 3.27Å; F89-K93 WeakPolarHBondContact O-CB 3.44Å; F89-K93 PolarHBondContact O-N 2.73Å; F89-Y249 AromaticContact CD2-CD2 3.37Å; F89-Y249 HydrophobicContact CD2-CD2 3.37Å; F89-Y249 AromaticContact CD2-CE2 3.36Å; F89-Y249 HydrophobicContact CD2-CE2 3.36Å; F89-Y249 HydrophobicContact CD2-CG 4.46Å; F89-Y249 AromaticContact CE2-CD2 3.86Å; F89-Y249 HydrophobicContact CE2-CD2 3.86Å; F89-Y249 AromaticContact CE2-CE2 3.33Å; F89-Y249 HydrophobicContact CE2-CE2 3.33Å; F89-Y249 HydrophobicContact CG-CD2 4.2Å; F89-Y249 HydrophobicContact CZ-CE2 4.46Å; F89-Q254 HydrophobicContact CE2-CG 4.03Å; F89-Q254 HydrophobicContact CZ-CG 3.87Å; F89-L257 HydrophobicContact CD1-CB 4.14Å; F89-L257 HydrophobicContact CD1-CD1 4.39Å; F89-L257 HydrophobicContact CE1-CB 3.65Å; F89-L257 HydrophobicContact CE1-CD1 4.41Å; F89-L257 HydrophobicContact CZ-CB 4.23Å; F89-E258 HydrophobicContact CE1-CG 4.2Å; F89-E258 HydrophobicContact CZ-CG 3.93Å; F89-F337 HydrophobicContact CD2-CZ 4.14Å; F89-F337 HydrophobicContact CE1-CE1 4.47Å; F89-F337 HydrophobicContact CE1-CZ 4.35Å; F89-F337 HydrophobicContact CE2-CE1 4.24Å; F89-F337 HydrophobicContact CE2-CE2 4.45Å; F89-F337 AromaticContact CE2-CZ 3.51Å; F89-F337 HydrophobicContact CE2-CZ 3.51Å; F89-F337 AromaticContact CZ-CE1 3.88Å; F89-F337 HydrophobicContact CZ-CE1 3.88Å; F89-F337 AromaticContact CZ-CZ 3.62Å; F89-F337 HydrophobicContact CZ-CZ 3.62Å |
| 90 | W | 95.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.9 | 167.6 | 60.5 | 0 | 0 | 0 | 111.4 | I32 F40 I44 Q86 I87 N88 Q92 K93 E94 F111 I114 Y243 L244 Q247 | I32-W90 HydrophobicContact CD1-CZ2 3.99Å; F40-W90 AromaticContact CD1-CH2 3.86Å; F40-W90 HydrophobicContact CD1-CH2 3.86Å; F40-W90 HydrophobicContact CD1-CZ2 4.18Å; F40-W90 HydrophobicContact CE1-CH2 4.06Å; F40-W90 AromaticContact CE1-CZ2 3.89Å; F40-W90 HydrophobicContact CE1-CZ2 3.89Å; I44-W90 HydrophobicContact CD1-CH2 4.41Å; I44-W90 HydrophobicContact CD1-CZ3 3.97Å; Q86-W90 VanDerWaalsContact O-CB 3.24Å; Q86-W90 WeakPolarHBondContact O-CB 3.32Å; Q86-W90 PolarHBondContact O-N 2.85Å; I87-W90 HydrophobicContact CD1-CE3 4.05Å; I87-W90 HydrophobicContact CD1-CZ3 4.39Å; I87-W90 HydrophobicContact CG2-CE3 4.4Å; I87-W90 WeakPolarHBondContact O-CB 3.05Å; I87-W90 PolarHBondContact O-N 3.43Å; N88-W90 PolarHBondContact O-N 3.49Å; W90-Q92 PolarHBondContact O-N 2.92Å; W90-K93 PolarHBondContact O-N 3.27Å; W90-E94 PolarHBondContact O-N 3.4Å; W90-F111 HydrophobicContact CD2-CE1 4.4Å; W90-F111 HydrophobicContact CE3-CE1 4.05Å; W90-F111 AromaticContact CH2-CE1 3.64Å; W90-F111 HydrophobicContact CH2-CE1 3.64Å; W90-F111 HydrophobicContact CH2-CZ 4.41Å; W90-F111 AromaticContact CZ2-CE1 3.98Å; W90-F111 HydrophobicContact CZ2-CE1 3.98Å; W90-F111 HydrophobicContact CZ2-CZ 4.31Å; W90-F111 HydrophobicContact CZ3-CD1 4.45Å; W90-F111 AromaticContact CZ3-CE1 3.67Å; W90-F111 HydrophobicContact CZ3-CE1 3.67Å; W90-I114 HydrophobicContact CH2-CD1 4.37Å; W90-Y243 HydrophobicContact CZ2-CE1 4.2Å; W90-Y243 AromaticContact NE1-CE1 3.84Å; W90-Y243 AromaticContact NE1-CZ 3.91Å; W90-Y243 PolarHBondContact NE1-OH 3.15Å; W90-L244 HydrophobicContact CH2-CD2 4Å; W90-L244 HydrophobicContact CZ2-CD2 4.12Å; W90-L244 HydrophobicContact CZ3-CD2 4.22Å; W90-Q247 HydrophobicContact CB-CB 4.45Å; W90-Q247 HydrophobicContact CB-CG 4.31Å; W90-Q247 HydrophobicContact CG-CG 3.96Å |
| 91 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | I87 N88 K93 E94 I95 F111 I130 A133 L134 | I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 3Å; N88-V91 PolarHBondContact O-N 3.45Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 2.83Å; V91-E94 PolarHBondContact O-N 2.95Å; V91-I95 HydrophobicContact CG1-CD1 3.95Å; V91-I95 WeakPolarHBondContact O-CG1 2.98Å; V91-I95 PolarHBondContact O-N 3.46Å; V91-I95 VanDerWaalsContact O-N 3.14Å; V91-F111 HydrophobicContact CB-CD1 4.38Å; V91-F111 HydrophobicContact CB-CE1 4.29Å; V91-F111 HydrophobicContact CB-CZ 4.37Å; V91-F111 HydrophobicContact CG1-CB 4.35Å; V91-F111 HydrophobicContact CG1-CD1 4.18Å; V91-F111 HydrophobicContact CG1-CD2 3.87Å; V91-F111 HydrophobicContact CG1-CE1 4.47Å; V91-F111 HydrophobicContact CG1-CE2 4.19Å; V91-F111 HydrophobicContact CG1-CG 3.88Å; V91-F111 HydrophobicContact CG1-CZ 4.48Å; V91-F111 HydrophobicContact CG2-CD1 3.69Å; V91-F111 HydrophobicContact CG2-CE1 3.7Å; V91-F111 HydrophobicContact CG2-CG 4.24Å; V91-F111 HydrophobicContact CG2-CZ 4.26Å; V91-I130 HydrophobicContact CG2-CB 4.44Å; V91-I130 HydrophobicContact CG2-CG1 4.01Å; V91-I130 HydrophobicContact CG2-CG2 4.25Å; V91-A133 HydrophobicContact CB-CB 3.82Å; V91-A133 HydrophobicContact CG1-CB 3.84Å; V91-A133 HydrophobicContact CG2-CB 4.42Å; V91-L134 HydrophobicContact CG1-CD2 3.83Å |
| 92 | Q | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 179.2 | -66.7 | 177.5 | 45.8 | 0 | 0 | 111.5 | N88 F89 W90 I95 L96 A133 C138 I139 N261 | N88-Q92 WeakPolarHBondContact O-CG 3.48Å; N88-Q92 PolarHBondContact O-N 2.99Å; N88-Q92 PolarHBondContact OD1-NE2 3.1Å; F89-Q92 PolarHBondContact O-N 2.85Å; W90-Q92 PolarHBondContact O-N 2.92Å; Q92-I95 PolarHBondContact O-N 2.88Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 VanDerWaalsContact O-CG 3.26Å; Q92-L96 WeakPolarHBondContact O-CG 3.29Å; Q92-L96 PolarHBondContact O-N 2.98Å; Q92-A133 HydrophobicContact CG-CB 4.38Å; Q92-C138 PolarHBondContact OE1-SG 3.12Å; Q92-C138 VanDerWaalsContact OE1-SG 3.33Å; Q92-I139 HydrophobicContact CB-CD1 4.46Å; Q92-I139 HydrophobicContact CB-CG1 4.48Å; Q92-I139 HydrophobicContact CG-CG1 4.12Å; Q92-N261 PolarHBondContact OE1-ND2 2.92Å |
| 93 | K | 93.9 | Very high | 95.5 | Very high | 115 Ų | 115 | 32.8 Ų | 32.8 | 50% | 0.5 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.4 | -45.9 | -178.7 | -180 | -172.6 | 169.9 | -162.1 | 0 | 111.8 | F89 W90 V91 I95 L96 K97 | F89-K93 VanDerWaalsContact O-CB 3.27Å; F89-K93 WeakPolarHBondContact O-CB 3.44Å; F89-K93 PolarHBondContact O-N 2.73Å; W90-K93 PolarHBondContact O-N 3.27Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 2.83Å; K93-I95 PolarHBondContact O-N 3.27Å; K93-L96 PolarHBondContact O-N 2.75Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.42Å |
| 94 | E | 94.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -33.2 | -178.6 | -73.9 | -59 | 135.6 | 0 | 0 | 112.8 | I32 W90 V91 K97 Y98 F111 Y243 | I32-E94 HydrophobicContact CD1-CB 4.19Å; I32-E94 HydrophobicContact CD1-CG 3.93Å; W90-E94 PolarHBondContact O-N 3.4Å; V91-E94 PolarHBondContact O-N 2.95Å; E94-K97 IonicContact OE2-NZ 3.97Å; E94-Y98 VanDerWaalsContact O-CD2 3.3Å; E94-Y98 WeakPolarHBondContact O-CD2 3.37Å; E94-Y98 VanDerWaalsContact O-CE2 3.29Å; E94-Y98 WeakPolarHBondContact O-CE2 3.32Å; E94-F111 HydrophobicContact CB-CE2 3.87Å; E94-F111 HydrophobicContact CB-CZ 3.77Å; E94-F111 HydrophobicContact CG-CZ 4.31Å; E94-Y243 PolarHBondContact OE1-OH 3.46Å |
| 95 | I | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.2 | -45.6 | 173.5 | -64 | 169.9 | 0 | 0 | 0 | 110.7 | V91 Q92 K93 K97 R104 M107 L108 F111 L134 I139 L142 | V91-I95 HydrophobicContact CG1-CD1 3.95Å; V91-I95 WeakPolarHBondContact O-CG1 2.98Å; V91-I95 PolarHBondContact O-N 3.46Å; V91-I95 VanDerWaalsContact O-N 3.14Å; Q92-I95 PolarHBondContact O-N 2.88Å; K93-I95 PolarHBondContact O-N 3.27Å; I95-K97 PolarHBondContact O-N 3.32Å; I95-R104 WeakPolarHBondContact O-CD 3.3Å; I95-R104 WeakPolarHBondContact O-CG 3.23Å; I95-M107 HydrophobicContact CG1-CB 4.1Å; I95-L108 HydrophobicContact CD1-CD1 4.29Å; I95-F111 HydrophobicContact CD1-CD2 3.97Å; I95-F111 HydrophobicContact CD1-CE2 4.42Å; I95-F111 HydrophobicContact CG1-CD2 3.88Å; I95-F111 HydrophobicContact CG1-CE2 3.93Å; I95-L134 HydrophobicContact CD1-CD2 3.55Å; I95-I139 HydrophobicContact CB-CD1 4Å; I95-I139 HydrophobicContact CD1-CD1 4.4Å; I95-I139 HydrophobicContact CD1-CG2 4.14Å; I95-I139 HydrophobicContact CG2-CD1 3.94Å; I95-L142 HydrophobicContact CG2-CD1 4.34Å |
| 96 | L | 95.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74 | -13.4 | -176.9 | -66 | 172.6 | 0 | 0 | 0 | 113.7 | Q92 K93 Y98 C138 I139 L142 N261 T264 L268 | Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 VanDerWaalsContact O-CG 3.26Å; Q92-L96 WeakPolarHBondContact O-CG 3.29Å; Q92-L96 PolarHBondContact O-N 2.98Å; K93-L96 PolarHBondContact O-N 2.75Å; L96-Y98 PolarHBondContact O-N 3.28Å; L96-C138 HydrophobicContact CD1-CB 4.45Å; L96-I139 HydrophobicContact CD1-CD1 4.19Å; L96-I139 HydrophobicContact CD2-CD1 4Å; L96-I139 HydrophobicContact CG-CD1 3.77Å; L96-L142 HydrophobicContact CD2-CD1 4.14Å; L96-N261 HydrophobicContact CD1-CB 3.59Å; L96-T264 HydrophobicContact CB-CG2 4.2Å; L96-L268 HydrophobicContact CB-CD1 4.42Å; L96-L268 HydrophobicContact CD2-CD1 3.73Å |
| 97 | K | 92.5 | Very high | 95.8 | Very high | 102 Ų | 102 | 35.6 Ų | 35.6 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.6 | 176.5 | -177.4 | -177.5 | 176.3 | -168.3 | 0 | 113.3 | A30 K93 E94 I95 | A30-K97 PolarHBondContact O-NZ 3.17Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.42Å; E94-K97 IonicContact OE2-NZ 3.97Å; I95-K97 PolarHBondContact O-N 3.32Å |
| 98 | Y | 92.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | trans | -103.7 | 127.4 | -170.2 | -57 | -80 | 0 | 0 | 0 | 113.2 | E94 L96 K103 R104 M107 | E94-Y98 VanDerWaalsContact O-CD2 3.3Å; E94-Y98 WeakPolarHBondContact O-CD2 3.37Å; E94-Y98 VanDerWaalsContact O-CE2 3.29Å; E94-Y98 WeakPolarHBondContact O-CE2 3.32Å; L96-Y98 PolarHBondContact O-N 3.28Å; Y98-K103 HydrophobicContact CD1-CB 4.34Å; Y98-K103 HydrophobicContact CD1-CG 3.5Å; Y98-K103 VanDerWaalsContact CD1-CG 3.5Å; Y98-K103 HydrophobicContact CD2-CG 4.01Å; Y98-K103 HydrophobicContact CE1-CG 3.83Å; Y98-K103 HydrophobicContact CE2-CG 4.31Å; Y98-K103 HydrophobicContact CG-CB 4.22Å; Y98-K103 HydrophobicContact CG-CG 3.6Å; Y98-R104 WeakPolarHBondContact O-CD 3.26Å; Y98-R104 WeakPolarHBondContact O-CG 3.47Å; Y98-R104 PolarHBondContact O-NH1 2.89Å; Y98-M107 HydrophobicContact CD2-CG 3.8Å; Y98-M107 HydrophobicContact CE2-CE 3.84Å; Y98-M107 HydrophobicContact CE2-CG 3.59Å; Y98-M107 HydrophobicContact CE2-SD 3.93Å | ||
| 99 | S | 92 | Very high | 95.9 | Very high | 104 Ų | 104 | 36.1 Ų | 36.1 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -73.8 | -30.4 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | R104 | S99-R104 VanDerWaalsContact C-NH1 3.27Å; S99-R104 PolarHBondContact O-NH1 2.86Å |
| 100 | C | 93.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 36 Ų | 36 | 47% | 0.473 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75.8 | 126 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | S102 K103 R104 | C100-S102 VanDerWaalsContact C-N 3.33Å; C100-S102 PolarHBondContact O-N 3.44Å; C100-K103 HydrophobicContact CB-CB 4.34Å; C100-K103 PolarHBondContact O-N 2.71Å; C100-R104 WeakPolarHBondContact O-CG 3.45Å; C100-R104 PolarHBondContact O-N 2.82Å; C100-R104 VanDerWaalsContact O-N 3.09Å |
| 101 | V | 97 | Very high | 96.2 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 35% | 0.345 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | K103 R104 T105 H144 | V101-K103 PolarHBondContact O-N 2.84Å; V101-R104 PolarHBondContact O-N 3.22Å; V101-T105 PolarHBondContact O-N 3.02Å; V101-T105 PolarHBondContact O-OG1 3.47Å; V101-T105 VanDerWaalsContact O-OG1 3.11Å; V101-H144 HydrophobicContact CG1-CB 4.14Å |
| 102 | S | 96.7 | Very high | 96.3 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 63% | 0.629 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.4 | -44.7 | -178.3 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | C100 T105 E106 | C100-S102 VanDerWaalsContact C-N 3.33Å; C100-S102 PolarHBondContact O-N 3.44Å; S102-T105 PolarHBondContact O-N 3.36Å; S102-E106 PolarHBondContact O-N 3.43Å |
| 103 | K | 96.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 40 Ų | 40 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -36.5 | 177.3 | -169.8 | 54.2 | 166.9 | 174.3 | 0 | 112.3 | D31 T33 Y98 C100 V101 T105 E106 M107 | D31-K103 WeakPolarHBondContact OD1-CE 3.49Å; D31-K103 IonicContact OD1-NZ 2.84Å; D31-K103 PolarHBondContact OD1-NZ 2.89Å; D31-K103 WeakPolarHBondContact OD2-CE 3.49Å; D31-K103 IonicContact OD2-NZ 2.83Å; D31-K103 PolarHBondContact OD2-NZ 3.01Å; T33-K103 PolarHBondContact OG1-NZ 3.05Å; Y98-K103 HydrophobicContact CD1-CB 4.34Å; Y98-K103 HydrophobicContact CD1-CG 3.5Å; Y98-K103 VanDerWaalsContact CD1-CG 3.5Å; Y98-K103 HydrophobicContact CD2-CG 4.01Å; Y98-K103 HydrophobicContact CE1-CG 3.83Å; Y98-K103 HydrophobicContact CE2-CG 4.31Å; Y98-K103 HydrophobicContact CG-CB 4.22Å; Y98-K103 HydrophobicContact CG-CG 3.6Å; C100-K103 HydrophobicContact CB-CB 4.34Å; C100-K103 PolarHBondContact O-N 2.71Å; V101-K103 PolarHBondContact O-N 2.84Å; K103-T105 VanDerWaalsContact C-N 3.35Å; K103-E106 HydrophobicContact CD-CB 4.42Å; K103-E106 WeakPolarHBondContact CD-OE2 3.45Å; K103-E106 IonicContact NZ-OE1 3.16Å; K103-E106 PolarHBondContact NZ-OE1 3.43Å; K103-E106 IonicContact NZ-OE2 3.39Å; K103-E106 PolarHBondContact NZ-OE2 3.13Å; K103-E106 WeakPolarHBondContact O-CB 3.35Å; K103-E106 PolarHBondContact O-N 3.39Å; K103-M107 HydrophobicContact CD-CE 4.08Å; K103-M107 VanDerWaalsContact CE-CE 3.42Å; K103-M107 WeakPolarHBondContact O-CG 3.15Å; K103-M107 PolarHBondContact O-N 3.49Å |
| 104 | R | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 172.1 | -69.2 | -160.2 | -60.8 | -91.4 | 6.5 | 112.4 | I95 Y98 S99 C100 V101 E106 M107 L108 T145 E269 | I95-R104 WeakPolarHBondContact O-CD 3.3Å; I95-R104 WeakPolarHBondContact O-CG 3.23Å; Y98-R104 WeakPolarHBondContact O-CD 3.26Å; Y98-R104 WeakPolarHBondContact O-CG 3.47Å; Y98-R104 PolarHBondContact O-NH1 2.89Å; S99-R104 VanDerWaalsContact C-NH1 3.27Å; S99-R104 PolarHBondContact O-NH1 2.86Å; C100-R104 WeakPolarHBondContact O-CG 3.45Å; C100-R104 PolarHBondContact O-N 2.82Å; C100-R104 VanDerWaalsContact O-N 3.09Å; V101-R104 PolarHBondContact O-N 3.22Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-M107 PolarHBondContact O-N 3.34Å; R104-L108 WeakPolarHBondContact O-CB 2.9Å; R104-L108 PolarHBondContact O-N 3.23Å; R104-T145 HydrophobicContact CB-CG2 3.61Å; R104-T145 PolarHBondContact NE-OG1 3.16Å; R104-T145 PolarHBondContact NH2-OG1 3.14Å; R104-E269 IonicContact CZ-OE1 3.61Å; R104-E269 IonicContact NE-OE1 3Å; R104-E269 IonicContact NH2-OE1 3.35Å; R104-E269 PolarHBondContact NH2-OE1 2.85Å |
| 105 | T | 98.2 | Very high | 96.8 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.3 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | V101 S102 K103 L108 S109 T145 G148 | V101-T105 PolarHBondContact O-N 3.02Å; V101-T105 PolarHBondContact O-OG1 3.47Å; V101-T105 VanDerWaalsContact O-OG1 3.11Å; S102-T105 PolarHBondContact O-N 3.36Å; K103-T105 VanDerWaalsContact C-N 3.35Å; T105-L108 PolarHBondContact O-N 2.84Å; T105-S109 WeakPolarHBondContact O-CB 3.21Å; T105-S109 PolarHBondContact O-N 2.77Å; T105-T145 PolarHBondContact OG1-O 2.7Å; T105-G148 WeakPolarHBondContact CG2-O 3.46Å |
| 106 | E | 97.6 | Very high | 96.9 | Very high | 81 Ų | 81 | 38 Ų | 38 | 38% | 0.379 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 172.7 | -169.5 | -163.2 | 144.5 | 0 | 0 | 111.5 | T33 S102 K103 R104 L108 S109 F110 | T33-E106 VanDerWaalsContact CB-OE1 3.29Å; T33-E106 WeakPolarHBondContact CB-OE1 3.45Å; T33-E106 HydrophobicContact CG2-CG 4.36Å; T33-E106 PolarHBondContact OG1-OE1 3.3Å; S102-E106 PolarHBondContact O-N 3.43Å; K103-E106 HydrophobicContact CD-CB 4.42Å; K103-E106 WeakPolarHBondContact CD-OE2 3.45Å; K103-E106 IonicContact NZ-OE1 3.16Å; K103-E106 PolarHBondContact NZ-OE1 3.43Å; K103-E106 IonicContact NZ-OE2 3.39Å; K103-E106 PolarHBondContact NZ-OE2 3.13Å; K103-E106 WeakPolarHBondContact O-CB 3.35Å; K103-E106 PolarHBondContact O-N 3.39Å; R104-E106 VanDerWaalsContact C-N 3.32Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 2.7Å; E106-S109 WeakPolarHBondContact O-CB 3.32Å; E106-S109 PolarHBondContact O-N 2.89Å; E106-F110 WeakPolarHBondContact O-CB 3.39Å; E106-F110 PolarHBondContact O-N 3.06Å |
| 107 | M | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.9 | -69.9 | -61.3 | 137.7 | 0 | 0 | 112.2 | D31 I32 T33 I95 Y98 K103 R104 S109 F110 F111 | D31-M107 WeakPolarHBondContact OD1-CE 3.48Å; I32-M107 HydrophobicContact CD1-SD 4.29Å; I32-M107 HydrophobicContact CG1-SD 3.98Å; T33-M107 HydrophobicContact CG2-CE 3.23Å; T33-M107 HydrophobicContact CG2-SD 3.78Å; I95-M107 HydrophobicContact CG1-CB 4.1Å; Y98-M107 HydrophobicContact CD2-CG 3.8Å; Y98-M107 HydrophobicContact CE2-CE 3.84Å; Y98-M107 HydrophobicContact CE2-CG 3.59Å; Y98-M107 HydrophobicContact CE2-SD 3.93Å; K103-M107 HydrophobicContact CD-CE 4.08Å; K103-M107 VanDerWaalsContact CE-CE 3.42Å; K103-M107 WeakPolarHBondContact O-CG 3.15Å; K103-M107 PolarHBondContact O-N 3.49Å; R104-M107 PolarHBondContact O-N 3.34Å; M107-S109 PolarHBondContact O-N 2.74Å; M107-F110 WeakPolarHBondContact O-CB 3.15Å; M107-F110 PolarHBondContact O-N 3.11Å; M107-F111 WeakPolarHBondContact O-CD2 3.49Å; M107-F111 PolarHBondContact O-N 3.38Å |
| 108 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 176.6 | -178.6 | 64.1 | 0 | 0 | 0 | 111.4 | I95 R104 T105 E106 F110 F111 I112 L134 T145 W146 L149 | I95-L108 HydrophobicContact CD1-CD1 4.29Å; R104-L108 WeakPolarHBondContact O-CB 2.9Å; R104-L108 PolarHBondContact O-N 3.23Å; T105-L108 PolarHBondContact O-N 2.84Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 2.7Å; L108-F110 VanDerWaalsContact C-N 3.3Å; L108-F110 PolarHBondContact O-N 3.39Å; L108-F111 PolarHBondContact O-N 3.31Å; L108-I112 HydrophobicContact CG-CD1 4.2Å; L108-I112 WeakPolarHBondContact O-CD1 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.17Å; L108-I112 PolarHBondContact O-N 3.05Å; L108-I112 VanDerWaalsContact O-N 3.12Å; L108-L134 HydrophobicContact CD1-CD1 4.11Å; L108-L134 HydrophobicContact CD1-CD2 3.56Å; L108-L134 HydrophobicContact CD1-CG 4.36Å; L108-T145 HydrophobicContact CD2-CG2 4.22Å; L108-W146 HydrophobicContact CD1-CH2 3.79Å; L108-W146 HydrophobicContact CD1-CZ2 3.95Å; L108-W146 HydrophobicContact CD1-CZ3 4.14Å; L108-W146 HydrophobicContact CD2-CD2 3.73Å; L108-W146 HydrophobicContact CD2-CE3 3.65Å; L108-W146 HydrophobicContact CD2-CG 4.29Å; L108-W146 HydrophobicContact CD2-CH2 4.3Å; L108-W146 HydrophobicContact CD2-CZ2 4.36Å; L108-W146 HydrophobicContact CD2-CZ3 3.94Å; L108-W146 HydrophobicContact CG-CZ3 4.41Å; L108-L149 HydrophobicContact CD2-CD1 4.47Å; L108-L149 HydrophobicContact CG-CD1 4.45Å |
| 109 | S | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | T105 E106 M107 I112 K113 D153 | T105-S109 WeakPolarHBondContact O-CB 3.21Å; T105-S109 PolarHBondContact O-N 2.77Å; E106-S109 WeakPolarHBondContact O-CB 3.32Å; E106-S109 PolarHBondContact O-N 2.89Å; M107-S109 PolarHBondContact O-N 2.74Å; S109-I112 PolarHBondContact O-N 3.25Å; S109-K113 WeakPolarHBondContact O-CG 3.49Å; S109-K113 PolarHBondContact O-N 3.33Å; S109-K113 WeakPolarHBondContact OG-CE 3.47Å; S109-K113 PolarHBondContact OG-NZ 3.09Å; S109-D153 WeakPolarHBondContact CB-OD2 3.29Å; S109-D153 VanDerWaalsContact OG-CG 3.28Å; S109-D153 PolarHBondContact OG-OD2 3.32Å |
| 110 | F | 98.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 179.7 | -174.9 | -113.4 | 0 | 0 | 0 | 112.5 | I32 T33 V35 F40 E106 M107 L108 I112 K113 I114 | I32-F110 HydrophobicContact CB-CE1 4.44Å; I32-F110 HydrophobicContact CD1-CD1 4.22Å; I32-F110 HydrophobicContact CD1-CE1 3.97Å; I32-F110 HydrophobicContact CG1-CD1 4.4Å; I32-F110 HydrophobicContact CG1-CE1 4.05Å; T33-F110 HydrophobicContact CG2-CB 3.79Å; T33-F110 HydrophobicContact CG2-CD1 4.02Å; T33-F110 HydrophobicContact CG2-CD2 3.92Å; T33-F110 HydrophobicContact CG2-CE2 4.46Å; T33-F110 HydrophobicContact CG2-CG 3.66Å; V35-F110 VanDerWaalsContact O-CE2 3.3Å; V35-F110 WeakPolarHBondContact O-CE2 3.33Å; V35-F110 WeakPolarHBondContact O-CZ 3.12Å; F40-F110 AromaticContact CD2-CE1 3.94Å; F40-F110 HydrophobicContact CD2-CE1 3.94Å; F40-F110 AromaticContact CD2-CZ 3.53Å; F40-F110 HydrophobicContact CD2-CZ 3.53Å; F40-F110 AromaticContact CE2-CE1 3.98Å; F40-F110 HydrophobicContact CE2-CE1 3.98Å; F40-F110 AromaticContact CE2-CZ 3.72Å; F40-F110 HydrophobicContact CE2-CZ 3.72Å; E106-F110 WeakPolarHBondContact O-CB 3.39Å; E106-F110 PolarHBondContact O-N 3.06Å; M107-F110 WeakPolarHBondContact O-CB 3.15Å; M107-F110 PolarHBondContact O-N 3.11Å; L108-F110 VanDerWaalsContact C-N 3.3Å; L108-F110 PolarHBondContact O-N 3.39Å; F110-I112 VanDerWaalsContact C-N 3.34Å; F110-I112 PolarHBondContact O-N 3.06Å; F110-K113 WeakPolarHBondContact O-CB 3.4Å; F110-K113 PolarHBondContact O-N 3.23Å; F110-K113 VanDerWaalsContact O-N 3.11Å; F110-I114 HydrophobicContact CD1-CD1 3.76Å; F110-I114 HydrophobicContact CE1-CD1 3.49Å; F110-I114 VanDerWaalsContact CE1-CD1 3.49Å; F110-I114 HydrophobicContact CE1-CG1 4.36Å; F110-I114 HydrophobicContact CZ-CD1 4.03Å; F110-I114 WeakPolarHBondContact O-CG1 3.25Å; F110-I114 PolarHBondContact O-N 2.96Å |
| 111 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 177.3 | -73.6 | -61.8 | 0 | 0 | 0 | 113.2 | I32 W90 V91 E94 I95 M107 L108 K113 I114 S115 I130 | I32-F111 HydrophobicContact CD1-CE1 4.43Å; I32-F111 HydrophobicContact CD1-CE2 4.49Å; I32-F111 HydrophobicContact CD1-CZ 3.83Å; W90-F111 HydrophobicContact CD2-CE1 4.4Å; W90-F111 HydrophobicContact CE3-CE1 4.05Å; W90-F111 AromaticContact CH2-CE1 3.64Å; W90-F111 HydrophobicContact CH2-CE1 3.64Å; W90-F111 HydrophobicContact CH2-CZ 4.41Å; W90-F111 AromaticContact CZ2-CE1 3.98Å; W90-F111 HydrophobicContact CZ2-CE1 3.98Å; W90-F111 HydrophobicContact CZ2-CZ 4.31Å; W90-F111 HydrophobicContact CZ3-CD1 4.45Å; W90-F111 AromaticContact CZ3-CE1 3.67Å; W90-F111 HydrophobicContact CZ3-CE1 3.67Å; V91-F111 HydrophobicContact CB-CD1 4.38Å; V91-F111 HydrophobicContact CB-CE1 4.29Å; V91-F111 HydrophobicContact CB-CZ 4.37Å; V91-F111 HydrophobicContact CG1-CB 4.35Å; V91-F111 HydrophobicContact CG1-CD1 4.18Å; V91-F111 HydrophobicContact CG1-CD2 3.87Å; V91-F111 HydrophobicContact CG1-CE1 4.47Å; V91-F111 HydrophobicContact CG1-CE2 4.19Å; V91-F111 HydrophobicContact CG1-CG 3.88Å; V91-F111 HydrophobicContact CG1-CZ 4.48Å; V91-F111 HydrophobicContact CG2-CD1 3.69Å; V91-F111 HydrophobicContact CG2-CE1 3.7Å; V91-F111 HydrophobicContact CG2-CG 4.24Å; V91-F111 HydrophobicContact CG2-CZ 4.26Å; E94-F111 HydrophobicContact CB-CE2 3.87Å; E94-F111 HydrophobicContact CB-CZ 3.77Å; E94-F111 HydrophobicContact CG-CZ 4.31Å; I95-F111 HydrophobicContact CD1-CD2 3.97Å; I95-F111 HydrophobicContact CD1-CE2 4.42Å; I95-F111 HydrophobicContact CG1-CD2 3.88Å; I95-F111 HydrophobicContact CG1-CE2 3.93Å; M107-F111 WeakPolarHBondContact O-CD2 3.49Å; M107-F111 PolarHBondContact O-N 3.38Å; L108-F111 PolarHBondContact O-N 3.31Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.45Å; F111-I114 HydrophobicContact CD1-CD1 3.96Å; F111-I114 HydrophobicContact CE1-CD1 4.27Å; F111-I114 PolarHBondContact O-N 3.17Å; F111-S115 WeakPolarHBondContact O-CB 3.31Å; F111-S115 PolarHBondContact O-N 3.07Å; F111-I130 HydrophobicContact CB-CG2 3.97Å |
| 112 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 171 | -68.5 | 161.4 | 0 | 0 | 0 | 110.6 | L108 S109 F110 S115 K116 L134 L149 A156 Y157 L160 | L108-I112 HydrophobicContact CG-CD1 4.2Å; L108-I112 WeakPolarHBondContact O-CD1 3.38Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.17Å; L108-I112 PolarHBondContact O-N 3.05Å; L108-I112 VanDerWaalsContact O-N 3.12Å; S109-I112 PolarHBondContact O-N 3.25Å; F110-I112 VanDerWaalsContact C-N 3.34Å; F110-I112 PolarHBondContact O-N 3.06Å; I112-S115 PolarHBondContact O-N 3.44Å; I112-K116 WeakPolarHBondContact O-CB 3.5Å; I112-K116 PolarHBondContact O-N 3.4Å; I112-L134 HydrophobicContact CG1-CD1 3.96Å; I112-L149 HydrophobicContact CD1-CD1 4.04Å; I112-L149 HydrophobicContact CD1-CD2 3.6Å; I112-L149 HydrophobicContact CD1-CG 4.46Å; I112-A156 HydrophobicContact CG2-CB 3.94Å; I112-Y157 HydrophobicContact CD1-CD2 4.3Å; I112-Y157 HydrophobicContact CD1-CG 4.34Å; I112-Y157 HydrophobicContact CG1-CD2 4.11Å; I112-L160 HydrophobicContact CG2-CD1 4.2Å |
| 113 | K | 98.7 | Very high | 98.2 | Very high | 87 Ų | 87 | 25.1 Ų | 25.1 | 38% | 0.378 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.4 | -69.8 | 165.5 | -178.6 | 159.2 | 0 | 112.4 | S109 F110 F111 K116 K117 D153 | S109-K113 WeakPolarHBondContact O-CG 3.49Å; S109-K113 PolarHBondContact O-N 3.33Å; S109-K113 WeakPolarHBondContact OG-CE 3.47Å; S109-K113 PolarHBondContact OG-NZ 3.09Å; F110-K113 WeakPolarHBondContact O-CB 3.4Å; F110-K113 PolarHBondContact O-N 3.23Å; F110-K113 VanDerWaalsContact O-N 3.11Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.45Å; K113-K116 PolarHBondContact O-N 2.89Å; K113-K117 WeakPolarHBondContact O-CG 3.43Å; K113-K117 PolarHBondContact O-N 2.82Å; K113-D153 WeakPolarHBondContact CE-OD1 3.47Å; K113-D153 IonicContact NZ-OD2 2.67Å |
| 114 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 172.8 | -64.7 | 171.2 | 0 | 0 | 0 | 109.7 | F40 A41 I44 W90 F110 F111 K116 K117 L118 I130 | F40-I114 HydrophobicContact CB-CD1 3.87Å; F40-I114 HydrophobicContact CB-CG1 4.16Å; F40-I114 HydrophobicContact CD2-CD1 4.46Å; F40-I114 HydrophobicContact CG-CD1 4.21Å; A41-I114 HydrophobicContact CB-CG2 4.32Å; I44-I114 HydrophobicContact CD1-CG2 4.15Å; W90-I114 HydrophobicContact CH2-CD1 4.37Å; F110-I114 HydrophobicContact CD1-CD1 3.76Å; F110-I114 HydrophobicContact CE1-CD1 3.49Å; F110-I114 VanDerWaalsContact CE1-CD1 3.49Å; F110-I114 HydrophobicContact CE1-CG1 4.36Å; F110-I114 HydrophobicContact CZ-CD1 4.03Å; F110-I114 WeakPolarHBondContact O-CG1 3.25Å; F110-I114 PolarHBondContact O-N 2.96Å; F111-I114 HydrophobicContact CD1-CD1 3.96Å; F111-I114 HydrophobicContact CE1-CD1 4.27Å; F111-I114 PolarHBondContact O-N 3.17Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.01Å; I114-K117 PolarHBondContact O-N 3.47Å; I114-K117 VanDerWaalsContact O-N 3.09Å; I114-L118 HydrophobicContact CG2-CD1 3.91Å; I114-L118 HydrophobicContact CG2-CG 4.29Å; I114-L118 WeakPolarHBondContact O-CG 3.38Å; I114-L118 PolarHBondContact O-N 3.42Å; I114-I130 HydrophobicContact CB-CD1 4.07Å; I114-I130 HydrophobicContact CG2-CD1 3.51Å |
| 115 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | F111 I112 L118 V119 I131 | F111-S115 WeakPolarHBondContact O-CB 3.31Å; F111-S115 PolarHBondContact O-N 3.07Å; I112-S115 PolarHBondContact O-N 3.44Å; S115-L118 PolarHBondContact O-N 2.96Å; S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.2Å; S115-V119 VanDerWaalsContact O-N 3.1Å; S115-I131 WeakPolarHBondContact OG-CG1 3.48Å |
| 116 | K | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 22.9 Ų | 22.9 | 35% | 0.352 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -61 | -46.7 | 173.5 | -169.7 | -167 | 173.5 | -145 | 0 | 111.5 | I112 K113 I114 L118 V119 E120 L160 | I112-K116 WeakPolarHBondContact O-CB 3.5Å; I112-K116 PolarHBondContact O-N 3.4Å; K113-K116 PolarHBondContact O-N 2.89Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.01Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.97Å; K116-V119 PolarHBondContact O-N 3.2Å; K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 2.85Å; K116-E120 PolarHBondContact NZ-OE1 2.86Å; K116-E120 VanDerWaalsContact NZ-OE1 3.16Å; K116-E120 WeakPolarHBondContact O-CG 3.23Å; K116-E120 PolarHBondContact O-N 3.09Å; K116-L160 HydrophobicContact CB-CD1 4.49Å |
| 117 | K | 98.7 | Very high | 98.4 | Very high | 50 Ų | 50 | 19 Ų | 19 | 22% | 0.217 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 177.6 | -73.5 | -76.4 | 166.9 | -172.7 | 0 | 112.6 | E38 A41 K113 I114 V119 E120 F121 | E38-K117 HydrophobicContact CB-CD 4.05Å; E38-K117 HydrophobicContact CB-CG 4.35Å; E38-K117 HydrophobicContact CG-CD 4.07Å; E38-K117 IonicContact OE2-NZ 3.11Å; E38-K117 PolarHBondContact OE2-NZ 3.36Å; E38-K117 VanDerWaalsContact OE2-NZ 3.12Å; A41-K117 HydrophobicContact CB-CB 3.59Å; K113-K117 WeakPolarHBondContact O-CG 3.43Å; K113-K117 PolarHBondContact O-N 2.82Å; I114-K117 PolarHBondContact O-N 3.47Å; I114-K117 VanDerWaalsContact O-N 3.09Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 2.79Å; K117-E120 VanDerWaalsContact CD-OE2 3.29Å; K117-E120 WeakPolarHBondContact CD-OE2 3.42Å; K117-E120 VanDerWaalsContact CE-OE2 3.26Å; K117-E120 WeakPolarHBondContact CE-OE2 3.28Å; K117-E120 IonicContact NZ-OE2 3.52Å; K117-E120 PolarHBondContact NZ-OE2 3.43Å; K117-E120 WeakPolarHBondContact O-CB 3.16Å; K117-E120 PolarHBondContact O-N 3.33Å; K117-F121 WeakPolarHBondContact O-CD2 3.31Å; K117-F121 VanDerWaalsContact O-CG 3.27Å; K117-F121 WeakPolarHBondContact O-CG 3.44Å; K117-F121 PolarHBondContact O-N 2.96Å |
| 118 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 173.9 | -70.8 | 168.1 | 0 | 0 | 0 | 112 | A41 I44 T45 I114 S115 K116 F121 N122 N123 A127 I130 | A41-L118 HydrophobicContact CB-CD2 3.97Å; A41-L118 HydrophobicContact CB-CG 3.97Å; I44-L118 HydrophobicContact CB-CD2 4.37Å; I44-L118 HydrophobicContact CG2-CD2 4.05Å; T45-L118 WeakPolarHBondContact OG1-CD2 3.42Å; I114-L118 HydrophobicContact CG2-CD1 3.91Å; I114-L118 HydrophobicContact CG2-CG 4.29Å; I114-L118 WeakPolarHBondContact O-CG 3.38Å; I114-L118 PolarHBondContact O-N 3.42Å; S115-L118 PolarHBondContact O-N 2.96Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 2.97Å; L118-F121 CarbonylContact O-C 3.55Å; L118-F121 PolarHBondContact O-N 2.98Å; L118-N122 PolarHBondContact O-N 2.68Å; L118-N123 HydrophobicContact CB-CB 4.47Å; L118-N123 HydrophobicContact CD2-CB 4.19Å; L118-N123 WeakPolarHBondContact O-CA 3.43Å; L118-N123 PolarHBondContact O-N 3.37Å; L118-A127 HydrophobicContact CB-CB 3.85Å; L118-I130 HydrophobicContact CD1-CD1 3.68Å |
| 119 | V | 98.4 | Very high | 98.5 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 9% | 0.091 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | S115 K116 K117 F121 N122 L124 A127 L160 L163 F164 | S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.2Å; S115-V119 VanDerWaalsContact O-N 3.1Å; K116-V119 PolarHBondContact O-N 3.2Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 2.79Å; V119-F121 PolarHBondContact O-N 3.2Å; V119-N122 PolarHBondContact O-N 3.36Å; V119-L124 HydrophobicContact CG1-CD2 4.48Å; V119-L124 HydrophobicContact CG2-CD2 4.17Å; V119-A127 HydrophobicContact CG2-CB 3.84Å; V119-L160 HydrophobicContact CG2-CD2 3.76Å; V119-L163 HydrophobicContact CG1-CD2 3.83Å; V119-L163 HydrophobicContact CG2-CD2 3.95Å; V119-F164 HydrophobicContact CG2-CE2 4.02Å; V119-F164 HydrophobicContact CG2-CZ 4.14Å |
| 120 | E | 97.9 | Very high | 98.5 | Very high | 65 Ų | 65 | 19 Ų | 19 | 30% | 0.304 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -59.5 | -30.6 | 172.7 | -68.9 | 170.5 | -160.6 | 0 | 0 | 111.9 | K116 K117 N122 | K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 2.85Å; K116-E120 PolarHBondContact NZ-OE1 2.86Å; K116-E120 VanDerWaalsContact NZ-OE1 3.16Å; K116-E120 WeakPolarHBondContact O-CG 3.23Å; K116-E120 PolarHBondContact O-N 3.09Å; K117-E120 VanDerWaalsContact CD-OE2 3.29Å; K117-E120 WeakPolarHBondContact CD-OE2 3.42Å; K117-E120 VanDerWaalsContact CE-OE2 3.26Å; K117-E120 WeakPolarHBondContact CE-OE2 3.28Å; K117-E120 IonicContact NZ-OE2 3.52Å; K117-E120 PolarHBondContact NZ-OE2 3.43Å; K117-E120 WeakPolarHBondContact O-CB 3.16Å; K117-E120 PolarHBondContact O-N 3.33Å; E120-N122 VanDerWaalsContact C-N 3.32Å |
| 121 | F | 98.3 | Very high | 98.5 | Very high | 32 Ų | 32 | 18.3 Ų | 18.3 | 14% | 0.14 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10 | 174.2 | -57.4 | -27.2 | 0 | 0 | 0 | 114 | E38 A41 K42 K117 L118 V119 N123 Y232 F234 | E38-F121 HydrophobicContact CG-CE2 4.49Å; E38-F121 HydrophobicContact CG-CZ 3.9Å; A41-F121 HydrophobicContact CB-CD2 4.06Å; A41-F121 HydrophobicContact CB-CE2 3.72Å; K42-F121 HydrophobicContact CG-CE2 3.75Å; K42-F121 HydrophobicContact CG-CZ 3.95Å; K117-F121 WeakPolarHBondContact O-CD2 3.31Å; K117-F121 VanDerWaalsContact O-CG 3.27Å; K117-F121 WeakPolarHBondContact O-CG 3.44Å; K117-F121 PolarHBondContact O-N 2.96Å; L118-F121 CarbonylContact O-C 3.55Å; L118-F121 PolarHBondContact O-N 2.98Å; V119-F121 PolarHBondContact O-N 3.2Å; F121-N123 PolarHBondContact O-N 3.21Å; F121-N123 VanDerWaalsContact O-N 3.1Å; F121-Y232 HydrophobicContact CB-CE1 4.26Å; F121-Y232 VanDerWaalsContact O-CE1 3.26Å; F121-Y232 WeakPolarHBondContact O-CE1 3.47Å; F121-Y232 PolarHBondContact O-OH 3.43Å; F121-F234 AromaticContact CD1-CZ 3.94Å; F121-F234 HydrophobicContact CD1-CZ 3.94Å; F121-F234 HydrophobicContact CD2-CE2 4.12Å; F121-F234 HydrophobicContact CD2-CZ 4.12Å; F121-F234 HydrophobicContact CE1-CZ 4.1Å; F121-F234 HydrophobicContact CE2-CE2 4.39Å; F121-F234 HydrophobicContact CE2-CZ 4.27Å; F121-F234 HydrophobicContact CG-CE2 4.29Å; F121-F234 AromaticContact CG-CZ 3.95Å; F121-F234 HydrophobicContact CG-CZ 3.95Å; F121-F234 HydrophobicContact CZ-CZ 4.26Å |
| 122 | N | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 19.1 Ų | 19.1 | 19% | 0.193 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 24.5 | -174.8 | -60.3 | -33.1 | 0 | 0 | 0 | 114.2 | L118 V119 E120 L124 I180 P183 G184 I185 | L118-N122 PolarHBondContact O-N 2.68Å; V119-N122 PolarHBondContact O-N 3.36Å; E120-N122 VanDerWaalsContact C-N 3.32Å; N122-L124 PolarHBondContact O-N 3.03Å; N122-I180 HydrophobicContact CB-CD1 3.68Å; N122-P183 WeakPolarHBondContact CB-O 3.37Å; N122-P183 PolarHBondContact ND2-O 3.16Å; N122-P183 VanDerWaalsContact ND2-O 3.07Å; N122-G184 CarbonylContact O-C 3.58Å; N122-G184 WeakPolarHBondContact O-CA 3.38Å; N122-I185 PolarHBondContact O-N 2.68Å |
| 123 | N | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 81.4 | 172.7 | -178.7 | -3.8 | 0 | 0 | 0 | 109.5 | T45 L118 F121 Y125 S126 A127 I185 | T45-N123 HydrophobicContact CG2-CB 4.37Å; T45-N123 PolarHBondContact OG1-ND2 2.83Å; L118-N123 HydrophobicContact CB-CB 4.47Å; L118-N123 HydrophobicContact CD2-CB 4.19Å; L118-N123 WeakPolarHBondContact O-CA 3.43Å; L118-N123 PolarHBondContact O-N 3.37Å; F121-N123 PolarHBondContact O-N 3.21Å; F121-N123 VanDerWaalsContact O-N 3.1Å; N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact OD1-N 2.71Å; N123-S126 PolarHBondContact ND2-OG 3.42Å; N123-S126 PolarHBondContact OD1-N 3.35Å; N123-S126 PolarHBondContact OD1-OG 2.97Å; N123-A127 VanDerWaalsContact O-CB 3.28Å; N123-A127 WeakPolarHBondContact O-CB 3.29Å; N123-A127 PolarHBondContact O-N 3.34Å; N123-I185 HydrophobicContact CB-CB 4.42Å |
| 124 | L | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.4 | -24.1 | 177.8 | -65.6 | -160.6 | 0 | 0 | 0 | 112.7 | V119 N122 M128 L163 F164 M177 I185 | V119-L124 HydrophobicContact CG1-CD2 4.48Å; V119-L124 HydrophobicContact CG2-CD2 4.17Å; N122-L124 PolarHBondContact O-N 3.03Å; L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 PolarHBondContact O-N 3Å; L124-L163 HydrophobicContact CD2-CD2 4.26Å; L124-F164 HydrophobicContact CB-CE1 4.27Å; L124-F164 HydrophobicContact CB-CZ 4.49Å; L124-F164 HydrophobicContact CD2-CE1 4.42Å; L124-F164 HydrophobicContact CD2-CZ 4.03Å; L124-M177 HydrophobicContact CB-SD 4.42Å; L124-M177 HydrophobicContact CD1-CG 3.75Å; L124-M177 HydrophobicContact CD1-SD 3.48Å; L124-M177 WeakPolarHBondContact CD1-SD 3.26Å; L124-M177 HydrophobicContact CG-SD 3.83Å; L124-I185 PolarHBondContact N-O 2.9Å |
| 125 | Y | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.9 | -56.9 | -178.4 | -167.3 | -100.1 | 0 | 0 | 0 | 111.9 | E48 S80 F84 N123 M128 S129 I185 P186 Y187 L188 | E48-Y125 HydrophobicContact CG-CD1 4.09Å; E48-Y125 WeakPolarHBondContact OE1-CD1 3.3Å; E48-Y125 WeakPolarHBondContact OE1-CE1 3.33Å; E48-Y125 WeakPolarHBondContact OE2-CD1 3.5Å; S80-Y125 PolarHBondContact O-OH 3.46Å; S80-Y125 PolarHBondContact OG-OH 3.37Å; F84-Y125 HydrophobicContact CB-CE1 3.64Å; F84-Y125 WeakPolarHBondContact CB-OH 3.49Å; F84-Y125 AromaticContact CD2-CD1 3.97Å; F84-Y125 HydrophobicContact CD2-CD1 3.97Å; F84-Y125 HydrophobicContact CD2-CD2 4.38Å; F84-Y125 AromaticContact CD2-CE1 3.66Å; F84-Y125 HydrophobicContact CD2-CE1 3.66Å; F84-Y125 AromaticContact CD2-CE2 4Å; F84-Y125 HydrophobicContact CD2-CE2 4Å; F84-Y125 HydrophobicContact CD2-CG 4.4Å; F84-Y125 AromaticContact CD2-CZ 3.7Å; F84-Y125 WeakPolarHBondContact CE2-O 3.31Å; F84-Y125 HydrophobicContact CG-CE1 4.13Å; N123-Y125 VanDerWaalsContact C-N 3.29Å; N123-Y125 PolarHBondContact OD1-N 2.71Å; Y125-M128 PolarHBondContact O-N 3.28Å; Y125-S129 PolarHBondContact O-N 2.83Å; Y125-S129 VanDerWaalsContact O-N 3.09Å; Y125-I185 PolarHBondContact N-O 2.8Å; Y125-P186 WeakPolarHBondContact CB-O 3.4Å; Y125-Y187 AromaticContact CD2-CD2 3.91Å; Y125-Y187 HydrophobicContact CD2-CD2 3.91Å; Y125-Y187 HydrophobicContact CE2-CD2 4.26Å; Y125-L188 HydrophobicContact CD2-CB 3.78Å; Y125-L188 VanDerWaalsContact CD2-N 3.3Å; Y125-L188 HydrophobicContact CE2-CB 3.39Å |
| 126 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -73.1 | -30.6 | -179.3 | -41.7 | 0 | 0 | 0 | 0 | 111.5 | I44 E48 N123 S129 I130 | I44-S126 VanDerWaalsContact CG2-CB 3.45Å; I44-S126 WeakPolarHBondContact CG2-OG 3.32Å; E48-S126 PolarHBondContact OE2-OG 3.23Å; N123-S126 PolarHBondContact ND2-OG 3.42Å; N123-S126 PolarHBondContact OD1-N 3.35Å; N123-S126 PolarHBondContact OD1-OG 2.97Å; S126-S129 WeakPolarHBondContact O-CB 3.3Å; S126-S129 PolarHBondContact O-N 2.75Å; S126-I130 PolarHBondContact O-N 3.18Å; S126-I130 VanDerWaalsContact O-N 3.09Å |
| 127 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L118 V119 N123 S129 I130 I131 F164 | L118-A127 HydrophobicContact CB-CB 3.85Å; V119-A127 HydrophobicContact CG2-CB 3.84Å; N123-A127 VanDerWaalsContact O-CB 3.28Å; N123-A127 WeakPolarHBondContact O-CB 3.29Å; N123-A127 PolarHBondContact O-N 3.34Å; A127-S129 VanDerWaalsContact C-N 3.29Å; A127-S129 PolarHBondContact O-N 3.31Å; A127-I130 PolarHBondContact O-N 3.45Å; A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 3.14Å; A127-F164 HydrophobicContact CB-CE2 3.88Å; A127-F164 HydrophobicContact CB-CZ 3.51Å |
| 128 | M | 98.3 | Very high | 98 | Very high | 13 Ų | 13 | 15 Ų | 15 | 6% | 0.064 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 173.6 | -176.9 | 55.6 | 178.9 | 0 | 0 | 112 | F84 L124 Y125 I130 I131 S132 F164 Y187 | F84-M128 HydrophobicContact CE2-CB 4.26Å; F84-M128 HydrophobicContact CE2-CG 4.27Å; F84-M128 HydrophobicContact CZ-CG 4.25Å; L124-M128 WeakPolarHBondContact O-CB 3.47Å; L124-M128 PolarHBondContact O-N 3Å; Y125-M128 PolarHBondContact O-N 3.28Å; M128-I130 PolarHBondContact O-N 3.12Å; M128-I131 PolarHBondContact O-N 3.09Å; M128-S132 VanDerWaalsContact O-CB 3.26Å; M128-S132 WeakPolarHBondContact O-CB 3.41Å; M128-S132 PolarHBondContact O-N 2.78Å; M128-S132 PolarHBondContact O-OG 2.85Å; M128-F164 HydrophobicContact CB-CD1 3.77Å; M128-F164 HydrophobicContact CB-CE1 3.64Å; M128-F164 HydrophobicContact CB-CZ 4.4Å; M128-F164 HydrophobicContact CG-CD1 4.09Å; M128-F164 HydrophobicContact CG-CE1 4.43Å; M128-F164 HydrophobicContact SD-CB 3.75Å; M128-F164 HydrophobicContact SD-CD1 3.45Å; M128-F164 WeakPolarHBondContact SD-CD1 3.48Å; M128-F164 HydrophobicContact SD-CE1 4.32Å; M128-F164 HydrophobicContact SD-CG 3.78Å; M128-Y187 HydrophobicContact CB-CD2 4.04Å; M128-Y187 HydrophobicContact CB-CE2 4.45Å; M128-Y187 HydrophobicContact CB-CG 4.34Å; M128-Y187 HydrophobicContact CG-CD1 4.37Å; M128-Y187 HydrophobicContact CG-CD2 3.86Å; M128-Y187 HydrophobicContact CG-CE1 4.35Å; M128-Y187 HydrophobicContact CG-CE2 3.85Å; M128-Y187 HydrophobicContact CG-CG 4.15Å |
| 129 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | F84 I87 N88 Y125 S126 A127 S132 A133 | F84-S129 VanDerWaalsContact CE2-CA 3.46Å; F84-S129 VanDerWaalsContact CZ-CA 3.47Å; F84-S129 PolarHBondContact O-OG 3.4Å; I87-S129 WeakPolarHBondContact CB-OG 3.17Å; I87-S129 WeakPolarHBondContact CG2-OG 3.49Å; N88-S129 PolarHBondContact N-OG 2.88Å; N88-S129 PolarHBondContact ND2-O 2.96Å; Y125-S129 PolarHBondContact O-N 2.83Å; Y125-S129 VanDerWaalsContact O-N 3.09Å; S126-S129 WeakPolarHBondContact O-CB 3.3Å; S126-S129 PolarHBondContact O-N 2.75Å; A127-S129 VanDerWaalsContact C-N 3.29Å; A127-S129 PolarHBondContact O-N 3.31Å; S129-S132 PolarHBondContact O-OG 3.11Å; S129-A133 WeakPolarHBondContact O-CB 3.22Å; S129-A133 PolarHBondContact O-N 3.35Å |
| 130 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.9 | -47.4 | 178 | -61.8 | 179.7 | 0 | 0 | 0 | 111.2 | I87 V91 F111 I114 L118 S126 A127 M128 S132 A133 L134 | I87-I130 HydrophobicContact CG2-CG1 3.94Å; V91-I130 HydrophobicContact CG2-CB 4.44Å; V91-I130 HydrophobicContact CG2-CG1 4.01Å; V91-I130 HydrophobicContact CG2-CG2 4.25Å; F111-I130 HydrophobicContact CB-CG2 3.97Å; I114-I130 HydrophobicContact CB-CD1 4.07Å; I114-I130 HydrophobicContact CG2-CD1 3.51Å; L118-I130 HydrophobicContact CD1-CD1 3.68Å; S126-I130 PolarHBondContact O-N 3.18Å; S126-I130 VanDerWaalsContact O-N 3.09Å; A127-I130 PolarHBondContact O-N 3.45Å; M128-I130 PolarHBondContact O-N 3.12Å; I130-S132 PolarHBondContact O-N 3.45Å; I130-A133 VanDerWaalsContact O-CB 3.32Å; I130-A133 WeakPolarHBondContact O-CB 3.3Å; I130-A133 PolarHBondContact O-N 3.43Å; I130-A133 VanDerWaalsContact O-N 3.12Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.11Å |
| 131 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | -178.8 | -65.4 | -58.4 | 0 | 0 | 0 | 111.6 | S115 A127 M128 A133 L134 Q135 Y157 L160 F164 | S115-I131 WeakPolarHBondContact OG-CG1 3.48Å; A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 3.14Å; M128-I131 PolarHBondContact O-N 3.09Å; I131-A133 VanDerWaalsContact C-N 3.27Å; I131-A133 PolarHBondContact O-N 3.01Å; I131-L134 PolarHBondContact O-N 2.79Å; I131-Q135 WeakPolarHBondContact O-CG 3.44Å; I131-Q135 PolarHBondContact O-N 3.35Å; I131-Q135 VanDerWaalsContact O-N 3.15Å; I131-Y157 HydrophobicContact CD1-CD2 4.33Å; I131-Y157 HydrophobicContact CD1-CE2 4.33Å; I131-L160 HydrophobicContact CD1-CB 3.64Å; I131-L160 HydrophobicContact CD1-CD1 4.02Å; I131-L160 HydrophobicContact CD1-CG 4.37Å; I131-L160 HydrophobicContact CG1-CB 4.16Å; I131-F164 HydrophobicContact CB-CD2 4.26Å; I131-F164 HydrophobicContact CG1-CD2 3.82Å; I131-F164 HydrophobicContact CG1-CE2 4.18Å; I131-F164 HydrophobicContact CG2-CB 4.24Å; I131-F164 HydrophobicContact CG2-CD2 4.43Å |
| 132 | S | 97.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 12% | 0.119 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.8 | -35.5 | 174.8 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | N88 M128 S129 I130 Q135 V136 | N88-S132 PolarHBondContact ND2-OG 3.28Å; M128-S132 VanDerWaalsContact O-CB 3.26Å; M128-S132 WeakPolarHBondContact O-CB 3.41Å; M128-S132 PolarHBondContact O-N 2.78Å; M128-S132 PolarHBondContact O-OG 2.85Å; S129-S132 PolarHBondContact O-OG 3.11Å; I130-S132 PolarHBondContact O-N 3.45Å; S132-Q135 PolarHBondContact O-N 3.43Å; S132-V136 WeakPolarHBondContact O-CG2 3.49Å; S132-V136 PolarHBondContact O-N 2.98Å |
| 133 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N88 V91 Q92 S129 I130 I131 Q135 V136 | N88-A133 HydrophobicContact CB-CB 4.22Å; N88-A133 WeakPolarHBondContact ND2-CA 3.35Å; N88-A133 PolarHBondContact ND2-N 3.49Å; N88-A133 VanDerWaalsContact ND2-N 3.2Å; N88-A133 WeakPolarHBondContact O-CB 3.27Å; N88-A133 WeakPolarHBondContact OD1-CB 3.1Å; V91-A133 HydrophobicContact CB-CB 3.82Å; V91-A133 HydrophobicContact CG1-CB 3.84Å; V91-A133 HydrophobicContact CG2-CB 4.42Å; Q92-A133 HydrophobicContact CG-CB 4.38Å; S129-A133 WeakPolarHBondContact O-CB 3.22Å; S129-A133 PolarHBondContact O-N 3.35Å; I130-A133 VanDerWaalsContact O-CB 3.32Å; I130-A133 WeakPolarHBondContact O-CB 3.3Å; I130-A133 PolarHBondContact O-N 3.43Å; I130-A133 VanDerWaalsContact O-N 3.12Å; I131-A133 VanDerWaalsContact C-N 3.27Å; I131-A133 PolarHBondContact O-N 3.01Å; A133-Q135 VanDerWaalsContact C-N 3.25Å; A133-Q135 PolarHBondContact O-N 3.13Å; A133-V136 PolarHBondContact O-N 3.02Å |
| 134 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.9 | -25.1 | 177.5 | -61.8 | -175.4 | 0 | 0 | 0 | 112.8 | V91 I95 L108 I112 I130 I131 I139 W146 Y157 | V91-L134 HydrophobicContact CG1-CD2 3.83Å; I95-L134 HydrophobicContact CD1-CD2 3.55Å; L108-L134 HydrophobicContact CD1-CD1 4.11Å; L108-L134 HydrophobicContact CD1-CD2 3.56Å; L108-L134 HydrophobicContact CD1-CG 4.36Å; I112-L134 HydrophobicContact CG1-CD1 3.96Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.11Å; I131-L134 PolarHBondContact O-N 2.79Å; L134-I139 HydrophobicContact CD2-CG2 4.23Å; L134-W146 HydrophobicContact CB-CH2 4.18Å; L134-W146 HydrophobicContact CB-CZ2 4.34Å; L134-Y157 HydrophobicContact CB-CE2 4.17Å; L134-Y157 HydrophobicContact CD1-CD2 4.11Å; L134-Y157 HydrophobicContact CD1-CE2 3.99Å |
| 135 | Q | 97.6 | Very high | 97.7 | Very high | 36 Ų | 36 | 30.2 Ų | 30.2 | 17% | 0.168 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -5.7 | 178 | -68.8 | 173.9 | -12.7 | 0 | 0 | 113.7 | I131 S132 A133 | I131-Q135 WeakPolarHBondContact O-CG 3.44Å; I131-Q135 PolarHBondContact O-N 3.35Å; I131-Q135 VanDerWaalsContact O-N 3.15Å; S132-Q135 PolarHBondContact O-N 3.43Å; A133-Q135 VanDerWaalsContact C-N 3.25Å; A133-Q135 PolarHBondContact O-N 3.13Å |
| 136 | V | 96.7 | Very high | 97.7 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -66.1 | 140.1 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | S132 A133 C138 I139 Y140 F337 | S132-V136 WeakPolarHBondContact O-CG2 3.49Å; S132-V136 PolarHBondContact O-N 2.98Å; A133-V136 PolarHBondContact O-N 3.02Å; V136-C138 PolarHBondContact O-N 3.28Å; V136-C138 VanDerWaalsContact O-N 3.09Å; V136-I139 PolarHBondContact O-N 3.16Å; V136-Y140 WeakPolarHBondContact O-CB 2.91Å; V136-Y140 PolarHBondContact O-N 3.23Å; V136-F337 HydrophobicContact CG1-CD1 4.47Å; V136-F337 HydrophobicContact CG2-CB 4.21Å; V136-F337 HydrophobicContact CG2-CD1 3.66Å; V136-F337 HydrophobicContact CG2-CE1 4.24Å; V136-F337 HydrophobicContact CG2-CG 3.95Å |
| 137 | E | 96.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 35 Ų | 35 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -50 | -39.4 | -176.2 | -178.8 | 63.3 | -156 | 0 | 0 | 113.9 | I139 R141 Y262 P340 | E137-I139 PolarHBondContact O-N 3.29Å; E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 WeakPolarHBondContact O-CD 3.38Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.29Å; E137-R141 VanDerWaalsContact O-N 3.14Å; E137-Y262 HydrophobicContact CG-CD2 4.03Å; E137-Y262 HydrophobicContact CG-CE2 3.62Å; E137-P340 WeakPolarHBondContact OE2-CG 3.37Å |
| 138 | C | 96.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -24.7 | -179.9 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | Q92 L96 V136 N261 S265 | Q92-C138 PolarHBondContact OE1-SG 3.12Å; Q92-C138 VanDerWaalsContact OE1-SG 3.33Å; L96-C138 HydrophobicContact CD1-CB 4.45Å; V136-C138 PolarHBondContact O-N 3.28Å; V136-C138 VanDerWaalsContact O-N 3.09Å; C138-N261 HydrophobicContact CB-CB 4.21Å; C138-S265 WeakPolarHBondContact O-CB 3.38Å |
| 139 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -99.3 | -46.6 | 175.4 | -56.1 | -55.5 | 0 | 0 | 0 | 110.5 | Q92 I95 L96 L134 V136 E137 R141 L142 W146 | Q92-I139 HydrophobicContact CB-CD1 4.46Å; Q92-I139 HydrophobicContact CB-CG1 4.48Å; Q92-I139 HydrophobicContact CG-CG1 4.12Å; I95-I139 HydrophobicContact CB-CD1 4Å; I95-I139 HydrophobicContact CD1-CD1 4.4Å; I95-I139 HydrophobicContact CD1-CG2 4.14Å; I95-I139 HydrophobicContact CG2-CD1 3.94Å; L96-I139 HydrophobicContact CD1-CD1 4.19Å; L96-I139 HydrophobicContact CD2-CD1 4Å; L96-I139 HydrophobicContact CG-CD1 3.77Å; L134-I139 HydrophobicContact CD2-CG2 4.23Å; V136-I139 PolarHBondContact O-N 3.16Å; E137-I139 PolarHBondContact O-N 3.29Å; I139-R141 PolarHBondContact O-N 3.07Å; I139-R141 VanDerWaalsContact O-N 3.16Å; I139-L142 HydrophobicContact CD1-CD1 4.44Å; I139-L142 WeakPolarHBondContact O-CB 3.07Å; I139-L142 WeakPolarHBondContact O-CG 3.28Å; I139-L142 PolarHBondContact O-N 2.89Å; I139-L142 VanDerWaalsContact O-N 3.07Å; I139-W146 HydrophobicContact CG2-CZ2 4.27Å; I139-W146 PolarHBondContact O-NE1 2.88Å |
| 140 | Y | 97.1 | Very high | 97.4 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 49% | 0.486 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.8 | -33.4 | -176 | -173.1 | -105.7 | 0 | 0 | 0 | 112.8 | V136 L142 W146 | V136-Y140 WeakPolarHBondContact O-CB 2.91Å; V136-Y140 PolarHBondContact O-N 3.23Å; Y140-L142 VanDerWaalsContact C-N 3.3Å; Y140-L142 PolarHBondContact O-N 2.96Å; Y140-W146 PolarHBondContact O-NE1 3.29Å |
| 141 | R | 96.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.4 | 180 | 75 | -179.8 | -66.3 | -65.4 | -11.3 | 115.6 | E137 I139 R143 S265 E269 | E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 WeakPolarHBondContact O-CD 3.38Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 3.29Å; E137-R141 VanDerWaalsContact O-N 3.14Å; I139-R141 PolarHBondContact O-N 3.07Å; I139-R141 VanDerWaalsContact O-N 3.16Å; R141-R143 PolarHBondContact O-N 3.49Å; R141-S265 WeakPolarHBondContact CD-OG 3.44Å; R141-S265 PolarHBondContact NH1-O 3.2Å; R141-E269 PolarHBondContact NH1-O 3.28Å; R141-E269 PolarHBondContact NH2-O 3.28Å; R141-E269 VanDerWaalsContact NH2-O 3.08Å |
| 142 | L | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -74.2 | 66.8 | -175.8 | -60.3 | 177.4 | 0 | 0 | 0 | 111.5 | I95 L96 I139 Y140 H144 T145 W146 L268 E269 | I95-L142 HydrophobicContact CG2-CD1 4.34Å; L96-L142 HydrophobicContact CD2-CD1 4.14Å; I139-L142 HydrophobicContact CD1-CD1 4.44Å; I139-L142 WeakPolarHBondContact O-CB 3.07Å; I139-L142 WeakPolarHBondContact O-CG 3.28Å; I139-L142 PolarHBondContact O-N 2.89Å; I139-L142 VanDerWaalsContact O-N 3.07Å; Y140-L142 VanDerWaalsContact C-N 3.3Å; Y140-L142 PolarHBondContact O-N 2.96Å; L142-H144 VanDerWaalsContact C-N 3.29Å; L142-H144 PolarHBondContact O-N 2.95Å; L142-T145 WeakPolarHBondContact O-CA 3.18Å; L142-T145 WeakPolarHBondContact O-CB 3.49Å; L142-T145 PolarHBondContact O-N 3.38Å; L142-W146 PolarHBondContact O-N 3.03Å; L142-L268 HydrophobicContact CD2-CB 4.47Å; L142-E269 VanDerWaalsContact CA-OE2 3.25Å; L142-E269 WeakPolarHBondContact CA-OE2 3.44Å; L142-E269 HydrophobicContact CD2-CB 3.99Å; L142-E269 HydrophobicContact CD2-CG 3.97Å | ||
| 143 | R | 96.6 | Very high | 97.3 | Very high | 182 Ų | 182 | 54.8 Ų | 54.8 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.3 | -39.1 | -171.4 | -67.6 | -177.6 | -179.8 | -179.2 | -0.2 | 113.4 | R141 A147 E269 | R141-R143 PolarHBondContact O-N 3.49Å; R143-A147 WeakPolarHBondContact O-CB 3.16Å; R143-A147 PolarHBondContact O-N 3.39Å; R143-E269 PolarHBondContact N-OE2 3.47Å |
| 144 | H | 96.9 | Very high | 97.3 | Very high | 124 Ų | 124 | 58.8 Ų | 58.8 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.7 | -39.6 | 178.7 | -60.8 | -67.1 | 0 | 0 | 0 | 111 | V101 L142 A147 G148 E269 | V101-H144 HydrophobicContact CG1-CB 4.14Å; L142-H144 VanDerWaalsContact C-N 3.29Å; L142-H144 PolarHBondContact O-N 2.95Å; H144-A147 PolarHBondContact O-N 3.48Å; H144-G148 PolarHBondContact O-N 2.66Å; H144-G148 VanDerWaalsContact O-N 3.15Å; H144-E269 WeakPolarHBondContact CB-OE2 3.49Å; H144-E269 IonicContact CD2-OE2 3.21Å; H144-E269 PolarHBondContact CD2-OE2 2.61Å; H144-E269 IonicContact CG-OE2 2.83Å; H144-E269 PolarHBondContact N-OE2 2.96Å |
| 145 | T | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | R104 T105 L108 L142 G148 E269 | R104-T145 HydrophobicContact CB-CG2 3.61Å; R104-T145 PolarHBondContact NE-OG1 3.16Å; R104-T145 PolarHBondContact NH2-OG1 3.14Å; T105-T145 PolarHBondContact OG1-O 2.7Å; L108-T145 HydrophobicContact CD2-CG2 4.22Å; L142-T145 WeakPolarHBondContact O-CA 3.18Å; L142-T145 WeakPolarHBondContact O-CB 3.49Å; L142-T145 PolarHBondContact O-N 3.38Å; T145-G148 PolarHBondContact O-N 3.19Å; T145-E269 PolarHBondContact N-OE1 3.15Å; T145-E269 VanDerWaalsContact N-OE1 3.09Å; T145-E269 PolarHBondContact OG1-OE1 3.47Å |
| 146 | W | 98.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 175.9 | -74.6 | 104.2 | 0 | 0 | 0 | 113 | L108 L134 I139 Y140 L142 G148 L149 R154 Y157 | L108-W146 HydrophobicContact CD1-CH2 3.79Å; L108-W146 HydrophobicContact CD1-CZ2 3.95Å; L108-W146 HydrophobicContact CD1-CZ3 4.14Å; L108-W146 HydrophobicContact CD2-CD2 3.73Å; L108-W146 HydrophobicContact CD2-CE3 3.65Å; L108-W146 HydrophobicContact CD2-CG 4.29Å; L108-W146 HydrophobicContact CD2-CH2 4.3Å; L108-W146 HydrophobicContact CD2-CZ2 4.36Å; L108-W146 HydrophobicContact CD2-CZ3 3.94Å; L108-W146 HydrophobicContact CG-CZ3 4.41Å; L134-W146 HydrophobicContact CB-CH2 4.18Å; L134-W146 HydrophobicContact CB-CZ2 4.34Å; I139-W146 HydrophobicContact CG2-CZ2 4.27Å; I139-W146 PolarHBondContact O-NE1 2.88Å; Y140-W146 PolarHBondContact O-NE1 3.29Å; L142-W146 PolarHBondContact O-N 3.03Å; W146-G148 VanDerWaalsContact C-N 3.29Å; W146-G148 PolarHBondContact O-N 2.93Å; W146-L149 HydrophobicContact CE3-CD2 4.48Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.28Å; W146-L149 PolarHBondContact O-N 2.96Å; W146-R154 PolarHBondContact O-NH2 2.98Å; W146-Y157 HydrophobicContact CH2-CD1 4.44Å; W146-Y157 HydrophobicContact CH2-CD2 4.19Å; W146-Y157 HydrophobicContact CH2-CE1 4.03Å; W146-Y157 AromaticContact CH2-CE2 3.74Å; W146-Y157 HydrophobicContact CH2-CE2 3.74Å; W146-Y157 AromaticContact CH2-CZ 3.67Å; W146-Y157 AromaticContact CZ3-CD1 3.93Å; W146-Y157 HydrophobicContact CZ3-CD1 3.93Å; W146-Y157 HydrophobicContact CZ3-CD2 4.21Å; W146-Y157 AromaticContact CZ3-CE1 3.88Å; W146-Y157 HydrophobicContact CZ3-CE1 3.88Å; W146-Y157 HydrophobicContact CZ3-CE2 4.14Å; W146-Y157 HydrophobicContact CZ3-CG 4.1Å; W146-Y157 AromaticContact CZ3-CZ 4Å |
| 147 | A | 97.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 59 Ų | 59 | 55% | 0.554 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.1 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R143 H144 L149 R154 | R143-A147 WeakPolarHBondContact O-CB 3.16Å; R143-A147 PolarHBondContact O-N 3.39Å; H144-A147 PolarHBondContact O-N 3.48Å; A147-L149 PolarHBondContact O-N 3.25Å; A147-R154 PolarHBondContact O-NH2 2.85Å |
| 148 | G | 97 | Very high | 97.5 | Very high | 48 Ų | 48 | 62 Ų | 62 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | T105 H144 T145 W146 G150 | T105-G148 WeakPolarHBondContact CG2-O 3.46Å; H144-G148 PolarHBondContact O-N 2.66Å; H144-G148 VanDerWaalsContact O-N 3.15Å; T145-G148 PolarHBondContact O-N 3.19Å; W146-G148 VanDerWaalsContact C-N 3.29Å; W146-G148 PolarHBondContact O-N 2.93Å; G148-G150 PolarHBondContact O-N 2.91Å |
| 149 | L | 97.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -66.7 | 126.1 | -177.2 | -168 | 70.1 | 0 | 0 | 0 | 111.1 | L108 I112 W146 A147 D153 R154 | L108-L149 HydrophobicContact CD2-CD1 4.47Å; L108-L149 HydrophobicContact CG-CD1 4.45Å; I112-L149 HydrophobicContact CD1-CD1 4.04Å; I112-L149 HydrophobicContact CD1-CD2 3.6Å; I112-L149 HydrophobicContact CD1-CG 4.46Å; W146-L149 HydrophobicContact CE3-CD2 4.48Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.28Å; W146-L149 PolarHBondContact O-N 2.96Å; A147-L149 PolarHBondContact O-N 3.25Å; L149-D153 HydrophobicContact CD1-CB 3.73Å; L149-D153 HydrophobicContact CD2-CB 4.33Å; L149-D153 HydrophobicContact CG-CB 3.91Å; L149-R154 HydrophobicContact CD2-CB 4.02Å; L149-R154 HydrophobicContact CG-CB 4.42Å |
| 150 | G | 96.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 68.6 Ų | 68.6 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | trans | -61.5 | 154.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G148 K152 D153 R154 | G148-G150 PolarHBondContact O-N 2.91Å; G150-K152 VanDerWaalsContact C-N 3.27Å; G150-K152 PolarHBondContact O-N 3.41Å; G150-D153 PolarHBondContact O-N 3Å; G150-R154 WeakPolarHBondContact O-CB 3.41Å; G150-R154 PolarHBondContact O-N 2.86Å | ||
| 151 | N | 97.5 | Very high | 97.6 | Very high | 136 Ų | 136 | 66.1 Ų | 66.1 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.7 | -37.4 | -174.6 | -70.2 | -21.3 | 0 | 0 | 0 | 113.7 | A155 | N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.3Å |
| 152 | K | 97.6 | Very high | 97.7 | Very high | 183 Ų | 183 | 69 Ų | 69 | 80% | 0.796 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.7 | -51.3 | 178.2 | -66.3 | -174.2 | 179.9 | -176.3 | 0 | 111.4 | G150 A155 A156 | G150-K152 VanDerWaalsContact C-N 3.27Å; G150-K152 PolarHBondContact O-N 3.41Å; K152-A155 PolarHBondContact O-N 3.39Å; K152-A156 PolarHBondContact O-N 3.47Å |
| 153 | D | 97.9 | Very high | 97.7 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | -179.1 | -62 | -26.9 | 0 | 0 | 0 | 111.5 | S109 K113 L149 G150 A155 A156 Y157 | S109-D153 WeakPolarHBondContact CB-OD2 3.29Å; S109-D153 VanDerWaalsContact OG-CG 3.28Å; S109-D153 PolarHBondContact OG-OD2 3.32Å; K113-D153 WeakPolarHBondContact CE-OD1 3.47Å; K113-D153 IonicContact NZ-OD2 2.67Å; L149-D153 HydrophobicContact CD1-CB 3.73Å; L149-D153 HydrophobicContact CD2-CB 4.33Å; L149-D153 HydrophobicContact CG-CB 3.91Å; G150-D153 PolarHBondContact O-N 3Å; D153-A155 VanDerWaalsContact C-N 3.34Å; D153-A155 PolarHBondContact O-N 3.42Å; D153-A156 PolarHBondContact O-N 2.99Å; D153-Y157 PolarHBondContact O-N 3.39Å |
| 154 | R | 98 | Very high | 97.7 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173 | -172.9 | 176.9 | -67.7 | 177.6 | 3.6 | 112.1 | W146 A147 L149 G150 R158 | W146-R154 PolarHBondContact O-NH2 2.98Å; A147-R154 PolarHBondContact O-NH2 2.85Å; L149-R154 HydrophobicContact CD2-CB 4.02Å; L149-R154 HydrophobicContact CG-CB 4.42Å; G150-R154 WeakPolarHBondContact O-CB 3.41Å; G150-R154 PolarHBondContact O-N 2.86Å; R154-R158 WeakPolarHBondContact O-CG 3.15Å; R154-R158 PolarHBondContact O-N 3.49Å |
| 155 | A | 98.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 56 Ų | 56 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N151 K152 D153 R158 R159 | N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.3Å; K152-A155 PolarHBondContact O-N 3.39Å; D153-A155 VanDerWaalsContact C-N 3.34Å; D153-A155 PolarHBondContact O-N 3.42Å; A155-R158 PolarHBondContact O-N 3.31Å; A155-R159 WeakPolarHBondContact O-CG 3.27Å; A155-R159 PolarHBondContact O-N 3.39Å; A155-R159 VanDerWaalsContact O-N 3.15Å; A155-R159 PolarHBondContact O-NH1 3.37Å |
| 156 | A | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I112 K152 D153 R158 R159 L160 | I112-A156 HydrophobicContact CG2-CB 3.94Å; K152-A156 PolarHBondContact O-N 3.47Å; D153-A156 PolarHBondContact O-N 2.99Å; A156-R158 VanDerWaalsContact C-N 3.35Å; A156-R158 PolarHBondContact O-N 3.32Å; A156-R159 PolarHBondContact O-N 2.87Å; A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.29Å |
| 157 | Y | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 175.1 | 177.2 | -100.8 | 0 | 0 | 0 | 112.2 | I112 I131 L134 W146 D153 R159 L160 E161 | I112-Y157 HydrophobicContact CD1-CD2 4.3Å; I112-Y157 HydrophobicContact CD1-CG 4.34Å; I112-Y157 HydrophobicContact CG1-CD2 4.11Å; I131-Y157 HydrophobicContact CD1-CD2 4.33Å; I131-Y157 HydrophobicContact CD1-CE2 4.33Å; L134-Y157 HydrophobicContact CB-CE2 4.17Å; L134-Y157 HydrophobicContact CD1-CD2 4.11Å; L134-Y157 HydrophobicContact CD1-CE2 3.99Å; W146-Y157 HydrophobicContact CH2-CD1 4.44Å; W146-Y157 HydrophobicContact CH2-CD2 4.19Å; W146-Y157 HydrophobicContact CH2-CE1 4.03Å; W146-Y157 AromaticContact CH2-CE2 3.74Å; W146-Y157 HydrophobicContact CH2-CE2 3.74Å; W146-Y157 AromaticContact CH2-CZ 3.67Å; W146-Y157 AromaticContact CZ3-CD1 3.93Å; W146-Y157 HydrophobicContact CZ3-CD1 3.93Å; W146-Y157 HydrophobicContact CZ3-CD2 4.21Å; W146-Y157 AromaticContact CZ3-CE1 3.88Å; W146-Y157 HydrophobicContact CZ3-CE1 3.88Å; W146-Y157 HydrophobicContact CZ3-CE2 4.14Å; W146-Y157 HydrophobicContact CZ3-CG 4.1Å; W146-Y157 AromaticContact CZ3-CZ 4Å; D153-Y157 PolarHBondContact O-N 3.39Å; Y157-R159 PolarHBondContact O-N 3.08Å; Y157-L160 PolarHBondContact O-N 2.95Å; Y157-L160 VanDerWaalsContact O-N 3.17Å; Y157-E161 HydrophobicContact CE1-CB 4.44Å; Y157-E161 WeakPolarHBondContact O-CB 3.34Å; Y157-E161 PolarHBondContact O-N 3.34Å |
| 158 | R | 98.2 | Very high | 97 | Very high | 137 Ų | 137 | 67.5 Ų | 67.5 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.5 | -77.1 | -170.3 | -71.5 | -148.7 | 2 | 112.8 | R154 A155 A156 L160 E161 E162 | R154-R158 WeakPolarHBondContact O-CG 3.15Å; R154-R158 PolarHBondContact O-N 3.49Å; A155-R158 PolarHBondContact O-N 3.31Å; A156-R158 VanDerWaalsContact C-N 3.35Å; A156-R158 PolarHBondContact O-N 3.32Å; R158-L160 VanDerWaalsContact C-N 3.32Å; R158-L160 PolarHBondContact O-N 3.31Å; R158-E161 PolarHBondContact O-N 3.14Å; R158-E162 VanDerWaalsContact O-CB 3.28Å; R158-E162 WeakPolarHBondContact O-CB 3.1Å; R158-E162 VanDerWaalsContact O-CG 3.29Å; R158-E162 WeakPolarHBondContact O-CG 3.18Å; R158-E162 PolarHBondContact O-N 3.42Å |
| 159 | R | 98.2 | Very high | 96.8 | Very high | 133 Ų | 133 | 68.4 Ų | 68.4 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.4 | -69.8 | -175.5 | -173.8 | 95.1 | -6.6 | 112.4 | A155 A156 Y157 E162 L163 | A155-R159 WeakPolarHBondContact O-CG 3.27Å; A155-R159 PolarHBondContact O-N 3.39Å; A155-R159 VanDerWaalsContact O-N 3.15Å; A155-R159 PolarHBondContact O-NH1 3.37Å; A156-R159 PolarHBondContact O-N 2.87Å; Y157-R159 PolarHBondContact O-N 3.08Å; R159-E162 WeakPolarHBondContact O-CB 3.49Å; R159-E162 PolarHBondContact O-N 3.33Å; R159-L163 PolarHBondContact O-N 2.91Å |
| 160 | L | 98.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 175.9 | -68.5 | 164.2 | 0 | 0 | 0 | 111.4 | I112 K116 V119 I131 A156 Y157 R158 E162 L163 F164 | I112-L160 HydrophobicContact CG2-CD1 4.2Å; K116-L160 HydrophobicContact CB-CD1 4.49Å; V119-L160 HydrophobicContact CG2-CD2 3.76Å; I131-L160 HydrophobicContact CD1-CB 3.64Å; I131-L160 HydrophobicContact CD1-CD1 4.02Å; I131-L160 HydrophobicContact CD1-CG 4.37Å; I131-L160 HydrophobicContact CG1-CB 4.16Å; A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.29Å; Y157-L160 PolarHBondContact O-N 2.95Å; Y157-L160 VanDerWaalsContact O-N 3.17Å; R158-L160 VanDerWaalsContact C-N 3.32Å; R158-L160 PolarHBondContact O-N 3.31Å; L160-E162 PolarHBondContact O-N 2.95Å; L160-L163 PolarHBondContact O-N 3.49Å; L160-L163 VanDerWaalsContact O-N 3.17Å; L160-F164 HydrophobicContact CD2-CE2 4.34Å; L160-F164 VanDerWaalsContact O-CD2 3.23Å; L160-F164 WeakPolarHBondContact O-CD2 3.38Å; L160-F164 PolarHBondContact O-N 3.46Å |
| 161 | E | 97.4 | Very high | 96.7 | Very high | 71 Ų | 71 | 73.6 Ų | 73.6 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.4 | -38.2 | 174.8 | 178.1 | 174.5 | -118.2 | 0 | 0 | 111.7 | Y157 R158 F164 S165 | Y157-E161 HydrophobicContact CE1-CB 4.44Å; Y157-E161 WeakPolarHBondContact O-CB 3.34Å; Y157-E161 PolarHBondContact O-N 3.34Å; R158-E161 PolarHBondContact O-N 3.14Å; E161-F164 CarbonylContact O-C 3.47Å; E161-S165 WeakPolarHBondContact O-CA 3.43Å; E161-S165 WeakPolarHBondContact O-CB 3.37Å; E161-S165 PolarHBondContact O-N 3.41Å |
| 162 | E | 97.3 | Very high | 96.7 | Very high | 96 Ų | 96 | 71.3 Ų | 71.3 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 173.3 | -84.8 | -176 | -135.5 | 0 | 0 | 112.5 | R158 R159 L160 F164 S165 R172 | R158-E162 VanDerWaalsContact O-CB 3.28Å; R158-E162 WeakPolarHBondContact O-CB 3.1Å; R158-E162 VanDerWaalsContact O-CG 3.29Å; R158-E162 WeakPolarHBondContact O-CG 3.18Å; R158-E162 PolarHBondContact O-N 3.42Å; R159-E162 WeakPolarHBondContact O-CB 3.49Å; R159-E162 PolarHBondContact O-N 3.33Å; L160-E162 PolarHBondContact O-N 2.95Å; E162-F164 VanDerWaalsContact C-N 3.3Å; E162-F164 PolarHBondContact O-N 2.95Å; E162-S165 VanDerWaalsContact O-CB 3.31Å; E162-S165 WeakPolarHBondContact O-CB 3.14Å; E162-S165 PolarHBondContact O-N 3.39Å; E162-S165 VanDerWaalsContact O-N 3.16Å; E162-S165 PolarHBondContact O-OG 2.98Å; E162-R172 VanDerWaalsContact C-CZ 3.49Å; E162-R172 VanDerWaalsContact CB-NH1 3.31Å; E162-R172 PolarHBondContact O-NE 2.95Å; E162-R172 PolarHBondContact O-NH2 3.48Å; E162-R172 IonicContact OE2-NH1 2.91Å; E162-R172 PolarHBondContact OE2-NH1 3.43Å |
| 163 | L | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.8 | -45.3 | 176.4 | 178.8 | 63.1 | 0 | 0 | 0 | 111.6 | V119 L124 R159 L160 S165 Q173 H176 | V119-L163 HydrophobicContact CG1-CD2 3.83Å; V119-L163 HydrophobicContact CG2-CD2 3.95Å; L124-L163 HydrophobicContact CD2-CD2 4.26Å; R159-L163 PolarHBondContact O-N 2.91Å; L160-L163 PolarHBondContact O-N 3.49Å; L160-L163 VanDerWaalsContact O-N 3.17Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 2.6Å; L163-Q173 WeakPolarHBondContact O-CG 3.38Å; L163-H176 HydrophobicContact CD1-CB 4.13Å |
| 164 | F | 97.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 10.1 | -178.6 | -68 | -69.5 | 0 | 0 | 0 | 114.4 | V119 L124 A127 M128 I131 L160 E161 E162 Q173 | V119-F164 HydrophobicContact CG2-CE2 4.02Å; V119-F164 HydrophobicContact CG2-CZ 4.14Å; L124-F164 HydrophobicContact CB-CE1 4.27Å; L124-F164 HydrophobicContact CB-CZ 4.49Å; L124-F164 HydrophobicContact CD2-CE1 4.42Å; L124-F164 HydrophobicContact CD2-CZ 4.03Å; A127-F164 HydrophobicContact CB-CE2 3.88Å; A127-F164 HydrophobicContact CB-CZ 3.51Å; M128-F164 HydrophobicContact CB-CD1 3.77Å; M128-F164 HydrophobicContact CB-CE1 3.64Å; M128-F164 HydrophobicContact CB-CZ 4.4Å; M128-F164 HydrophobicContact CG-CD1 4.09Å; M128-F164 HydrophobicContact CG-CE1 4.43Å; M128-F164 HydrophobicContact SD-CB 3.75Å; M128-F164 HydrophobicContact SD-CD1 3.45Å; M128-F164 WeakPolarHBondContact SD-CD1 3.48Å; M128-F164 HydrophobicContact SD-CE1 4.32Å; M128-F164 HydrophobicContact SD-CG 3.78Å; I131-F164 HydrophobicContact CB-CD2 4.26Å; I131-F164 HydrophobicContact CG1-CD2 3.82Å; I131-F164 HydrophobicContact CG1-CE2 4.18Å; I131-F164 HydrophobicContact CG2-CB 4.24Å; I131-F164 HydrophobicContact CG2-CD2 4.43Å; L160-F164 HydrophobicContact CD2-CE2 4.34Å; L160-F164 VanDerWaalsContact O-CD2 3.23Å; L160-F164 WeakPolarHBondContact O-CD2 3.38Å; L160-F164 PolarHBondContact O-N 3.46Å; E161-F164 CarbonylContact O-C 3.47Å; E162-F164 VanDerWaalsContact C-N 3.3Å; E162-F164 PolarHBondContact O-N 2.95Å; F164-Q173 HydrophobicContact CD1-CG 4.32Å; F164-Q173 PolarHBondContact O-NE2 3.19Å |
| 165 | S | 95 | Very high | 96.6 | Very high | 20 Ų | 20 | 63.9 Ų | 63.9 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | trans | -61.9 | 143.2 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | E161 E162 L163 N167 R172 | E161-S165 WeakPolarHBondContact O-CA 3.43Å; E161-S165 WeakPolarHBondContact O-CB 3.37Å; E161-S165 PolarHBondContact O-N 3.41Å; E162-S165 VanDerWaalsContact O-CB 3.31Å; E162-S165 WeakPolarHBondContact O-CB 3.14Å; E162-S165 PolarHBondContact O-N 3.39Å; E162-S165 VanDerWaalsContact O-N 3.16Å; E162-S165 PolarHBondContact O-OG 2.98Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 2.6Å; S165-N167 PolarHBondContact O-N 3.11Å; S165-R172 PolarHBondContact OG-NE 2.92Å; S165-R172 PolarHBondContact OG-NH2 2.88Å | ||
| 166 | Q | 92.6 | Very high | 96.5 | Very high | 110 Ų | 110 | 64.2 Ų | 64.2 | 51% | 0.514 | 29% | 0.293 | S | S | . | . | trans | -83.1 | 1.8 | 178.3 | -62.7 | -179.1 | 6.9 | 0 | 0 | 113.1 | ||||
| 167 | N | 93.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.6 | 144.6 | -179.2 | -65 | -8.9 | 0 | 0 | 0 | 111.2 | S165 N169 C170 R171 | S165-N167 PolarHBondContact O-N 3.11Å; N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.3Å; N167-C170 PolarHBondContact O-N 2.91Å; N167-R171 PolarHBondContact O-N 3.09Å |
| 168 | D | 94 | Very high | 96.1 | Very high | 129 Ų | 129 | 68.1 Ų | 68.1 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | 50.3 | 43.7 | 178.2 | -56.2 | -33.3 | 0 | 0 | 0 | 113.3 | C170 R171 | D168-C170 PolarHBondContact O-N 2.9Å; D168-R171 HydrophobicContact CB-CB 3.8Å; D168-R171 PolarHBondContact O-N 3.43Å |
| 169 | N | 93.2 | Very high | 96 | Very high | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | 56.2 | 50.2 | -176.3 | -179.4 | 22.1 | 0 | 0 | 0 | 112.2 | N167 R171 R174 W331 | N167-N169 VanDerWaalsContact C-N 3.27Å; N167-N169 PolarHBondContact O-N 3.3Å; N169-R171 VanDerWaalsContact C-N 3.28Å; N169-R171 PolarHBondContact O-N 2.9Å; N169-R174 PolarHBondContact ND2-NH2 2.9Å; N169-R174 PolarHBondContact O-NE 3.06Å; N169-R174 PolarHBondContact OD1-NH2 3.17Å; N169-R174 VanDerWaalsContact OD1-NH2 3.09Å; N169-W331 WeakPolarHBondContact OD1-CH2 3.45Å; N169-W331 WeakPolarHBondContact OD1-CZ3 3.42Å |
| 170 | C | 95.2 | Very high | 95.9 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 12% | 0.122 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | 56.5 | 39.3 | -179.8 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | N167 D168 R172 Q173 R174 L190 | N167-C170 PolarHBondContact O-N 2.91Å; D168-C170 PolarHBondContact O-N 2.9Å; C170-R172 VanDerWaalsContact C-N 3.3Å; C170-R172 PolarHBondContact O-N 2.83Å; C170-Q173 HydrophobicContact CB-CB 4.38Å; C170-Q173 HydrophobicContact CB-CG 4.41Å; C170-Q173 PolarHBondContact O-N 3.49Å; C170-Q173 VanDerWaalsContact O-N 3.13Å; C170-R174 PolarHBondContact O-N 2.97Å; C170-R174 VanDerWaalsContact O-N 3.15Å; C170-L190 HydrophobicContact CB-CD1 3.74Å |
| 171 | R | 97 | Very high | 95.6 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -49.6 | -46.9 | -174.9 | 176.5 | 179.4 | 171.3 | -142.2 | -11.5 | 113.1 | N167 D168 N169 Q173 R174 E175 | N167-R171 PolarHBondContact O-N 3.09Å; D168-R171 HydrophobicContact CB-CB 3.8Å; D168-R171 PolarHBondContact O-N 3.43Å; N169-R171 VanDerWaalsContact C-N 3.28Å; N169-R171 PolarHBondContact O-N 2.9Å; R171-Q173 PolarHBondContact O-N 3.47Å; R171-R174 WeakPolarHBondContact O-CB 3.26Å; R171-R174 PolarHBondContact O-N 2.97Å; R171-R174 VanDerWaalsContact O-N 3.16Å; R171-E175 HydrophobicContact CG-CG 4.26Å; R171-E175 IonicContact CZ-OE1 3.12Å; R171-E175 IonicContact NE-OE1 2.72Å; R171-E175 PolarHBondContact NE-OE1 2.97Å; R171-E175 IonicContact NE-OE2 3.75Å; R171-E175 IonicContact NH2-OE1 2.74Å; R171-E175 PolarHBondContact NH2-OE1 3.15Å; R171-E175 IonicContact NH2-OE2 3.92Å; R171-E175 WeakPolarHBondContact O-CG 3.27Å; R171-E175 PolarHBondContact O-N 3.08Å |
| 172 | R | 97 | Very high | 95.6 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | -177.1 | -72.1 | -167.7 | -88.3 | -166.6 | 1.8 | 113.2 | E162 S165 C170 R174 E175 H176 | E162-R172 VanDerWaalsContact C-CZ 3.49Å; E162-R172 VanDerWaalsContact CB-NH1 3.31Å; E162-R172 PolarHBondContact O-NE 2.95Å; E162-R172 PolarHBondContact O-NH2 3.48Å; E162-R172 IonicContact OE2-NH1 2.91Å; E162-R172 PolarHBondContact OE2-NH1 3.43Å; S165-R172 PolarHBondContact OG-NE 2.92Å; S165-R172 PolarHBondContact OG-NH2 2.88Å; C170-R172 VanDerWaalsContact C-N 3.3Å; C170-R172 PolarHBondContact O-N 2.83Å; R172-R174 VanDerWaalsContact C-N 3.35Å; R172-E175 PolarHBondContact O-N 3.02Å; R172-H176 WeakPolarHBondContact O-CB 3.48Å; R172-H176 PolarHBondContact O-N 3.25Å |
| 173 | Q | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174.7 | -57.9 | 176.4 | 47.6 | 0 | 0 | 110.8 | L163 F164 C170 R171 M177 | L163-Q173 WeakPolarHBondContact O-CG 3.38Å; F164-Q173 HydrophobicContact CD1-CG 4.32Å; F164-Q173 PolarHBondContact O-NE2 3.19Å; C170-Q173 HydrophobicContact CB-CB 4.38Å; C170-Q173 HydrophobicContact CB-CG 4.41Å; C170-Q173 PolarHBondContact O-N 3.49Å; C170-Q173 VanDerWaalsContact O-N 3.13Å; R171-Q173 PolarHBondContact O-N 3.47Å; Q173-M177 WeakPolarHBondContact O-CB 3.25Å; Q173-M177 WeakPolarHBondContact O-CG 3.14Å; Q173-M177 PolarHBondContact O-N 3.03Å |
| 174 | R | 96.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 61 Ų | 61 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.8 | -66.5 | 174.3 | -175.5 | -79.1 | 4 | 111.7 | N169 C170 R171 R172 M177 N178 L190 D194 | N169-R174 PolarHBondContact ND2-NH2 2.9Å; N169-R174 PolarHBondContact O-NE 3.06Å; N169-R174 PolarHBondContact OD1-NH2 3.17Å; N169-R174 VanDerWaalsContact OD1-NH2 3.09Å; C170-R174 PolarHBondContact O-N 2.97Å; C170-R174 VanDerWaalsContact O-N 3.15Å; R171-R174 WeakPolarHBondContact O-CB 3.26Å; R171-R174 PolarHBondContact O-N 2.97Å; R171-R174 VanDerWaalsContact O-N 3.16Å; R172-R174 VanDerWaalsContact C-N 3.35Å; R174-M177 PolarHBondContact O-N 3.01Å; R174-N178 WeakPolarHBondContact O-CB 3.42Å; R174-N178 PolarHBondContact O-N 3.14Å; R174-N178 PolarHBondContact O-ND2 3.4Å; R174-N178 VanDerWaalsContact O-ND2 3.08Å; R174-L190 HydrophobicContact CG-CD1 4.3Å; R174-L190 HydrophobicContact CG-CD2 3.79Å; R174-L190 HydrophobicContact CG-CG 4.47Å; R174-L190 VanDerWaalsContact CZ-CD1 3.49Å; R174-D194 IonicContact CZ-OD1 3.43Å; R174-D194 IonicContact CZ-OD2 3.5Å; R174-D194 IonicContact NH1-OD1 2.79Å; R174-D194 PolarHBondContact NH1-OD1 2.62Å; R174-D194 IonicContact NH1-OD2 3.4Å; R174-D194 PolarHBondContact NH1-OD2 3.34Å; R174-D194 IonicContact NH2-OD1 3.76Å; R174-D194 PolarHBondContact NH2-OD1 2.76Å; R174-D194 IonicContact NH2-OD2 2.72Å |
| 175 | E | 97.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 177.4 | -74.5 | 174.3 | 160.9 | 0 | 0 | 111 | R171 R172 N178 S179 | R171-E175 HydrophobicContact CG-CG 4.26Å; R171-E175 IonicContact CZ-OE1 3.12Å; R171-E175 IonicContact NE-OE1 2.72Å; R171-E175 PolarHBondContact NE-OE1 2.97Å; R171-E175 IonicContact NE-OE2 3.75Å; R171-E175 IonicContact NH2-OE1 2.74Å; R171-E175 PolarHBondContact NH2-OE1 3.15Å; R171-E175 IonicContact NH2-OE2 3.92Å; R171-E175 WeakPolarHBondContact O-CG 3.27Å; R171-E175 PolarHBondContact O-N 3.08Å; R172-E175 PolarHBondContact O-N 3.02Å; E175-N178 PolarHBondContact O-N 2.99Å; E175-S179 PolarHBondContact O-N 3.27Å; E175-S179 PolarHBondContact O-OG 3.5Å |
| 176 | H | 96.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 175.9 | -176.4 | 90.3 | 0 | 0 | 0 | 112 | L163 R172 N178 S179 I180 | L163-H176 HydrophobicContact CD1-CB 4.13Å; R172-H176 WeakPolarHBondContact O-CB 3.48Å; R172-H176 PolarHBondContact O-N 3.25Å; H176-N178 PolarHBondContact O-N 3.41Å; H176-S179 WeakPolarHBondContact CA-OG 3.01Å; H176-S179 PolarHBondContact O-N 3.09Å; H176-S179 VanDerWaalsContact O-N 3.08Å; H176-S179 PolarHBondContact O-OG 2.97Å; H176-I180 PolarHBondContact O-N 3.21Å |
| 177 | M | 94.8 | Very high | 96 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -29.9 | 178.8 | -72.5 | -53 | -46.6 | 0 | 0 | 113.3 | L124 Q173 R174 I180 P186 F227 | L124-M177 HydrophobicContact CB-SD 4.42Å; L124-M177 HydrophobicContact CD1-CG 3.75Å; L124-M177 HydrophobicContact CD1-SD 3.48Å; L124-M177 WeakPolarHBondContact CD1-SD 3.26Å; L124-M177 HydrophobicContact CG-SD 3.83Å; Q173-M177 WeakPolarHBondContact O-CB 3.25Å; Q173-M177 WeakPolarHBondContact O-CG 3.14Å; Q173-M177 PolarHBondContact O-N 3.03Å; R174-M177 PolarHBondContact O-N 3.01Å; M177-I180 HydrophobicContact CE-CD1 3.7Å; M177-I180 HydrophobicContact CE-CG1 4.23Å; M177-I180 HydrophobicContact SD-CD1 3.95Å; M177-P186 HydrophobicContact CE-CB 3.77Å; M177-P186 HydrophobicContact CE-CG 4.49Å; M177-P186 HydrophobicContact SD-CB 4.18Å; M177-F227 HydrophobicContact CE-CD1 3.88Å; M177-F227 HydrophobicContact CE-CD2 4.13Å; M177-F227 HydrophobicContact CE-CE1 3.36Å; M177-F227 HydrophobicContact CE-CE2 3.64Å; M177-F227 HydrophobicContact CE-CG 4.26Å; M177-F227 HydrophobicContact CE-CZ 3.24Å |
| 178 | N | 94.9 | Very high | 96.2 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -79.5 | -22.3 | 176 | -68.1 | -29.6 | 0 | 0 | 0 | 112.7 | R174 E175 H176 | R174-N178 WeakPolarHBondContact O-CB 3.42Å; R174-N178 PolarHBondContact O-N 3.14Å; R174-N178 PolarHBondContact O-ND2 3.4Å; R174-N178 VanDerWaalsContact O-ND2 3.08Å; E175-N178 PolarHBondContact O-N 2.99Å; H176-N178 PolarHBondContact O-N 3.41Å |
| 179 | S | 95.7 | Very high | 96.3 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -85.5 | -19.8 | 179.7 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | E175 H176 | E175-S179 PolarHBondContact O-N 3.27Å; E175-S179 PolarHBondContact O-OG 3.5Å; H176-S179 WeakPolarHBondContact CA-OG 3.01Å; H176-S179 PolarHBondContact O-N 3.09Å; H176-S179 VanDerWaalsContact O-N 3.08Å; H176-S179 PolarHBondContact O-OG 2.97Å |
| 180 | I | 94.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | trans | -92.4 | 150.7 | -177.8 | 64.8 | 168 | 0 | 0 | 0 | 112 | N122 H176 M177 F227 | N122-I180 HydrophobicContact CB-CD1 3.68Å; H176-I180 PolarHBondContact O-N 3.21Å; M177-I180 HydrophobicContact CE-CD1 3.7Å; M177-I180 HydrophobicContact CE-CG1 4.23Å; M177-I180 HydrophobicContact SD-CD1 3.95Å; I180-F227 HydrophobicContact CD1-CE1 4.32Å; I180-F227 HydrophobicContact CG1-CE1 4.32Å | ||
| 181 | S | 93.7 | Very high | 96.5 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 57% | 0.573 | 22% | 0.216 | S | C | * | . | trans | -104.2 | 174.8 | 164.5 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 182 | L | 96.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -59.9 | 144.9 | 177.1 | -55.9 | 178.2 | 0 | 0 | 0 | 111.2 | Y226 F227 Q229 S230 | L182-Y226 HydrophobicContact CD1-CE2 4.1Å; L182-Y226 HydrophobicContact CD2-CD1 4.1Å; L182-Y226 HydrophobicContact CD2-CE1 3.78Å; L182-Y226 WeakPolarHBondContact CD2-O 3.46Å; L182-Y226 HydrophobicContact CG-CE1 4.01Å; L182-Y226 HydrophobicContact CG-CE2 4.15Å; L182-F227 HydrophobicContact CD2-CD1 3.91Å; L182-F227 HydrophobicContact CD2-CE1 4.49Å; L182-Q229 HydrophobicContact CD1-CB 3.84Å; L182-S230 WeakPolarHBondContact CD2-OG 3.41Å |
| 183 | P | 97.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | S | Bend | cis | -84.5 | 150.2 | 2.4 | 34.2 | -35.5 | 0 | 0 | 0 | 113.8 | N122 E231 Y232 | N122-P183 WeakPolarHBondContact CB-O 3.37Å; N122-P183 PolarHBondContact ND2-O 3.16Å; N122-P183 VanDerWaalsContact ND2-O 3.07Å; P183-E231 WeakPolarHBondContact CB-O 3.48Å; P183-Y232 HydrophobicContact CB-CD1 4.3Å; P183-Y232 HydrophobicContact CB-CD2 4.39Å; P183-Y232 HydrophobicContact CB-CE1 3.91Å; P183-Y232 HydrophobicContact CB-CE2 4.02Å; P183-Y232 HydrophobicContact CG-CD1 4.25Å; P183-Y232 HydrophobicContact CG-CE1 3.94Å |
| 184 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -168.8 | 143.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N122 S230 Y232 | N122-G184 CarbonylContact O-C 3.58Å; N122-G184 WeakPolarHBondContact O-CA 3.38Å; G184-S230 PolarHBondContact N-OG 3.09Å; G184-S230 PolarHBondContact O-OG 3.25Å; G184-Y232 WeakPolarHBondContact CA-OH 3.37Å | ||
| 185 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 105.6 | 175.6 | -53.2 | 178.7 | 0 | 0 | 0 | 108.9 | T45 E48 L49 F52 N122 N123 L124 Y125 Y232 | T45-I185 HydrophobicContact CG2-CD1 4.04Å; E48-I185 HydrophobicContact CB-CD1 4.19Å; E48-I185 HydrophobicContact CG-CD1 4.03Å; E48-I185 HydrophobicContact CG-CG2 4.1Å; L49-I185 HydrophobicContact CB-CD1 4.13Å; L49-I185 HydrophobicContact CD1-CD1 4.15Å; L49-I185 HydrophobicContact CD1-CG1 4.3Å; F52-I185 HydrophobicContact CD1-CG2 4.2Å; F52-I185 HydrophobicContact CG-CG2 4.27Å; N122-I185 PolarHBondContact O-N 2.68Å; N123-I185 HydrophobicContact CB-CB 4.42Å; L124-I185 PolarHBondContact N-O 2.9Å; Y125-I185 PolarHBondContact N-O 2.8Å; I185-Y232 HydrophobicContact CD1-CE2 4.16Å; I185-Y232 HydrophobicContact CG1-CE2 4.08Å |
| 186 | P | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -67.3 | 154.3 | -178.8 | 22.8 | -30.7 | 0 | 0 | 0 | 112.9 | F52 Y125 M177 L188 Y191 F227 | F52-P186 HydrophobicContact CE1-CG 4.44Å; F52-P186 HydrophobicContact CE2-CG 4.29Å; F52-P186 HydrophobicContact CZ-CG 3.74Å; Y125-P186 WeakPolarHBondContact CB-O 3.4Å; M177-P186 HydrophobicContact CE-CB 3.77Å; M177-P186 HydrophobicContact CE-CG 4.49Å; M177-P186 HydrophobicContact SD-CB 4.18Å; P186-L188 PolarHBondContact O-N 2.97Å; P186-Y191 HydrophobicContact CB-CD2 4.17Å; P186-Y191 HydrophobicContact CB-CE2 3.45Å; P186-Y191 VanDerWaalsContact CB-CE2 3.45Å; P186-Y191 HydrophobicContact CG-CE2 4.24Å; P186-F227 HydrophobicContact CG-CB 4.03Å; P186-F227 HydrophobicContact CG-CD2 4.03Å; P186-F227 HydrophobicContact CG-CG 4.11Å | ||
| 187 | Y | 97.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | trans | -66.1 | 96.7 | 164.9 | 175.8 | -129.8 | 0 | 0 | 0 | 110.8 | F84 Y125 M128 G189 L190 | F84-Y187 HydrophobicContact CE2-CD2 4.31Å; F84-Y187 AromaticContact CE2-CE2 3.91Å; F84-Y187 HydrophobicContact CE2-CE2 3.91Å; F84-Y187 HydrophobicContact CZ-CE2 4.22Å; Y125-Y187 AromaticContact CD2-CD2 3.91Å; Y125-Y187 HydrophobicContact CD2-CD2 3.91Å; Y125-Y187 HydrophobicContact CE2-CD2 4.26Å; M128-Y187 HydrophobicContact CB-CD2 4.04Å; M128-Y187 HydrophobicContact CB-CE2 4.45Å; M128-Y187 HydrophobicContact CB-CG 4.34Å; M128-Y187 HydrophobicContact CG-CD1 4.37Å; M128-Y187 HydrophobicContact CG-CD2 3.86Å; M128-Y187 HydrophobicContact CG-CE1 4.35Å; M128-Y187 HydrophobicContact CG-CE2 3.85Å; M128-Y187 HydrophobicContact CG-CG 4.15Å; Y187-G189 PolarHBondContact O-N 2.91Å; Y187-G189 VanDerWaalsContact O-N 3.13Å; Y187-L190 HydrophobicContact CD1-CB 4.02Å; Y187-L190 WeakPolarHBondContact O-CB 3.14Å; Y187-L190 PolarHBondContact O-N 2.97Å | ||
| 188 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -50.6 | -38 | -177.3 | -163.9 | 61.1 | 0 | 0 | 0 | 113.6 | F52 I55 F60 I77 Y125 P186 L190 Y191 L192 I224 | F52-L188 HydrophobicContact CE2-CD1 4.26Å; I55-L188 HydrophobicContact CD1-CD2 3.89Å; F60-L188 HydrophobicContact CE1-CD1 3.8Å; F60-L188 HydrophobicContact CZ-CD1 3.91Å; I77-L188 HydrophobicContact CG2-CD2 4.33Å; Y125-L188 HydrophobicContact CD2-CB 3.78Å; Y125-L188 VanDerWaalsContact CD2-N 3.3Å; Y125-L188 HydrophobicContact CE2-CB 3.39Å; P186-L188 PolarHBondContact O-N 2.97Å; L188-L190 PolarHBondContact O-N 3.01Å; L188-L190 VanDerWaalsContact O-N 3.12Å; L188-Y191 PolarHBondContact O-N 3.4Å; L188-L192 HydrophobicContact CD2-CD1 4.41Å; L188-L192 HydrophobicContact CG-CD1 4.15Å; L188-L192 HydrophobicContact CG-CD2 4.48Å; L188-L192 HydrophobicContact CG-CG 4.09Å; L188-L192 WeakPolarHBondContact O-CG 3.17Å; L188-L192 PolarHBondContact O-N 2.87Å; L188-I224 HydrophobicContact CD1-CD1 4.46Å |
| 189 | G | 95.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -28.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y187 S193 | Y187-G189 PolarHBondContact O-N 2.91Å; Y187-G189 VanDerWaalsContact O-N 3.13Å; G189-S193 WeakPolarHBondContact O-CB 3.32Å; G189-S193 PolarHBondContact O-N 3.16Å; G189-S193 VanDerWaalsContact O-N 3.08Å; G189-S193 PolarHBondContact O-OG 3.16Å |
| 190 | L | 96 | Very high | 95.9 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 173.2 | -172.4 | 65.4 | 0 | 0 | 0 | 111.5 | C170 R174 Y187 L188 S193 D194 | C170-L190 HydrophobicContact CB-CD1 3.74Å; R174-L190 HydrophobicContact CG-CD1 4.3Å; R174-L190 HydrophobicContact CG-CD2 3.79Å; R174-L190 HydrophobicContact CG-CG 4.47Å; R174-L190 VanDerWaalsContact CZ-CD1 3.49Å; Y187-L190 HydrophobicContact CD1-CB 4.02Å; Y187-L190 WeakPolarHBondContact O-CB 3.14Å; Y187-L190 PolarHBondContact O-N 2.97Å; L188-L190 PolarHBondContact O-N 3.01Å; L188-L190 VanDerWaalsContact O-N 3.12Å; L190-S193 WeakPolarHBondContact O-CB 3.48Å; L190-S193 PolarHBondContact O-N 3.3Å; L190-D194 PolarHBondContact O-N 2.98Å |
| 191 | Y | 97.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75 | -35.1 | -177.4 | -64.3 | -100.1 | 0 | 0 | 0 | 111.8 | P186 L188 S193 D194 L195 I220 K223 I224 | P186-Y191 HydrophobicContact CB-CD2 4.17Å; P186-Y191 HydrophobicContact CB-CE2 3.45Å; P186-Y191 VanDerWaalsContact CB-CE2 3.45Å; P186-Y191 HydrophobicContact CG-CE2 4.24Å; L188-Y191 PolarHBondContact O-N 3.4Å; Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.45Å; Y191-D194 PolarHBondContact O-N 2.94Å; Y191-L195 WeakPolarHBondContact O-CG 3.47Å; Y191-L195 PolarHBondContact O-N 2.85Å; Y191-I220 HydrophobicContact CD1-CG2 4Å; Y191-K223 HydrophobicContact CE1-CB 4.11Å; Y191-I224 HydrophobicContact CD1-CD1 4.37Å; Y191-I224 HydrophobicContact CD1-CG1 3.81Å; Y191-I224 HydrophobicContact CE1-CG1 4.47Å; Y191-I224 HydrophobicContact CG-CD1 4.28Å; Y191-I224 HydrophobicContact CG-CG1 4Å |
| 192 | L | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -36.6 | 172.1 | -62.7 | -178.3 | 0 | 0 | 0 | 111.7 | F60 W65 I77 L188 L195 T196 F335 | F60-L192 HydrophobicContact CD1-CD2 3.9Å; F60-L192 HydrophobicContact CE1-CD2 3.88Å; W65-L192 HydrophobicContact CD2-CD2 3.95Å; W65-L192 HydrophobicContact CE3-CD2 4.06Å; W65-L192 HydrophobicContact CH2-CD2 3.93Å; W65-L192 HydrophobicContact CZ2-CB 3.86Å; W65-L192 HydrophobicContact CZ2-CD2 3.83Å; W65-L192 HydrophobicContact CZ2-CG 4.36Å; W65-L192 HydrophobicContact CZ3-CD2 4.02Å; I77-L192 HydrophobicContact CD1-CD2 4.48Å; I77-L192 HydrophobicContact CG2-CD1 4.06Å; I77-L192 HydrophobicContact CG2-CD2 4.48Å; L188-L192 HydrophobicContact CD2-CD1 4.41Å; L188-L192 HydrophobicContact CG-CD1 4.15Å; L188-L192 HydrophobicContact CG-CD2 4.48Å; L188-L192 HydrophobicContact CG-CG 4.09Å; L188-L192 WeakPolarHBondContact O-CG 3.17Å; L188-L192 PolarHBondContact O-N 2.87Å; L192-L195 HydrophobicContact CD2-CD1 4.3Å; L192-T196 WeakPolarHBondContact O-CB 3.42Å; L192-T196 PolarHBondContact O-N 2.86Å; L192-T196 PolarHBondContact O-OG1 2.87Å; L192-F335 HydrophobicContact CD1-CE2 3.65Å; L192-F335 HydrophobicContact CD1-CZ 3.59Å |
| 193 | S | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | G189 L190 Y191 L195 T196 Y197 | G189-S193 WeakPolarHBondContact O-CB 3.32Å; G189-S193 PolarHBondContact O-N 3.16Å; G189-S193 VanDerWaalsContact O-N 3.08Å; G189-S193 PolarHBondContact O-OG 3.16Å; L190-S193 WeakPolarHBondContact O-CB 3.48Å; L190-S193 PolarHBondContact O-N 3.3Å; Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.45Å; S193-L195 PolarHBondContact O-N 3.03Å; S193-T196 PolarHBondContact O-N 2.9Å; S193-Y197 WeakPolarHBondContact O-CB 3.31Å; S193-Y197 PolarHBondContact O-N 3.07Å |
| 194 | D | 96.4 | Very high | 94 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.9 | -69.7 | -15.3 | 0 | 0 | 0 | 112.5 | R174 L190 Y191 T198 I220 | R174-D194 IonicContact CZ-OD1 3.43Å; R174-D194 IonicContact CZ-OD2 3.5Å; R174-D194 IonicContact NH1-OD1 2.79Å; R174-D194 PolarHBondContact NH1-OD1 2.62Å; R174-D194 IonicContact NH1-OD2 3.4Å; R174-D194 PolarHBondContact NH1-OD2 3.34Å; R174-D194 IonicContact NH2-OD1 3.76Å; R174-D194 PolarHBondContact NH2-OD1 2.76Å; R174-D194 IonicContact NH2-OD2 2.72Å; L190-D194 PolarHBondContact O-N 2.98Å; Y191-D194 PolarHBondContact O-N 2.94Å; D194-T198 WeakPolarHBondContact O-CB 3.43Å; D194-T198 PolarHBondContact O-N 3.25Å; D194-T198 PolarHBondContact O-OG1 3.18Å; D194-I220 HydrophobicContact CB-CD1 3.9Å |
| 195 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.4 | -72.8 | 171.3 | 0 | 0 | 0 | 111.2 | F60 L63 W65 Y191 L192 S193 T198 N199 I217 I220 I221 | F60-L195 HydrophobicContact CB-CD1 4.05Å; F60-L195 HydrophobicContact CD1-CD1 3.92Å; F60-L195 HydrophobicContact CG-CD1 4.38Å; L63-L195 HydrophobicContact CD2-CB 3.85Å; W65-L195 HydrophobicContact CH2-CB 3.76Å; W65-L195 HydrophobicContact CH2-CD1 3.79Å; W65-L195 HydrophobicContact CH2-CG 4.44Å; W65-L195 HydrophobicContact CZ2-CB 4.49Å; W65-L195 HydrophobicContact CZ3-CD1 4.07Å; Y191-L195 WeakPolarHBondContact O-CG 3.47Å; Y191-L195 PolarHBondContact O-N 2.85Å; L192-L195 HydrophobicContact CD2-CD1 4.3Å; S193-L195 PolarHBondContact O-N 3.03Å; L195-T198 PolarHBondContact O-N 3.43Å; L195-N199 WeakPolarHBondContact O-CB 3.37Å; L195-N199 PolarHBondContact O-N 3.31Å; L195-I217 HydrophobicContact CD2-CD1 3.71Å; L195-I217 HydrophobicContact CD2-CG2 4.04Å; L195-I220 HydrophobicContact CD2-CB 3.95Å; L195-I220 HydrophobicContact CD2-CD1 4.12Å; L195-I220 HydrophobicContact CD2-CG2 3.9Å; L195-I220 HydrophobicContact CG-CB 4.48Å; L195-I220 HydrophobicContact CG-CG2 3.9Å; L195-I221 HydrophobicContact CD2-CG1 4.27Å |
| 196 | T | 95.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 111 | L192 S193 N199 V200 | L192-T196 WeakPolarHBondContact O-CB 3.42Å; L192-T196 PolarHBondContact O-N 2.86Å; L192-T196 PolarHBondContact O-OG1 2.87Å; S193-T196 PolarHBondContact O-N 2.9Å; T196-N199 PolarHBondContact O-N 3.28Å; T196-V200 WeakPolarHBondContact O-CG2 3.43Å; T196-V200 PolarHBondContact O-N 3.01Å; T196-V200 VanDerWaalsContact O-N 3.15Å |
| 197 | Y | 95 | Very high | 92.1 | Very high | 154 Ų | 154 | 55.3 Ų | 55.3 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 178.5 | -179.3 | -98.9 | 0 | 0 | 0 | 111.6 | S193 N199 V200 A201 | S193-Y197 WeakPolarHBondContact O-CB 3.31Å; S193-Y197 PolarHBondContact O-N 3.07Å; Y197-N199 VanDerWaalsContact C-N 3.25Å; Y197-N199 PolarHBondContact O-N 2.92Å; Y197-V200 PolarHBondContact O-N 3.19Å; Y197-V200 VanDerWaalsContact O-N 3.17Å; Y197-A201 HydrophobicContact CD1-CB 4.36Å; Y197-A201 HydrophobicContact CE1-CB 4.06Å; Y197-A201 WeakPolarHBondContact O-CB 3.39Å; Y197-A201 PolarHBondContact O-N 2.88Å |
| 198 | T | 94.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | D194 L195 Q202 K216 I217 | D194-T198 WeakPolarHBondContact O-CB 3.43Å; D194-T198 PolarHBondContact O-N 3.25Å; D194-T198 PolarHBondContact O-OG1 3.18Å; L195-T198 PolarHBondContact O-N 3.43Å; T198-Q202 WeakPolarHBondContact O-CG 3.3Å; T198-Q202 PolarHBondContact O-N 3.43Å; T198-K216 HydrophobicContact CG2-CB 3.61Å; T198-K216 HydrophobicContact CG2-CD 4.29Å; T198-I217 HydrophobicContact CG2-CD1 3.73Å; T198-I217 HydrophobicContact CG2-CG1 4.02Å |
| 199 | N | 91.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 177 | -179.2 | 56.6 | 0 | 0 | 0 | 113.6 | L63 L195 T196 Y197 W213 | L63-N199 HydrophobicContact CD1-CB 3.53Å; L63-N199 WeakPolarHBondContact CD1-OD1 3.3Å; L195-N199 WeakPolarHBondContact O-CB 3.37Å; L195-N199 PolarHBondContact O-N 3.31Å; T196-N199 PolarHBondContact O-N 3.28Å; Y197-N199 VanDerWaalsContact C-N 3.25Å; Y197-N199 PolarHBondContact O-N 2.92Å; N199-W213 PolarHBondContact OD1-NE1 3.15Å |
| 200 | V | 91 | Very high | 91 | Very high | 116 Ų | 116 | 63.6 Ų | 63.6 | 70% | 0.703 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80.3 | -33.8 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | T196 Y197 Q202 | T196-V200 WeakPolarHBondContact O-CG2 3.43Å; T196-V200 PolarHBondContact O-N 3.01Å; T196-V200 VanDerWaalsContact O-N 3.15Å; Y197-V200 PolarHBondContact O-N 3.19Å; Y197-V200 VanDerWaalsContact O-N 3.17Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.5Å |
| 201 | A | 90.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.8 | -14.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y197 | Y197-A201 HydrophobicContact CD1-CB 4.36Å; Y197-A201 HydrophobicContact CE1-CB 4.06Å; Y197-A201 WeakPolarHBondContact O-CB 3.39Å; Y197-A201 PolarHBondContact O-N 2.88Å |
| 202 | Q | 86.1 | Confident | 90.5 | Very high | 35 Ų | 35 | 71 Ų | 71 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -104.2 | 124.6 | -179.7 | -58.7 | -59 | -54.1 | 0 | 0 | 111.2 | T198 V200 W213 | T198-Q202 WeakPolarHBondContact O-CG 3.3Å; T198-Q202 PolarHBondContact O-N 3.43Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.5Å; Q202-W213 HydrophobicContact CB-CB 4.04Å; Q202-W213 HydrophobicContact CB-CG 4.34Å; Q202-W213 HydrophobicContact CG-CB 4.12Å; Q202-W213 HydrophobicContact CG-CG 4.49Å |
| 203 | P | 80 | Confident | 90.3 | Very high | 96 Ų | 96 | 72.1 Ų | 72.1 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 143.2 | 178.7 | 27.8 | -33.6 | 0 | 0 | 0 | 111.1 | T210 | P203-T210 WeakPolarHBondContact O-CG2 3.38Š|
| 204 | R | 85.1 | Confident | 90.2 | Very high | 153 Ų | 153 | 75.5 Ų | 75.5 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 128.2 | 171.9 | -65.4 | -169.2 | 175.5 | -154.3 | -0.1 | 110 | K208 | R204-K208 WeakPolarHBondContact CA-O 3.37Š|
| 205 | I | 83.6 | Confident | 90.2 | Very high | 107 Ų | 107 | 78.7 Ų | 78.7 | 55% | 0.549 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 120.5 | 174.5 | -59.8 | 178.1 | 0 | 0 | 0 | 107.3 | G207 K208 T210 | I205-G207 PolarHBondContact O-N 3.31Å; I205-K208 PolarHBondContact N-O 2.89Å; I205-K208 PolarHBondContact O-N 2.93Å; I205-T210 HydrophobicContact CB-CG2 4.44Å; I205-T210 HydrophobicContact CD1-CG2 3.6Å; I205-T210 HydrophobicContact CG1-CG2 3.67Å |
| 206 | N | 86.3 | Confident | 90.1 | Very high | 157 Ų | 157 | 83.1 Ų | 83.1 | 84% | 0.84 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 36.3 | -177.6 | -55.8 | -18 | 0 | 0 | 0 | 113.1 | K208 | N206-K208 PolarHBondContact O-N 3.46Š|
| 207 | G | 84.7 | Confident | 90.1 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -3.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I205 | I205-G207 PolarHBondContact O-N 3.31Š|
| 208 | K | 87.1 | Confident | 90.2 | Very high | 153 Ų | 153 | 76 Ų | 76 | 67% | 0.665 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -100.2 | 148.7 | -179.1 | -63.9 | -177.8 | -180 | -178.8 | 0 | 112 | R204 I205 N206 | R204-K208 WeakPolarHBondContact CA-O 3.37Å; I205-K208 PolarHBondContact N-O 2.89Å; I205-K208 PolarHBondContact O-N 2.93Å; N206-K208 PolarHBondContact O-N 3.46Å |
| 209 | P | 88.1 | Confident | 90.3 | Very high | 45 Ų | 45 | 78 Ų | 78 | 29% | 0.292 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.6 | 172 | -15.6 | 29 | 0 | 0 | 0 | 111.7 | W213 F214 | P209-W213 HydrophobicContact CB-CB 4.41Å; P209-W213 HydrophobicContact CB-CD2 3.76Å; P209-W213 HydrophobicContact CB-CE3 3.51Å; P209-W213 HydrophobicContact CB-CG 4.18Å; P209-W213 HydrophobicContact CB-CZ3 4.09Å; P209-W213 HydrophobicContact CG-CE3 4.26Å; P209-W213 HydrophobicContact CG-CZ3 4.36Å; P209-F214 HydrophobicContact CB-CD2 4.38Å; P209-F214 HydrophobicContact CB-CE2 3.78Å; P209-F214 HydrophobicContact CB-CZ 3.98Å; P209-F214 HydrophobicContact CG-CE2 4.36Å; P209-F214 HydrophobicContact CG-CZ 4.12Å |
| 210 | T | 91 | Very high | 90.6 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -82 | 160.1 | 177 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | P203 I205 I212 W213 F214 | P203-T210 WeakPolarHBondContact O-CG2 3.38Å; I205-T210 HydrophobicContact CB-CG2 4.44Å; I205-T210 HydrophobicContact CD1-CG2 3.6Å; I205-T210 HydrophobicContact CG1-CG2 3.67Å; T210-I212 PolarHBondContact O-N 3.37Å; T210-W213 WeakPolarHBondContact O-CB 3.47Å; T210-W213 PolarHBondContact O-N 3Å; T210-W213 PolarHBondContact OG1-N 3.37Å; T210-F214 VanDerWaalsContact O-CD2 3.23Å; T210-F214 WeakPolarHBondContact O-CD2 3.38Å; T210-F214 PolarHBondContact O-N 2.9Å; T210-F214 VanDerWaalsContact O-N 3.13Å |
| 211 | A | 91.9 | Very high | 91 | Very high | 77 Ų | 77 | 71.5 Ų | 71.5 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55.5 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | W213 F214 T215 | A211-W213 VanDerWaalsContact C-N 3.3Å; A211-W213 PolarHBondContact O-N 3.23Å; A211-F214 PolarHBondContact O-N 3.46Å; A211-F214 VanDerWaalsContact O-N 3.16Å; A211-T215 PolarHBondContact O-N 3.35Å; A211-T215 PolarHBondContact O-OG1 2.88Å; A211-T215 VanDerWaalsContact O-OG1 3.09Å |
| 212 | I | 92.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 73.2 Ų | 73.2 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.4 | -62 | 167.1 | 0 | 0 | 0 | 111.3 | T210 T215 K216 | T210-I212 PolarHBondContact O-N 3.37Å; I212-T215 PolarHBondContact O-N 3.44Å; I212-K216 HydrophobicContact CG2-CD 4.29Å; I212-K216 WeakPolarHBondContact O-CG 3.4Å; I212-K216 PolarHBondContact O-N 3.02Å |
| 213 | W | 93 | Very high | 91.8 | Very high | 26 Ų | 26 | 76.5 Ų | 76.5 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 175 | 178.7 | 95.2 | 0 | 0 | 0 | 111.1 | L63 N199 Q202 P209 T210 A211 T215 K216 I217 | L63-W213 HydrophobicContact CD1-CZ2 3.88Å; N199-W213 PolarHBondContact OD1-NE1 3.15Å; Q202-W213 HydrophobicContact CB-CB 4.04Å; Q202-W213 HydrophobicContact CB-CG 4.34Å; Q202-W213 HydrophobicContact CG-CB 4.12Å; Q202-W213 HydrophobicContact CG-CG 4.49Å; P209-W213 HydrophobicContact CB-CB 4.41Å; P209-W213 HydrophobicContact CB-CD2 3.76Å; P209-W213 HydrophobicContact CB-CE3 3.51Å; P209-W213 HydrophobicContact CB-CG 4.18Å; P209-W213 HydrophobicContact CB-CZ3 4.09Å; P209-W213 HydrophobicContact CG-CE3 4.26Å; P209-W213 HydrophobicContact CG-CZ3 4.36Å; T210-W213 WeakPolarHBondContact O-CB 3.47Å; T210-W213 PolarHBondContact O-N 3Å; T210-W213 PolarHBondContact OG1-N 3.37Å; A211-W213 VanDerWaalsContact C-N 3.3Å; A211-W213 PolarHBondContact O-N 3.23Å; W213-T215 PolarHBondContact O-N 3.27Å; W213-K216 PolarHBondContact O-N 3.41Å; W213-I217 HydrophobicContact CD2-CG1 3.81Å; W213-I217 HydrophobicContact CE3-CG1 4.18Å; W213-I217 HydrophobicContact CG-CG1 4.32Å; W213-I217 HydrophobicContact CH2-CG1 4.08Å; W213-I217 HydrophobicContact CH2-CG2 4.4Å; W213-I217 HydrophobicContact CZ2-CD1 4.26Å; W213-I217 HydrophobicContact CZ2-CG1 3.74Å; W213-I217 HydrophobicContact CZ3-CG1 4.28Å; W213-I217 WeakPolarHBondContact O-CB 3.15Å; W213-I217 WeakPolarHBondContact O-CG1 3.46Å; W213-I217 PolarHBondContact O-N 3.28Å |
| 214 | F | 93.6 | Very high | 92.6 | Very high | 99 Ų | 99 | 72 Ų | 72 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 178.1 | -75.2 | -73.3 | 0 | 0 | 0 | 111.6 | P209 T210 A211 K216 N218 | P209-F214 HydrophobicContact CB-CD2 4.38Å; P209-F214 HydrophobicContact CB-CE2 3.78Å; P209-F214 HydrophobicContact CB-CZ 3.98Å; P209-F214 HydrophobicContact CG-CE2 4.36Å; P209-F214 HydrophobicContact CG-CZ 4.12Å; T210-F214 VanDerWaalsContact O-CD2 3.23Å; T210-F214 WeakPolarHBondContact O-CD2 3.38Å; T210-F214 PolarHBondContact O-N 2.9Å; T210-F214 VanDerWaalsContact O-N 3.13Å; A211-F214 PolarHBondContact O-N 3.46Å; A211-F214 VanDerWaalsContact O-N 3.16Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 3.46Å; F214-N218 WeakPolarHBondContact O-CB 3.47Å; F214-N218 VanDerWaalsContact O-CG 3.27Å; F214-N218 PolarHBondContact O-N 3.47Å; F214-N218 PolarHBondContact O-ND2 3.43Å |
| 215 | T | 95.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 66.2 Ų | 66.2 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.8 | -45 | 178 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | A211 I212 W213 S219 | A211-T215 PolarHBondContact O-N 3.35Å; A211-T215 PolarHBondContact O-OG1 2.88Å; A211-T215 VanDerWaalsContact O-OG1 3.09Å; I212-T215 PolarHBondContact O-N 3.44Å; W213-T215 PolarHBondContact O-N 3.27Å; T215-S219 VanDerWaalsContact O-CB 3.27Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.15Å |
| 216 | K | 95.4 | Very high | 93.9 | Very high | 94 Ų | 94 | 66 Ų | 66 | 41% | 0.409 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -45.2 | -178.9 | -72.4 | -176.4 | 177.8 | -178 | 0 | 112.9 | T198 I212 W213 F214 S219 I220 | T198-K216 HydrophobicContact CG2-CB 3.61Å; T198-K216 HydrophobicContact CG2-CD 4.29Å; I212-K216 HydrophobicContact CG2-CD 4.29Å; I212-K216 WeakPolarHBondContact O-CG 3.4Å; I212-K216 PolarHBondContact O-N 3.02Å; W213-K216 PolarHBondContact O-N 3.41Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 3.46Å; K216-S219 PolarHBondContact O-N 3.42Å; K216-I220 WeakPolarHBondContact O-CG1 3.35Å; K216-I220 PolarHBondContact O-N 3.35Å |
| 217 | I | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 176.8 | -69.2 | -66.6 | 0 | 0 | 0 | 110 | L195 T198 W213 S219 I220 I221 | L195-I217 HydrophobicContact CD2-CD1 3.71Å; L195-I217 HydrophobicContact CD2-CG2 4.04Å; T198-I217 HydrophobicContact CG2-CD1 3.73Å; T198-I217 HydrophobicContact CG2-CG1 4.02Å; W213-I217 HydrophobicContact CD2-CG1 3.81Å; W213-I217 HydrophobicContact CE3-CG1 4.18Å; W213-I217 HydrophobicContact CG-CG1 4.32Å; W213-I217 HydrophobicContact CH2-CG1 4.08Å; W213-I217 HydrophobicContact CH2-CG2 4.4Å; W213-I217 HydrophobicContact CZ2-CD1 4.26Å; W213-I217 HydrophobicContact CZ2-CG1 3.74Å; W213-I217 HydrophobicContact CZ3-CG1 4.28Å; W213-I217 WeakPolarHBondContact O-CB 3.15Å; W213-I217 WeakPolarHBondContact O-CG1 3.46Å; W213-I217 PolarHBondContact O-N 3.28Å; I217-S219 VanDerWaalsContact C-N 3.33Å; I217-S219 PolarHBondContact O-N 3.27Å; I217-I220 PolarHBondContact O-N 3.5Å; I217-I221 HydrophobicContact CG2-CD1 3.79Å; I217-I221 HydrophobicContact CG2-CG1 4.49Å; I217-I221 WeakPolarHBondContact O-CG1 3.24Å; I217-I221 PolarHBondContact O-N 2.88Å |
| 218 | N | 96.8 | Very high | 95.1 | Very high | 56 Ų | 56 | 58 Ų | 58 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.7 | -75.9 | -31.7 | 0 | 0 | 0 | 111.7 | R57 F214 I220 I221 D222 | R57-N218 VanDerWaalsContact NH2-CB 3.32Å; R57-N218 VanDerWaalsContact NH2-CG 3.31Å; R57-N218 PolarHBondContact NH2-O 3.14Å; R57-N218 PolarHBondContact NH2-OD1 3.37Å; F214-N218 WeakPolarHBondContact O-CB 3.47Å; F214-N218 VanDerWaalsContact O-CG 3.27Å; F214-N218 PolarHBondContact O-N 3.47Å; F214-N218 PolarHBondContact O-ND2 3.43Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 PolarHBondContact O-N 3.43Å; N218-I221 CarbonylContact O-C 3.58Å; N218-I221 PolarHBondContact O-N 2.85Å; N218-I221 VanDerWaalsContact O-N 3.1Å; N218-D222 WeakPolarHBondContact O-CB 3.36Å; N218-D222 PolarHBondContact O-N 2.86Å; N218-D222 VanDerWaalsContact O-OD2 3.07Å |
| 219 | S | 97.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.5 | -36.4 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | T215 K216 I217 K223 | T215-S219 VanDerWaalsContact O-CB 3.27Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.15Å; K216-S219 PolarHBondContact O-N 3.42Å; I217-S219 VanDerWaalsContact C-N 3.33Å; I217-S219 PolarHBondContact O-N 3.27Å; S219-K223 WeakPolarHBondContact O-CG 3.48Å; S219-K223 PolarHBondContact O-N 3.37Å |
| 220 | I | 97.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.1 | -45.5 | 175.2 | -62.4 | 163.4 | 0 | 0 | 0 | 110.2 | Y191 D194 L195 K216 I217 N218 D222 K223 I224 | Y191-I220 HydrophobicContact CD1-CG2 4Å; D194-I220 HydrophobicContact CB-CD1 3.9Å; L195-I220 HydrophobicContact CD2-CB 3.95Å; L195-I220 HydrophobicContact CD2-CD1 4.12Å; L195-I220 HydrophobicContact CD2-CG2 3.9Å; L195-I220 HydrophobicContact CG-CB 4.48Å; L195-I220 HydrophobicContact CG-CG2 3.9Å; K216-I220 WeakPolarHBondContact O-CG1 3.35Å; K216-I220 PolarHBondContact O-N 3.35Å; I217-I220 PolarHBondContact O-N 3.5Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 PolarHBondContact O-N 3.43Å; I220-D222 VanDerWaalsContact C-N 3.32Å; I220-D222 PolarHBondContact O-N 3.27Å; I220-K223 WeakPolarHBondContact O-CB 3.36Å; I220-K223 PolarHBondContact O-N 2.89Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 3.22Å |
| 221 | I | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 178.9 | -60.5 | 169.9 | 0 | 0 | 0 | 111.1 | R57 F60 A61 L195 I217 N218 K223 I224 A225 | R57-I221 HydrophobicContact CB-CG2 4.25Å; R57-I221 HydrophobicContact CG-CG2 3.92Å; F60-I221 HydrophobicContact CB-CD1 3.82Å; F60-I221 HydrophobicContact CB-CG1 3.77Å; F60-I221 HydrophobicContact CD2-CG2 4.29Å; F60-I221 HydrophobicContact CG-CG1 4.46Å; A61-I221 HydrophobicContact CB-CD1 4.29Å; L195-I221 HydrophobicContact CD2-CG1 4.27Å; I217-I221 HydrophobicContact CG2-CD1 3.79Å; I217-I221 HydrophobicContact CG2-CG1 4.49Å; I217-I221 WeakPolarHBondContact O-CG1 3.24Å; I217-I221 PolarHBondContact O-N 2.88Å; N218-I221 CarbonylContact O-C 3.58Å; N218-I221 PolarHBondContact O-N 2.85Å; N218-I221 VanDerWaalsContact O-N 3.1Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.96Å; I221-I224 WeakPolarHBondContact O-CB 3.3Å; I221-I224 PolarHBondContact O-N 3.05Å; I221-A225 WeakPolarHBondContact O-CB 3.34Å; I221-A225 PolarHBondContact O-N 3.04Å |
| 222 | D | 98 | Very high | 96.7 | Very high | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 178.3 | -63.3 | -21.9 | 0 | 0 | 0 | 111 | R57 N218 I220 A225 Y226 | R57-D222 IonicContact CZ-OD1 3.83Å; R57-D222 IonicContact NH1-OD1 3.93Å; R57-D222 PolarHBondContact NH1-OD1 3.12Å; R57-D222 IonicContact NH2-OD1 2.9Å; R57-D222 PolarHBondContact NH2-OD1 3.43Å; N218-D222 WeakPolarHBondContact O-CB 3.36Å; N218-D222 PolarHBondContact O-N 2.86Å; N218-D222 VanDerWaalsContact O-OD2 3.07Å; I220-D222 VanDerWaalsContact C-N 3.32Å; I220-D222 PolarHBondContact O-N 3.27Å; D222-A225 PolarHBondContact O-N 3.23Å; D222-Y226 PolarHBondContact O-N 3.07Å |
| 223 | K | 96.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 171.5 | -72.5 | -179.4 | 179.7 | -168.7 | 0 | 112.3 | Y191 S219 I220 I221 Y226 F227 | Y191-K223 HydrophobicContact CE1-CB 4.11Å; S219-K223 WeakPolarHBondContact O-CG 3.48Å; S219-K223 PolarHBondContact O-N 3.37Å; I220-K223 WeakPolarHBondContact O-CB 3.36Å; I220-K223 PolarHBondContact O-N 2.89Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.96Å; K223-Y226 WeakPolarHBondContact O-CB 3.48Å; K223-Y226 PolarHBondContact O-N 3.36Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; K223-F227 PolarHBondContact O-N 3.16Å |
| 224 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.1 | -59.9 | 170.3 | 0 | 0 | 0 | 109.7 | F52 F60 L188 Y191 I220 I221 Y226 F227 Q228 | F52-I224 HydrophobicContact CE2-CG2 3.76Å; F52-I224 HydrophobicContact CZ-CG2 3.84Å; F60-I224 HydrophobicContact CD1-CD1 4.07Å; F60-I224 HydrophobicContact CD2-CD1 4.47Å; F60-I224 HydrophobicContact CE1-CD1 3.82Å; F60-I224 HydrophobicContact CE2-CD1 4.22Å; F60-I224 HydrophobicContact CE2-CG2 3.89Å; F60-I224 HydrophobicContact CG-CD1 4.39Å; F60-I224 HydrophobicContact CZ-CD1 3.89Å; F60-I224 HydrophobicContact CZ-CG2 3.82Å; L188-I224 HydrophobicContact CD1-CD1 4.46Å; Y191-I224 HydrophobicContact CD1-CD1 4.37Å; Y191-I224 HydrophobicContact CD1-CG1 3.81Å; Y191-I224 HydrophobicContact CE1-CG1 4.47Å; Y191-I224 HydrophobicContact CG-CD1 4.28Å; Y191-I224 HydrophobicContact CG-CG1 4Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 3.22Å; I221-I224 WeakPolarHBondContact O-CB 3.3Å; I221-I224 PolarHBondContact O-N 3.05Å; I224-Y226 VanDerWaalsContact C-N 3.28Å; I224-Y226 PolarHBondContact O-N 2.73Å; I224-F227 PolarHBondContact O-N 2.8Å; I224-Q228 HydrophobicContact CG2-CG 4.39Å; I224-Q228 WeakPolarHBondContact O-CG 3.2Å; I224-Q228 PolarHBondContact O-N 3.32Å |
| 225 | A | 97.8 | Very high | 97.2 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I221 D222 Q228 Q229 | I221-A225 WeakPolarHBondContact O-CB 3.34Å; I221-A225 PolarHBondContact O-N 3.04Å; D222-A225 PolarHBondContact O-N 3.23Å; A225-Q228 PolarHBondContact O-N 3.08Å; A225-Q229 PolarHBondContact O-NE2 3.09Å |
| 226 | Y | 97.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 169.1 | 173 | -103.7 | 0 | 0 | 0 | 111.2 | L182 D222 K223 I224 Q228 Q229 | L182-Y226 HydrophobicContact CD1-CE2 4.1Å; L182-Y226 HydrophobicContact CD2-CD1 4.1Å; L182-Y226 HydrophobicContact CD2-CE1 3.78Å; L182-Y226 WeakPolarHBondContact CD2-O 3.46Å; L182-Y226 HydrophobicContact CG-CE1 4.01Å; L182-Y226 HydrophobicContact CG-CE2 4.15Å; D222-Y226 PolarHBondContact O-N 3.07Å; K223-Y226 WeakPolarHBondContact O-CB 3.48Å; K223-Y226 PolarHBondContact O-N 3.36Å; I224-Y226 VanDerWaalsContact C-N 3.28Å; I224-Y226 PolarHBondContact O-N 2.73Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 2.96Å; Y226-Q229 WeakPolarHBondContact O-CB 3.48Å; Y226-Q229 PolarHBondContact O-N 3.25Å |
| 227 | F | 98.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.5 | -26.2 | 178.8 | -72.1 | -67.5 | 0 | 0 | 0 | 114 | F52 M177 I180 L182 P186 K223 I224 Q229 S230 | F52-F227 HydrophobicContact CE1-CB 3.93Å; F52-F227 HydrophobicContact CZ-CB 4.07Å; M177-F227 HydrophobicContact CE-CD1 3.88Å; M177-F227 HydrophobicContact CE-CD2 4.13Å; M177-F227 HydrophobicContact CE-CE1 3.36Å; M177-F227 HydrophobicContact CE-CE2 3.64Å; M177-F227 HydrophobicContact CE-CG 4.26Å; M177-F227 HydrophobicContact CE-CZ 3.24Å; I180-F227 HydrophobicContact CD1-CE1 4.32Å; I180-F227 HydrophobicContact CG1-CE1 4.32Å; L182-F227 HydrophobicContact CD2-CD1 3.91Å; L182-F227 HydrophobicContact CD2-CE1 4.49Å; P186-F227 HydrophobicContact CG-CB 4.03Å; P186-F227 HydrophobicContact CG-CD2 4.03Å; P186-F227 HydrophobicContact CG-CG 4.11Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; K223-F227 PolarHBondContact O-N 3.16Å; I224-F227 PolarHBondContact O-N 2.8Å; F227-Q229 PolarHBondContact O-N 2.92Å; F227-Q229 VanDerWaalsContact O-N 3.15Å; F227-S230 VanDerWaalsContact O-CB 3.28Å; F227-S230 WeakPolarHBondContact O-CB 3.3Å; F227-S230 PolarHBondContact O-N 3.14Å; F227-S230 PolarHBondContact O-OG 3.27Å |
| 228 | Q | 98.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 62.1 Ų | 62.1 | 16% | 0.159 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.7 | 174.3 | -72.9 | 179.1 | -56.4 | 0 | 0 | 113 | F52 K53 I55 I224 A225 Y226 S230 | F52-Q228 HydrophobicContact CD1-CG 4.07Å; F52-Q228 HydrophobicContact CE1-CB 4.37Å; F52-Q228 HydrophobicContact CE1-CG 3.71Å; F52-Q228 HydrophobicContact CE2-CG 4.22Å; F52-Q228 HydrophobicContact CG-CG 4.48Å; F52-Q228 HydrophobicContact CZ-CG 3.78Å; F52-Q228 PolarHBondContact O-NE2 2.93Å; K53-Q228 VanDerWaalsContact CE-O 3.22Å; K53-Q228 WeakPolarHBondContact CE-O 3.3Å; K53-Q228 WeakPolarHBondContact CG-O 3.35Å; I55-Q228 PolarHBondContact O-NE2 2.88Å; I224-Q228 HydrophobicContact CG2-CG 4.39Å; I224-Q228 WeakPolarHBondContact O-CG 3.2Å; I224-Q228 PolarHBondContact O-N 3.32Å; A225-Q228 PolarHBondContact O-N 3.08Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 2.96Å; Q228-S230 PolarHBondContact O-N 3.33Å |
| 229 | Q | 98 | Very high | 96.5 | Very high | 125 Ų | 125 | 62.3 Ų | 62.3 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.5 | 172.9 | -64.4 | 167.7 | 64.6 | 0 | 0 | 113.4 | L182 A225 Y226 F227 | L182-Q229 HydrophobicContact CD1-CB 3.84Å; A225-Q229 PolarHBondContact O-NE2 3.09Å; Y226-Q229 WeakPolarHBondContact O-CB 3.48Å; Y226-Q229 PolarHBondContact O-N 3.25Å; F227-Q229 PolarHBondContact O-N 2.92Å; F227-Q229 VanDerWaalsContact O-N 3.15Å |
| 230 | S | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -60 | 139.9 | 179.2 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | K53 L182 G184 F227 Q228 | K53-S230 WeakPolarHBondContact CE-O 3.36Å; K53-S230 PolarHBondContact NZ-O 3.4Å; L182-S230 WeakPolarHBondContact CD2-OG 3.41Å; G184-S230 PolarHBondContact N-OG 3.09Å; G184-S230 PolarHBondContact O-OG 3.25Å; F227-S230 VanDerWaalsContact O-CB 3.28Å; F227-S230 WeakPolarHBondContact O-CB 3.3Å; F227-S230 PolarHBondContact O-N 3.14Å; F227-S230 PolarHBondContact O-OG 3.27Å; Q228-S230 PolarHBondContact O-N 3.33Å | ||
| 231 | E | 97.5 | Very high | 96 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | trans | -130.8 | 137.9 | 174.3 | -66.4 | -173.2 | 171.2 | 0 | 0 | 109.8 | P183 | P183-E231 WeakPolarHBondContact CB-O 3.48Š| ||
| 232 | Y | 97.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | trans | -123.7 | 118 | 179.3 | -69.8 | -87.8 | 0 | 0 | 0 | 108.8 | T45 L49 F121 P183 G184 I185 F234 | T45-Y232 HydrophobicContact CG2-CD1 3.99Å; T45-Y232 HydrophobicContact CG2-CD2 3.8Å; T45-Y232 HydrophobicContact CG2-CE1 3.84Å; T45-Y232 HydrophobicContact CG2-CE2 3.65Å; T45-Y232 HydrophobicContact CG2-CG 3.95Å; L49-Y232 HydrophobicContact CD1-CD2 4.34Å; L49-Y232 HydrophobicContact CD1-CE2 4.28Å; L49-Y232 HydrophobicContact CD2-CD2 3.92Å; F121-Y232 HydrophobicContact CB-CE1 4.26Å; F121-Y232 VanDerWaalsContact O-CE1 3.26Å; F121-Y232 WeakPolarHBondContact O-CE1 3.47Å; F121-Y232 PolarHBondContact O-OH 3.43Å; P183-Y232 HydrophobicContact CB-CD1 4.3Å; P183-Y232 HydrophobicContact CB-CD2 4.39Å; P183-Y232 HydrophobicContact CB-CE1 3.91Å; P183-Y232 HydrophobicContact CB-CE2 4.02Å; P183-Y232 HydrophobicContact CG-CD1 4.25Å; P183-Y232 HydrophobicContact CG-CE1 3.94Å; G184-Y232 WeakPolarHBondContact CA-OH 3.37Å; I185-Y232 HydrophobicContact CD1-CE2 4.16Å; I185-Y232 HydrophobicContact CG1-CE2 4.08Å; Y232-F234 HydrophobicContact CD1-CD2 4.23Å; Y232-F234 HydrophobicContact CD1-CE1 4.49Å; Y232-F234 AromaticContact CD1-CE2 3.39Å; Y232-F234 HydrophobicContact CD1-CE2 3.39Å; Y232-F234 AromaticContact CD1-CZ 3.56Å; Y232-F234 HydrophobicContact CD1-CZ 3.56Å; Y232-F234 HydrophobicContact CE1-CE2 4.2Å; Y232-F234 HydrophobicContact CE1-CZ 4.31Å; Y232-F234 HydrophobicContact CG-CD2 4.31Å; Y232-F234 AromaticContact CG-CE2 3.9Å; Y232-F234 HydrophobicContact CG-CE2 3.9Å; Y232-F234 HydrophobicContact CG-CZ 4.39Å; Y232-F234 PolarHBondContact O-N 3.05Å | ||
| 233 | S | 95.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 91% | 0.909 | 31% | 0.314 | S | S | * | . | trans | -82.2 | 45.9 | 178.6 | -49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | F | 97.1 | Very high | 95 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 23% | 0.228 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 140.9 | 176.2 | -54.2 | -32.2 | 0 | 0 | 0 | 110.1 | K42 T45 L46 F121 Y232 | K42-F234 HydrophobicContact CB-CB 4.17Å; K42-F234 HydrophobicContact CB-CD2 3.9Å; K42-F234 HydrophobicContact CB-CG 4.06Å; K42-F234 HydrophobicContact CD-CB 4.44Å; K42-F234 HydrophobicContact CD-CD1 4.24Å; K42-F234 HydrophobicContact CD-CG 4.24Å; K42-F234 HydrophobicContact CG-CB 4.31Å; K42-F234 HydrophobicContact CG-CD1 4.09Å; K42-F234 HydrophobicContact CG-CD2 3.87Å; K42-F234 HydrophobicContact CG-CE1 4.38Å; K42-F234 HydrophobicContact CG-CE2 4.17Å; K42-F234 HydrophobicContact CG-CG 3.83Å; K42-F234 HydrophobicContact CG-CZ 4.41Å; T45-F234 HydrophobicContact CG2-CE2 4.18Å; L46-F234 HydrophobicContact CD1-CB 3.95Å; L46-F234 HydrophobicContact CD2-CB 4.17Å; L46-F234 HydrophobicContact CD2-CD2 4.47Å; L46-F234 HydrophobicContact CG-CB 4.16Å; L46-F234 HydrophobicContact CG-CD2 4.4Å; F121-F234 AromaticContact CD1-CZ 3.94Å; F121-F234 HydrophobicContact CD1-CZ 3.94Å; F121-F234 HydrophobicContact CD2-CE2 4.12Å; F121-F234 HydrophobicContact CD2-CZ 4.12Å; F121-F234 HydrophobicContact CE1-CZ 4.1Å; F121-F234 HydrophobicContact CE2-CE2 4.39Å; F121-F234 HydrophobicContact CE2-CZ 4.27Å; F121-F234 HydrophobicContact CG-CE2 4.29Å; F121-F234 AromaticContact CG-CZ 3.95Å; F121-F234 HydrophobicContact CG-CZ 3.95Å; F121-F234 HydrophobicContact CZ-CZ 4.26Å; Y232-F234 HydrophobicContact CD1-CD2 4.23Å; Y232-F234 HydrophobicContact CD1-CE1 4.49Å; Y232-F234 AromaticContact CD1-CE2 3.39Å; Y232-F234 HydrophobicContact CD1-CE2 3.39Å; Y232-F234 AromaticContact CD1-CZ 3.56Å; Y232-F234 HydrophobicContact CD1-CZ 3.56Å; Y232-F234 HydrophobicContact CE1-CE2 4.2Å; Y232-F234 HydrophobicContact CE1-CZ 4.31Å; Y232-F234 HydrophobicContact CG-CD2 4.31Å; Y232-F234 AromaticContact CG-CE2 3.9Å; Y232-F234 HydrophobicContact CG-CE2 3.9Å; Y232-F234 HydrophobicContact CG-CZ 4.39Å; Y232-F234 PolarHBondContact O-N 3.05Å |
| 235 | A | 95.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 140.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | Q43 | Q43-A235 PolarHBondContact NE2-O 2.79Š|
| 236 | V | 95.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -79 | 123.9 | 171.5 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | L46 N241 | L46-V236 HydrophobicContact CD1-CG2 3.94Å; V236-N241 HydrophobicContact CG1-CB 4.4Å |
| 237 | D | 93.8 | Very high | 93.5 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -94.3 | 107.2 | 166.5 | 176.9 | -34 | 0 | 0 | 0 | 106.9 | Q43 T239 L240 N241 | Q43-D237 VanDerWaalsContact CD-N 3.31Å; Q43-D237 HydrophobicContact CG-CB 4.21Å; Q43-D237 VanDerWaalsContact NE2-N 3.13Å; Q43-D237 VanDerWaalsContact OE1-N 3.13Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 WeakPolarHBondContact OD1-CA 3.49Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.09Å; D237-T239 PolarHBondContact OD1-N 3.38Å; D237-L240 HydrophobicContact CB-CB 4.15Å; D237-L240 HydrophobicContact CB-CD1 4.2Å; D237-L240 HydrophobicContact CB-CG 4.48Å; D237-L240 PolarHBondContact O-N 3Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD2-CD1 3.31Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.48Å; D237-N241 WeakPolarHBondContact O-CB 3.26Å; D237-N241 PolarHBondContact O-N 2.82Å | ||
| 238 | E | 91.5 | Very high | 92.3 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -30.5 | -175.3 | -63.3 | 84.2 | -179.2 | 0 | 0 | 112.5 | A242 | E238-A242 WeakPolarHBondContact O-CB 3.19Å; E238-A242 PolarHBondContact O-N 2.78Å |
| 239 | T | 90.1 | Very high | 91.4 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 37% | 0.368 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.2 | -48.3 | -178 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | V27 F29 D237 Y243 | V27-T239 HydrophobicContact CB-CG2 4.34Å; V27-T239 HydrophobicContact CG1-CG2 3.39Å; V27-T239 HydrophobicContact CG2-CG2 3.92Å; F29-T239 HydrophobicContact CZ-CG2 4.04Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 WeakPolarHBondContact OD1-CA 3.49Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.09Å; D237-T239 PolarHBondContact OD1-N 3.38Å; T239-Y243 WeakPolarHBondContact O-CB 3.34Å; T239-Y243 PolarHBondContact O-N 3.32Å |
| 240 | L | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70 | -39 | 177.1 | -73.9 | 172.7 | 0 | 0 | 0 | 112.4 | F29 V35 E39 F40 Q43 D237 Y243 L244 | F29-L240 HydrophobicContact CE1-CD2 4.27Å; F29-L240 HydrophobicContact CE2-CD2 3.65Å; F29-L240 HydrophobicContact CZ-CD2 3.44Å; F29-L240 VanDerWaalsContact CZ-CD2 3.44Å; F29-L240 HydrophobicContact CZ-CG 4.19Å; V35-L240 HydrophobicContact CB-CD2 4.48Å; V35-L240 HydrophobicContact CG1-CD1 3.64Å; V35-L240 HydrophobicContact CG1-CD2 3.98Å; V35-L240 HydrophobicContact CG1-CG 4.41Å; V35-L240 HydrophobicContact CG2-CD2 4.22Å; E39-L240 HydrophobicContact CB-CD1 4.19Å; E39-L240 HydrophobicContact CG-CD1 3.34Å; F40-L240 HydrophobicContact CE1-CD2 3.91Å; F40-L240 HydrophobicContact CE2-CD2 4.29Å; F40-L240 HydrophobicContact CZ-CD2 3.78Å; Q43-L240 HydrophobicContact CG-CB 3.9Å; Q43-L240 HydrophobicContact CG-CD1 4.27Å; D237-L240 HydrophobicContact CB-CB 4.15Å; D237-L240 HydrophobicContact CB-CD1 4.2Å; D237-L240 HydrophobicContact CB-CG 4.48Å; D237-L240 PolarHBondContact O-N 3Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD2-CD1 3.31Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.48Å; L240-Y243 PolarHBondContact O-N 3.4Å; L240-L244 WeakPolarHBondContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 3.11Å |
| 241 | N | 91.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 175.2 | -169.5 | -66.6 | 0 | 0 | 0 | 110.5 | I47 V236 D237 Y243 L244 C245 | I47-N241 WeakPolarHBondContact CG1-ND2 3.46Å; V236-N241 HydrophobicContact CG1-CB 4.4Å; D237-N241 WeakPolarHBondContact O-CB 3.26Å; D237-N241 PolarHBondContact O-N 2.82Å; N241-Y243 VanDerWaalsContact C-N 3.34Å; N241-Y243 PolarHBondContact O-N 3.45Å; N241-L244 PolarHBondContact O-N 3.5Å; N241-C245 VanDerWaalsContact O-CB 3.3Å; N241-C245 WeakPolarHBondContact O-CB 3.47Å; N241-C245 PolarHBondContact O-N 3.48Å; N241-C245 PolarHBondContact O-SG 3.06Å; N241-C245 PolarHBondContact OD1-SG 3.46Å |
| 242 | A | 89.1 | Confident | 88.9 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E238 C245 A246 | E238-A242 WeakPolarHBondContact O-CB 3.19Å; E238-A242 PolarHBondContact O-N 2.78Å; A242-C245 PolarHBondContact O-N 2.91Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.11Å |
| 243 | Y | 91 | Very high | 88.3 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.3 | 169.8 | -103.1 | 0 | 0 | 0 | 113.4 | V27 F29 I32 F40 W90 E94 T239 L240 N241 A246 Q247 | V27-Y243 WeakPolarHBondContact O-CD2 3.44Å; F29-Y243 AromaticContact CD2-CD1 3.85Å; F29-Y243 HydrophobicContact CD2-CD1 3.85Å; F29-Y243 AromaticContact CD2-CD2 3.62Å; F29-Y243 HydrophobicContact CD2-CD2 3.62Å; F29-Y243 HydrophobicContact CD2-CE1 4.22Å; F29-Y243 HydrophobicContact CD2-CE2 4Å; F29-Y243 AromaticContact CD2-CG 3.52Å; F29-Y243 HydrophobicContact CD2-CG 3.52Å; F29-Y243 HydrophobicContact CE2-CD1 4.08Å; F29-Y243 HydrophobicContact CE2-CD2 4.22Å; F29-Y243 AromaticContact CE2-CG 3.72Å; F29-Y243 HydrophobicContact CE2-CG 3.72Å; I32-Y243 HydrophobicContact CG2-CE1 3.9Å; I32-Y243 VanDerWaalsContact CG2-OH 3.27Å; I32-Y243 WeakPolarHBondContact CG2-OH 3.43Å; F40-Y243 HydrophobicContact CE1-CD1 4.09Å; F40-Y243 HydrophobicContact CE1-CE1 4.02Å; F40-Y243 HydrophobicContact CZ-CE1 4.3Å; W90-Y243 HydrophobicContact CZ2-CE1 4.2Å; W90-Y243 AromaticContact NE1-CE1 3.84Å; W90-Y243 AromaticContact NE1-CZ 3.91Å; W90-Y243 PolarHBondContact NE1-OH 3.15Å; E94-Y243 PolarHBondContact OE1-OH 3.46Å; T239-Y243 WeakPolarHBondContact O-CB 3.34Å; T239-Y243 PolarHBondContact O-N 3.32Å; L240-Y243 PolarHBondContact O-N 3.4Å; N241-Y243 VanDerWaalsContact C-N 3.34Å; N241-Y243 PolarHBondContact O-N 3.45Å; Y243-A246 PolarHBondContact O-N 3.03Å; Y243-Q247 VanDerWaalsContact CZ-NE2 3.31Å; Y243-Q247 WeakPolarHBondContact O-CG 3.48Å; Y243-Q247 PolarHBondContact O-N 2.99Å; Y243-Q247 PolarHBondContact O-NE2 3.15Å |
| 244 | L | 92.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 178.6 | -73.8 | 170 | 0 | 0 | 0 | 111.3 | F40 Q43 I44 I47 W83 Q86 W90 L240 N241 A246 Q247 | F40-L244 HydrophobicContact CD1-CD1 4.38Å; F40-L244 HydrophobicContact CD1-CD2 4.11Å; F40-L244 HydrophobicContact CD1-CG 4.47Å; F40-L244 HydrophobicContact CE1-CD2 4.19Å; F40-L244 HydrophobicContact CE1-CG 4.49Å; Q43-L244 HydrophobicContact CB-CD1 3.81Å; I44-L244 HydrophobicContact CG1-CD1 3.85Å; I44-L244 HydrophobicContact CG1-CD2 4.24Å; I47-L244 HydrophobicContact CD1-CB 3.9Å; I47-L244 HydrophobicContact CD1-CD1 4.03Å; W83-L244 HydrophobicContact CH2-CB 4.23Å; Q86-L244 PolarHBondContact NE2-O 3.15Å; W90-L244 HydrophobicContact CH2-CD2 4Å; W90-L244 HydrophobicContact CZ2-CD2 4.12Å; W90-L244 HydrophobicContact CZ3-CD2 4.22Å; L240-L244 WeakPolarHBondContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 3.11Å; N241-L244 PolarHBondContact O-N 3.5Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.47Å; L244-Q247 WeakPolarHBondContact O-CB 3.15Å; L244-Q247 PolarHBondContact O-N 3.38Å; L244-Q247 VanDerWaalsContact O-N 3.15Å |
| 245 | C | 89.5 | Confident | 87.4 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -32 | 174.9 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | N241 A242 Q247 | N241-C245 VanDerWaalsContact O-CB 3.3Å; N241-C245 WeakPolarHBondContact O-CB 3.47Å; N241-C245 PolarHBondContact O-N 3.48Å; N241-C245 PolarHBondContact O-SG 3.06Å; N241-C245 PolarHBondContact OD1-SG 3.46Å; A242-C245 PolarHBondContact O-N 2.91Å; C245-Q247 VanDerWaalsContact C-N 3.25Å; C245-Q247 PolarHBondContact O-N 2.94Å |
| 246 | A | 87.4 | Confident | 87 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -12 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A242 Y243 L244 R248 | A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.11Å; Y243-A246 PolarHBondContact O-N 3.03Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.47Å; A246-R248 WeakPolarHBondContact O-CG 3.37Å; A246-R248 PolarHBondContact O-N 3.44Å |
| 247 | Q | 84.4 | Confident | 86.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -66.9 | 98.2 | 176.1 | -61 | -50.6 | -50 | 0 | 0 | 110.5 | Q86 W90 Y243 L244 C245 Y249 | Q86-Q247 HydrophobicContact CG-CB 4.1Å; Q86-Q247 WeakPolarHBondContact CG-O 3.46Å; Q86-Q247 PolarHBondContact NE2-O 2.54Å; Q86-Q247 PolarHBondContact OE1-O 3.02Å; W90-Q247 HydrophobicContact CB-CB 4.45Å; W90-Q247 HydrophobicContact CB-CG 4.31Å; W90-Q247 HydrophobicContact CG-CG 3.96Å; Y243-Q247 VanDerWaalsContact CZ-NE2 3.31Å; Y243-Q247 WeakPolarHBondContact O-CG 3.48Å; Y243-Q247 PolarHBondContact O-N 2.99Å; Y243-Q247 PolarHBondContact O-NE2 3.15Å; L244-Q247 WeakPolarHBondContact O-CB 3.15Å; L244-Q247 PolarHBondContact O-N 3.38Å; L244-Q247 VanDerWaalsContact O-N 3.15Å; C245-Q247 VanDerWaalsContact C-N 3.25Å; C245-Q247 PolarHBondContact O-N 2.94Å; Q247-Y249 PolarHBondContact O-N 2.79Å |
| 248 | R | 72.5 | Confident | 86.5 | Confident | 173 Ų | 173 | 63.6 Ų | 63.6 | 65% | 0.653 | 32% | 0.315 | S | S | * | . | trans | -74 | 121.7 | -173.3 | -55.5 | -178.9 | 73.3 | 103.7 | 1.1 | 111.6 | A246 | A246-R248 WeakPolarHBondContact O-CG 3.37Å; A246-R248 PolarHBondContact O-N 3.44Å | ||
| 249 | Y | 80.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | trans | -120 | 134.7 | 163.3 | 171.2 | -106 | 0 | 0 | 0 | 111.1 | R82 N85 Q86 F89 Q247 E251 Q254 | R82-Y249 HydrophobicContact CG-CD1 3.67Å; R82-Y249 HydrophobicContact CG-CE1 4.04Å; R82-Y249 PolarHBondContact NE-O 3.13Å; R82-Y249 PolarHBondContact NH2-O 2.63Å; R82-Y249 WeakPolarHBondContact O-CD1 3.43Å; N85-Y249 HydrophobicContact CB-CD1 3.89Å; N85-Y249 HydrophobicContact CB-CD2 4.43Å; N85-Y249 HydrophobicContact CB-CE1 3.39Å; N85-Y249 HydrophobicContact CB-CE2 3.98Å; N85-Y249 HydrophobicContact CB-CG 4.39Å; N85-Y249 VanDerWaalsContact CB-CZ 3.42Å; N85-Y249 PolarHBondContact ND2-OH 3.36Å; N85-Y249 VanDerWaalsContact ND2-OH 3.11Å; Q86-Y249 HydrophobicContact CB-CG 4.47Å; F89-Y249 AromaticContact CD2-CD2 3.37Å; F89-Y249 HydrophobicContact CD2-CD2 3.37Å; F89-Y249 AromaticContact CD2-CE2 3.36Å; F89-Y249 HydrophobicContact CD2-CE2 3.36Å; F89-Y249 HydrophobicContact CD2-CG 4.46Å; F89-Y249 AromaticContact CE2-CD2 3.86Å; F89-Y249 HydrophobicContact CE2-CD2 3.86Å; F89-Y249 AromaticContact CE2-CE2 3.33Å; F89-Y249 HydrophobicContact CE2-CE2 3.33Å; F89-Y249 HydrophobicContact CG-CD2 4.2Å; F89-Y249 HydrophobicContact CZ-CE2 4.46Å; Q247-Y249 PolarHBondContact O-N 2.79Å; Y249-E251 HydrophobicContact CE1-CB 4.37Å; Y249-Q254 HydrophobicContact CE2-CB 4.41Å; Y249-Q254 PolarHBondContact OH-OE1 2.84Å | ||
| 250 | I | 80.4 | Confident | 86.6 | Confident | 62 Ų | 62 | 62 Ų | 62 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | trans | -128.3 | 116.8 | 179 | -60 | 175.7 | 0 | 0 | 0 | 107 | E252 L253 | I250-E252 VanDerWaalsContact C-N 3.3Å; I250-E252 HydrophobicContact CG2-CB 4.5Å; I250-E252 WeakPolarHBondContact CG2-OE2 3.35Å; I250-E252 PolarHBondContact O-N 3.44Å; I250-L253 HydrophobicContact CB-CB 4.3Å; I250-L253 HydrophobicContact CB-CD1 4.12Å; I250-L253 HydrophobicContact CB-CG 4.15Å; I250-L253 HydrophobicContact CD1-CD1 3.93Å; I250-L253 HydrophobicContact CG2-CB 4.42Å; I250-L253 HydrophobicContact CG2-CD1 4.22Å; I250-L253 HydrophobicContact CG2-CG 3.93Å; I250-L253 PolarHBondContact O-N 3.15Å; I250-L253 VanDerWaalsContact O-N 3.08Å | ||
| 251 | E | 78.9 | Confident | 86.8 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -58.5 | -41.9 | -173.5 | -167.8 | -175.8 | 161.2 | 0 | 0 | 111.9 | K70 Y249 L253 Q254 | K70-E251 IonicContact NZ-OE1 3.83Å; K70-E251 PolarHBondContact NZ-OE1 2.82Å; K70-E251 IonicContact NZ-OE2 3.58Å; K70-E251 PolarHBondContact NZ-OE2 2.93Å; Y249-E251 HydrophobicContact CE1-CB 4.37Å; E251-L253 PolarHBondContact O-N 2.91Å; E251-L253 VanDerWaalsContact O-N 3.15Å; E251-Q254 WeakPolarHBondContact O-CB 3.4Å; E251-Q254 PolarHBondContact O-N 2.73Å; E251-Q254 VanDerWaalsContact O-N 3.09Å |
| 252 | E | 81.8 | Confident | 87 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -67.8 | -16.2 | -178.6 | -56.6 | 87.7 | 162.3 | 0 | 0 | 113.5 | I250 | I250-E252 VanDerWaalsContact C-N 3.3Å; I250-E252 HydrophobicContact CG2-CB 4.5Å; I250-E252 WeakPolarHBondContact CG2-OE2 3.35Å; I250-E252 PolarHBondContact O-N 3.44Å |
| 253 | L | 85.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -98.4 | -1.5 | 177.3 | -61.5 | -175.7 | 0 | 0 | 0 | 113.1 | I250 E251 K255 F256 L257 | I250-L253 HydrophobicContact CB-CB 4.3Å; I250-L253 HydrophobicContact CB-CD1 4.12Å; I250-L253 HydrophobicContact CB-CG 4.15Å; I250-L253 HydrophobicContact CD1-CD1 3.93Å; I250-L253 HydrophobicContact CG2-CB 4.42Å; I250-L253 HydrophobicContact CG2-CD1 4.22Å; I250-L253 HydrophobicContact CG2-CG 3.93Å; I250-L253 PolarHBondContact O-N 3.15Å; I250-L253 VanDerWaalsContact O-N 3.08Å; E251-L253 PolarHBondContact O-N 2.91Å; E251-L253 VanDerWaalsContact O-N 3.15Å; L253-K255 VanDerWaalsContact C-N 3.34Å; L253-K255 PolarHBondContact O-N 3.34Å; L253-F256 WeakPolarHBondContact O-CB 3.46Å; L253-F256 PolarHBondContact O-N 3.12Å; L253-L257 PolarHBondContact O-N 3.42Å |
| 254 | Q | 86.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -50.1 | -50.6 | -175.7 | 172.8 | 163.8 | -18.6 | 0 | 0 | 112.8 | F89 Y249 E251 F256 L257 E258 | F89-Q254 HydrophobicContact CE2-CG 4.03Å; F89-Q254 HydrophobicContact CZ-CG 3.87Å; Y249-Q254 HydrophobicContact CE2-CB 4.41Å; Y249-Q254 PolarHBondContact OH-OE1 2.84Å; E251-Q254 WeakPolarHBondContact O-CB 3.4Å; E251-Q254 PolarHBondContact O-N 2.73Å; E251-Q254 VanDerWaalsContact O-N 3.09Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.19Å; Q254-L257 PolarHBondContact O-N 3.14Å; Q254-L257 VanDerWaalsContact O-N 3.14Å; Q254-E258 HydrophobicContact CG-CG 4.36Å; Q254-E258 VanDerWaalsContact CG-OE1 3.26Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.41Å; Q254-E258 PolarHBondContact NE2-OE1 2.91Å; Q254-E258 WeakPolarHBondContact O-CG 3.44Å; Q254-E258 PolarHBondContact O-N 2.91Å |
| 255 | K | 85.8 | Confident | 87.8 | Confident | 148 Ų | 148 | 71.2 Ų | 71.2 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.9 | -39.8 | -180 | -176.5 | 179.2 | 177.6 | -179.4 | 0 | 112.7 | L253 E259 | L253-K255 VanDerWaalsContact C-N 3.34Å; L253-K255 PolarHBondContact O-N 3.34Å; K255-E259 WeakPolarHBondContact CE-OE1 3.46Å; K255-E259 WeakPolarHBondContact O-CG 3.26Å; K255-E259 PolarHBondContact O-N 2.99Å; K255-E259 VanDerWaalsContact O-N 3.09Å |
| 256 | F | 87.8 | Confident | 88.1 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 43% | 0.425 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 179.2 | 178.7 | -97.9 | 0 | 0 | 0 | 111.3 | L253 Q254 E259 D260 | L253-F256 WeakPolarHBondContact O-CB 3.46Å; L253-F256 PolarHBondContact O-N 3.12Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.19Å; F256-E259 PolarHBondContact O-N 3.49Å; F256-D260 WeakPolarHBondContact CE1-OD2 3.41Å; F256-D260 WeakPolarHBondContact CZ-OD2 3.45Å; F256-D260 WeakPolarHBondContact O-CB 3.29Å; F256-D260 PolarHBondContact O-N 3.45Å |
| 257 | L | 87.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176 | -66.2 | 170.9 | 0 | 0 | 0 | 111.6 | F89 L253 Q254 D260 N261 | F89-L257 HydrophobicContact CD1-CB 4.14Å; F89-L257 HydrophobicContact CD1-CD1 4.39Å; F89-L257 HydrophobicContact CE1-CB 3.65Å; F89-L257 HydrophobicContact CE1-CD1 4.41Å; F89-L257 HydrophobicContact CZ-CB 4.23Å; L253-L257 PolarHBondContact O-N 3.42Å; Q254-L257 PolarHBondContact O-N 3.14Å; Q254-L257 VanDerWaalsContact O-N 3.14Å; L257-D260 PolarHBondContact O-N 2.99Å; L257-N261 VanDerWaalsContact O-CB 3.26Å; L257-N261 WeakPolarHBondContact O-CB 3.45Å; L257-N261 PolarHBondContact O-N 3.47Å; L257-N261 PolarHBondContact O-OD1 3.32Å |
| 258 | E | 91.4 | Very high | 89 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.4 | -71.4 | 171.2 | -179.5 | 0 | 0 | 112 | F89 Q254 D260 Y262 F337 | F89-E258 HydrophobicContact CE1-CG 4.2Å; F89-E258 HydrophobicContact CZ-CG 3.93Å; Q254-E258 HydrophobicContact CG-CG 4.36Å; Q254-E258 VanDerWaalsContact CG-OE1 3.26Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.41Å; Q254-E258 PolarHBondContact NE2-OE1 2.91Å; Q254-E258 WeakPolarHBondContact O-CG 3.44Å; Q254-E258 PolarHBondContact O-N 2.91Å; E258-D260 PolarHBondContact O-N 3.38Å; E258-Y262 WeakPolarHBondContact O-CB 3.31Å; E258-Y262 PolarHBondContact O-N 3.35Å; E258-F337 HydrophobicContact CG-CE1 4.23Å; E258-F337 WeakPolarHBondContact OE1-CE1 3.46Å |
| 259 | E | 91.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.7 | -75.3 | 177.3 | -161.1 | 0 | 0 | 112.2 | K255 F256 Y262 K263 | K255-E259 WeakPolarHBondContact CE-OE1 3.46Å; K255-E259 WeakPolarHBondContact O-CG 3.26Å; K255-E259 PolarHBondContact O-N 2.99Å; K255-E259 VanDerWaalsContact O-N 3.09Å; F256-E259 PolarHBondContact O-N 3.49Å; E259-Y262 PolarHBondContact O-N 3.06Å; E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.48Å; E259-K263 PolarHBondContact O-N 3.14Å |
| 260 | D | 92.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74 | -37.6 | -178.8 | -78.2 | -0.1 | 0 | 0 | 0 | 112.3 | F256 L257 E258 Y262 K263 T264 | F256-D260 WeakPolarHBondContact CE1-OD2 3.41Å; F256-D260 WeakPolarHBondContact CZ-OD2 3.45Å; F256-D260 WeakPolarHBondContact O-CB 3.29Å; F256-D260 PolarHBondContact O-N 3.45Å; L257-D260 PolarHBondContact O-N 2.99Å; E258-D260 PolarHBondContact O-N 3.38Å; D260-Y262 VanDerWaalsContact C-N 3.33Å; D260-Y262 PolarHBondContact O-N 3.3Å; D260-K263 PolarHBondContact O-N 3.19Å; D260-K263 IonicContact OD1-NZ 3.12Å; D260-K263 PolarHBondContact OD1-NZ 2.7Å; D260-K263 VanDerWaalsContact OD1-NZ 3.11Å; D260-T264 WeakPolarHBondContact O-CB 3.37Å; D260-T264 PolarHBondContact O-N 3.12Å; D260-T264 PolarHBondContact O-OG1 3.5Å |
| 261 | N | 95 | Very high | 91.1 | Very high | 22 Ų | 22 | 72.9 Ų | 72.9 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 171.4 | -75.7 | -3.2 | 0 | 0 | 0 | 110.9 | Q92 L96 C138 L257 T264 S265 | Q92-N261 PolarHBondContact OE1-ND2 2.92Å; L96-N261 HydrophobicContact CD1-CB 3.59Å; C138-N261 HydrophobicContact CB-CB 4.21Å; L257-N261 VanDerWaalsContact O-CB 3.26Å; L257-N261 WeakPolarHBondContact O-CB 3.45Å; L257-N261 PolarHBondContact O-N 3.47Å; L257-N261 PolarHBondContact O-OD1 3.32Å; N261-T264 PolarHBondContact O-N 2.88Å; N261-S265 PolarHBondContact O-N 3.05Å |
| 262 | Y | 96.1 | Very high | 91.3 | Very high | 96 Ų | 96 | 74 Ų | 74 | 38% | 0.376 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 176.8 | -174.7 | -107.6 | 0 | 0 | 0 | 112.2 | E137 E258 E259 D260 T264 S265 L266 | E137-Y262 HydrophobicContact CG-CD2 4.03Å; E137-Y262 HydrophobicContact CG-CE2 3.62Å; E258-Y262 WeakPolarHBondContact O-CB 3.31Å; E258-Y262 PolarHBondContact O-N 3.35Å; E259-Y262 PolarHBondContact O-N 3.06Å; D260-Y262 VanDerWaalsContact C-N 3.33Å; D260-Y262 PolarHBondContact O-N 3.3Å; Y262-T264 VanDerWaalsContact C-N 3.31Å; Y262-T264 PolarHBondContact O-N 2.86Å; Y262-S265 PolarHBondContact O-N 3.02Å; Y262-S265 VanDerWaalsContact O-N 3.17Å; Y262-S265 PolarHBondContact O-OG 3.21Å; Y262-L266 HydrophobicContact CD1-CD1 4.01Å; Y262-L266 HydrophobicContact CE1-CD1 3.63Å; Y262-L266 HydrophobicContact CE1-CG 4.19Å; Y262-L266 PolarHBondContact O-N 3.32Å |
| 263 | K | 96.2 | Very high | 91.2 | Very high | 99 Ų | 99 | 73 Ų | 73 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 174.2 | -71.2 | 167.6 | -159.8 | 152 | 0 | 111.9 | E259 D260 S265 L266 I267 | E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.48Å; E259-K263 PolarHBondContact O-N 3.14Å; D260-K263 PolarHBondContact O-N 3.19Å; D260-K263 IonicContact OD1-NZ 3.12Å; D260-K263 PolarHBondContact OD1-NZ 2.7Å; D260-K263 VanDerWaalsContact OD1-NZ 3.11Å; K263-S265 VanDerWaalsContact C-N 3.31Å; K263-S265 PolarHBondContact O-N 3.09Å; K263-L266 WeakPolarHBondContact O-CB 3.44Å; K263-L266 PolarHBondContact O-N 3.45Å; K263-I267 WeakPolarHBondContact O-CG1 3.42Å; K263-I267 PolarHBondContact O-N 3.07Å; K263-I267 VanDerWaalsContact O-N 3.12Å |
| 264 | T | 95.7 | Very high | 90.5 | Very high | 54 Ų | 54 | 76.3 Ų | 76.3 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | L96 D260 N261 Y262 L266 I267 L268 | L96-T264 HydrophobicContact CB-CG2 4.2Å; D260-T264 WeakPolarHBondContact O-CB 3.37Å; D260-T264 PolarHBondContact O-N 3.12Å; D260-T264 PolarHBondContact O-OG1 3.5Å; N261-T264 PolarHBondContact O-N 2.88Å; Y262-T264 VanDerWaalsContact C-N 3.31Å; Y262-T264 PolarHBondContact O-N 2.86Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 3.35Å; T264-I267 WeakPolarHBondContact O-CB 3.32Å; T264-I267 PolarHBondContact O-N 2.91Å; T264-I267 VanDerWaalsContact O-N 3.11Å; T264-L268 HydrophobicContact CG2-CD1 4.08Å; T264-L268 HydrophobicContact CG2-CG 4.34Å; T264-L268 VanDerWaalsContact O-CG 3.3Å; T264-L268 WeakPolarHBondContact O-CG 3.36Å; T264-L268 PolarHBondContact O-N 3.48Å |
| 265 | S | 97.2 | Very high | 89 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 176.9 | 78.3 | 0 | 0 | 0 | 0 | 113.8 | C138 R141 N261 Y262 K263 L268 E269 | C138-S265 WeakPolarHBondContact O-CB 3.38Å; R141-S265 WeakPolarHBondContact CD-OG 3.44Å; R141-S265 PolarHBondContact NH1-O 3.2Å; N261-S265 PolarHBondContact O-N 3.05Å; Y262-S265 PolarHBondContact O-N 3.02Å; Y262-S265 VanDerWaalsContact O-N 3.17Å; Y262-S265 PolarHBondContact O-OG 3.21Å; K263-S265 VanDerWaalsContact C-N 3.31Å; K263-S265 PolarHBondContact O-N 3.09Å; S265-L268 PolarHBondContact O-N 3.41Å; S265-E269 PolarHBondContact O-N 3.37Å |
| 266 | L | 95.7 | Very high | 87.5 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 29% | 0.288 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 175.3 | -73.1 | 170.6 | 0 | 0 | 0 | 112.2 | Y262 K263 T264 E269 P270 P271 | Y262-L266 HydrophobicContact CD1-CD1 4.01Å; Y262-L266 HydrophobicContact CE1-CD1 3.63Å; Y262-L266 HydrophobicContact CE1-CG 4.19Å; Y262-L266 PolarHBondContact O-N 3.32Å; K263-L266 WeakPolarHBondContact O-CB 3.44Å; K263-L266 PolarHBondContact O-N 3.45Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 3.35Å; L266-E269 CarbonylContact O-C 3.42Å; L266-P270 WeakPolarHBondContact O-CA 3.43Å; L266-P271 HydrophobicContact CD2-CG 4.05Å |
| 267 | I | 95.6 | Very high | 85.7 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 70% | 0.697 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.9 | -41.4 | 175.1 | -64.7 | 165.6 | 0 | 0 | 0 | 110.2 | K263 T264 | K263-I267 WeakPolarHBondContact O-CG1 3.42Å; K263-I267 PolarHBondContact O-N 3.07Å; K263-I267 VanDerWaalsContact O-N 3.12Å; T264-I267 WeakPolarHBondContact O-CB 3.32Å; T264-I267 PolarHBondContact O-N 2.91Å; T264-I267 VanDerWaalsContact O-N 3.11Å |
| 268 | L | 95.9 | Very high | 83.7 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 19% | 0.194 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.6 | -41.2 | -178 | -67.6 | 175.4 | 0 | 0 | 0 | 113.3 | L96 L142 T264 S265 | L96-L268 HydrophobicContact CB-CD1 4.42Å; L96-L268 HydrophobicContact CD2-CD1 3.73Å; L142-L268 HydrophobicContact CD2-CB 4.47Å; T264-L268 HydrophobicContact CG2-CD1 4.08Å; T264-L268 HydrophobicContact CG2-CG 4.34Å; T264-L268 VanDerWaalsContact O-CG 3.3Å; T264-L268 WeakPolarHBondContact O-CG 3.36Å; T264-L268 PolarHBondContact O-N 3.48Å; S265-L268 PolarHBondContact O-N 3.41Å |
| 269 | E | 95.2 | Very high | 81.4 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 5% | 0.047 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -139 | 89.6 | 177.2 | -65.7 | -172.2 | -155.4 | 0 | 0 | 110.2 | R104 R141 L142 R143 H144 T145 S265 L266 | R104-E269 IonicContact CZ-OE1 3.61Å; R104-E269 IonicContact NE-OE1 3Å; R104-E269 IonicContact NH2-OE1 3.35Å; R104-E269 PolarHBondContact NH2-OE1 2.85Å; R141-E269 PolarHBondContact NH1-O 3.28Å; R141-E269 PolarHBondContact NH2-O 3.28Å; R141-E269 VanDerWaalsContact NH2-O 3.08Å; L142-E269 VanDerWaalsContact CA-OE2 3.25Å; L142-E269 WeakPolarHBondContact CA-OE2 3.44Å; L142-E269 HydrophobicContact CD2-CB 3.99Å; L142-E269 HydrophobicContact CD2-CG 3.97Å; R143-E269 PolarHBondContact N-OE2 3.47Å; H144-E269 WeakPolarHBondContact CB-OE2 3.49Å; H144-E269 IonicContact CD2-OE2 3.21Å; H144-E269 PolarHBondContact CD2-OE2 2.61Å; H144-E269 IonicContact CG-OE2 2.83Å; H144-E269 PolarHBondContact N-OE2 2.96Å; T145-E269 PolarHBondContact N-OE1 3.15Å; T145-E269 VanDerWaalsContact N-OE1 3.09Å; T145-E269 PolarHBondContact OG1-OE1 3.47Å; S265-E269 PolarHBondContact O-N 3.37Å; L266-E269 CarbonylContact O-C 3.42Å |
| 270 | P | 92.5 | Very high | 79.1 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 148.5 | 178.5 | -25.5 | 34.5 | 0 | 0 | 0 | 112 | L266 | L266-P270 WeakPolarHBondContact O-CA 3.43Š|
| 271 | P | 89.3 | Confident | 76.6 | Confident | 78 Ų | 78 | 93 Ų | 93 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 147.3 | 172 | -22.6 | 32.7 | 0 | 0 | 0 | 111.4 | L266 T273 | L266-P271 HydrophobicContact CD2-CG 4.05Å; P271-T273 PolarHBondContact O-N 2.73Å |
| 272 | P | 82.2 | Confident | 73.7 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 66% | 0.662 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 126.8 | 174.2 | -20.8 | 30.6 | 0 | 0 | 0 | 109.9 | L274 | P272-L274 PolarHBondContact O-N 2.84Å; P272-L274 VanDerWaalsContact O-N 3.16Å |
| 273 | T | 79.8 | Confident | 70.9 | Confident | 137 Ų | 137 | 99.8 Ų | 99.8 | 84% | 0.84 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.8 | 173.4 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | P271 | P271-T273 PolarHBondContact O-N 2.73Š|
| 274 | L | 70.7 | Confident | 67.9 | Low | 150 Ų | 150 | 103.8 Ų | 103.8 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -54 | 139.6 | 168 | -73.6 | 164.6 | 0 | 0 | 0 | 108.2 | P272 T276 | P272-L274 PolarHBondContact O-N 2.84Å; P272-L274 VanDerWaalsContact O-N 3.16Å; L274-T276 PolarHBondContact O-N 3.11Å |
| 275 | P | 55.1 | Low | 64.9 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -55.4 | 112 | 170.5 | -17.9 | 28.7 | 0 | 0 | 0 | 107.4 | P277 | P275-P277 WeakPolarHBondContact O-CD 3.41Š| ||
| 276 | T | 55 | Low | 61.9 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | trans | -63 | 119.7 | 170.6 | -55.3 | 0 | 0 | 0 | 0 | 105.3 | L274 S278 | L274-T276 PolarHBondContact O-N 3.11Å; T276-S278 PolarHBondContact O-N 3.48Å | ||
| 277 | P | 49.2 | Very low | 58.7 | Low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | trans | -57.6 | 118.2 | 172.1 | 22.2 | -29 | 0 | 0 | 0 | 106.6 | P275 L279 | P275-P277 WeakPolarHBondContact O-CD 3.41Å; P277-L279 PolarHBondContact O-N 3.17Å | ||
| 278 | S | 45.3 | Very low | 55.7 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | trans | -49.2 | 115.4 | 177.3 | 45.9 | 0 | 0 | 0 | 0 | 108.6 | T276 S280 | T276-S278 PolarHBondContact O-N 3.48Å; S278-S280 PolarHBondContact O-N 2.89Å | ||
| 279 | L | 43.6 | Very low | 52.2 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -69.3 | 31.6 | 179 | -117.5 | 162 | 0 | 0 | 0 | 112.3 | P277 L282 | P277-L279 PolarHBondContact O-N 3.17Å; L279-L282 HydrophobicContact CD2-CD1 4.24Å |
| 280 | S | 43.9 | Very low | 48.9 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | -95.9 | 7 | -173.2 | 59 | 0 | 0 | 0 | 0 | 114.5 | S278 | S278-S280 PolarHBondContact O-N 2.89Š| ||
| 281 | Y | 38.7 | Very low | 45.7 | Very low | 214 Ų | 214 | 133 Ų | 133 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -119.5 | 63.8 | 172.6 | -69.4 | -79.2 | 0 | 0 | 0 | 111.5 | ||||
| 282 | L | 35.8 | Very low | 42.7 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -102.6 | 119.7 | 152 | -90 | 159.1 | 0 | 0 | 0 | 107 | L279 Q284 | L279-L282 HydrophobicContact CD2-CD1 4.24Å; L282-Q284 PolarHBondContact O-N 3.01Å |
| 283 | P | 37.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -63 | 121.1 | -176.4 | -15.5 | 27 | 0 | 0 | 0 | 110.5 | K285 | P283-K285 PolarHBondContact O-N 2.83Š| ||
| 284 | Q | 32.3 | Very low | 37.2 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -61.6 | 115.9 | 171.4 | -76.6 | 177.3 | -44.5 | 0 | 0 | 109.4 | L282 I286 | L282-Q284 PolarHBondContact O-N 3.01Å; Q284-I286 PolarHBondContact O-N 3.12Å; Q284-I286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | K | 32.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -69.1 | 103.1 | 166.9 | -130.6 | 177.7 | -176.9 | -179.4 | 0 | 107.2 | P283 Y287 | P283-K285 PolarHBondContact O-N 2.83Å; K285-Y287 PolarHBondContact O-N 3.16Å | ||
| 286 | I | 34.9 | Very low | 33.3 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -64.2 | 117.8 | -180 | -64.7 | 168.7 | 0 | 0 | 0 | 108.9 | Q284 G288 | Q284-I286 PolarHBondContact O-N 3.12Å; Q284-I286 VanDerWaalsContact O-N 3.09Å; I286-G288 PolarHBondContact O-N 3.49Å | ||
| 287 | Y | 27.9 | Very low | 32 | Very low | 223 Ų | 223 | 134 Ų | 134 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -83.5 | 98.8 | 164.5 | -72.3 | -87.6 | 0 | 0 | 0 | 108 | K285 | K285-Y287 PolarHBondContact O-N 3.16Š| ||
| 288 | G | 32.6 | Very low | 30.7 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -104.9 | 100.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I286 | I286-G288 PolarHBondContact O-N 3.49Š| ||
| 289 | T | 23.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 125.9 | 168.3 | -48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 290 | T | 26 | Very low | 28.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 150.6 | 115.8 | 132 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 291 | S | 25.4 | Very low | 27.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 45.2 | 120.9 | 136.2 | -58.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 292 | S | 24.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 116 | 130.1 | 65 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 293 | T | 24.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 88.3 | 95.8 | 140.1 | -37.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 294 | I | 22.4 | Very low | 26 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 16.8 | 127.9 | 128.7 | -58.3 | 177.8 | 0 | 0 | 0 | 115.5 | |||||
| 295 | P | 26.2 | Very low | 25.9 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | -148.5 | 149.7 | 71.9 | 36.5 | -15.4 | 0 | 0 | 0 | 119.6 | |||||
| 296 | S | 18.8 | Very low | 25.6 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -67.9 | 142.4 | 156.5 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 297 | P | 26.9 | Very low | 25.3 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -128.5 | 126.8 | 130.4 | 29.4 | -14.7 | 0 | 0 | 0 | 109.9 | ||||
| 298 | N | 22 | Very low | 25.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | 49.5 | 103.6 | 94.2 | -71 | -8 | 0 | 0 | 0 | 114 | |||||
| 299 | N | 25.4 | Very low | 25 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | 168.8 | 124.4 | 93.3 | -109.5 | -12.3 | 0 | 0 | 0 | 112.3 | |||||
| 300 | S | 23.8 | Very low | 24.9 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | 28.3 | 142.3 | 128.3 | 55.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 301 | N | 23.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 86.9 | 103.2 | 145.5 | -66.5 | -15.2 | 0 | 0 | 0 | 118.6 | ||||
| 302 | L | 27.6 | Very low | 24.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 170.8 | 107.9 | 98.7 | -92.8 | 145.3 | 0 | 0 | 0 | 111.4 | |||||
| 303 | D | 22.1 | Very low | 24.6 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 40.8 | 128.2 | 128.9 | -94.8 | -47.4 | 0 | 0 | 0 | 124.4 | |||||
| 304 | S | 22.6 | Very low | 24.6 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | 80.6 | 95.8 | 128 | -71.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 305 | S | 31.3 | Very low | 24.6 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | -169.2 | 86.5 | 123.5 | 36.3 | 0 | 0 | 0 | 0 | 111.8 | I307 | S305-I307 PolarHBondContact O-N 3.34Š| |||
| 306 | N | 26.1 | Very low | 24.4 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 22.1 | 88.7 | 151.4 | -63.7 | -35.8 | 0 | 0 | 0 | 118.7 | ||||
| 307 | I | 29.3 | Very low | 24.6 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -85.8 | 132.7 | 160.8 | -69.3 | 174.6 | 0 | 0 | 0 | 109.5 | S305 | S305-I307 PolarHBondContact O-N 3.34Š| ||
| 308 | L | 29 | Very low | 24.6 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -42.5 | 131.6 | -173.5 | -82.1 | 73.9 | 0 | 0 | 0 | 115.1 | ||||
| 309 | K | 24.1 | Very low | 24.6 | Very low | 202 Ų | 202 | 133.1 Ų | 133.1 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 129.7 | 152.8 | -78.4 | 173.9 | 174.9 | 173.5 | 0 | 109.9 | ||||
| 310 | N | 20.6 | Very low | 24.6 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -1.7 | 128.4 | 137.6 | -80.3 | -21.6 | 0 | 0 | 0 | 115.6 | ||||
| 311 | Q | 25.8 | Very low | 24.6 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | -155.2 | 134.5 | 104.9 | -78.5 | -137.2 | -5.5 | 0 | 0 | 111.2 | |||||
| 312 | N | 19.5 | Very low | 24.8 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -60.2 | 132.2 | 166.7 | -67.7 | -38.9 | 0 | 0 | 0 | 110.4 | ||||
| 313 | S | 25.8 | Very low | 24.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -144.9 | 96.1 | 152.9 | -47.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 314 | S | 23.2 | Very low | 24.7 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -8.3 | 121 | 152.3 | 49 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 315 | S | 22.2 | Very low | 24.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 48.5 | 110.6 | 131.6 | 63.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 316 | T | 23.3 | Very low | 24.1 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | -138.9 | 106.8 | 121.6 | 33.3 | 0 | 0 | 0 | 0 | 108.9 | A318 | T316-A318 PolarHBondContact O-N 2.93Š| |||
| 317 | S | 22.5 | Very low | 23.9 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -64.3 | 114.5 | 165.6 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | G319 | S317-G319 VanDerWaalsContact C-N 3.33Å; S317-G319 PolarHBondContact O-N 3.17Å | ||
| 318 | A | 26.1 | Very low | 23.5 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 92.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T316 H320 | T316-A318 PolarHBondContact O-N 2.93Å; A318-H320 PolarHBondContact O-N 2.71Å | ||
| 319 | G | 23 | Very low | 23.2 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 124.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S317 S321 | S317-G319 VanDerWaalsContact C-N 3.33Å; S317-G319 PolarHBondContact O-N 3.17Å; G319-S321 PolarHBondContact O-N 3.05Å; G319-S321 VanDerWaalsContact O-N 3.08Å | ||
| 320 | H | 25.7 | Very low | 23 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -64.6 | 101 | 168.8 | -76.4 | -75.6 | 0 | 0 | 0 | 109.5 | A318 N322 | A318-H320 PolarHBondContact O-N 2.71Å; H320-N322 PolarHBondContact O-N 2.95Å | ||
| 321 | S | 23.6 | Very low | 23.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -71.5 | 112.3 | 156.7 | 48 | 0 | 0 | 0 | 0 | 107.7 | G319 N323 | G319-S321 PolarHBondContact O-N 3.05Å; G319-S321 VanDerWaalsContact O-N 3.08Å; S321-N323 PolarHBondContact O-N 3.2Å | ||
| 322 | N | 27.2 | Very low | 23.3 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -67.7 | 84.3 | 166.3 | -76.2 | -24.5 | 0 | 0 | 0 | 108.1 | H320 T324 | H320-N322 PolarHBondContact O-N 2.95Å; N322-T324 PolarHBondContact O-N 2.88Å | ||
| 323 | N | 21.8 | Very low | 23.7 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | -68.1 | 85.7 | 163.1 | -127.7 | 9 | 0 | 0 | 0 | 106.4 | S321 G325 | S321-N323 PolarHBondContact O-N 3.2Å; N323-G325 PolarHBondContact O-N 3.47Å | ||
| 324 | T | 25.2 | Very low | 23.9 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | -68.5 | 87.8 | 162.4 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | N322 L326 | N322-T324 PolarHBondContact O-N 2.88Å; T324-L326 PolarHBondContact O-N 3.46Å; T324-L326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | G | 22.3 | Very low | 24.4 | Very low | 58 Ų | 58 | 111.9 Ų | 111.9 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | trans | -50.3 | 117.7 | 166 | 0 | 0 | 0 | 0 | 0 | 107.8 | N323 T327 | N323-G325 PolarHBondContact O-N 3.47Å; G325-T327 PolarHBondContact O-N 3.39Å | ||
| 326 | L | 20.5 | Very low | 24.7 | Very low | 168 Ų | 168 | 108.3 Ų | 108.3 | 88% | 0.88 | 66% | 0.661 | S | S | * | * | trans | -66.1 | 81.2 | 170.6 | -68.2 | 166 | 0 | 0 | 0 | 107.5 | T324 F328 | T324-L326 PolarHBondContact O-N 3.46Å; T324-L326 VanDerWaalsContact O-N 3.08Å; L326-F328 PolarHBondContact O-N 3.09Å | ||
| 327 | T | 21.9 | Very low | 25.2 | Very low | 112 Ų | 112 | 102.6 Ų | 102.6 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | trans | -76.7 | 117.1 | 160.2 | 57 | 0 | 0 | 0 | 0 | 106.6 | G325 D329 | G325-T327 PolarHBondContact O-N 3.39Å; T327-D329 PolarHBondContact O-N 3.01Å | ||
| 328 | F | 20.1 | Very low | 25.3 | Very low | 199 Ų | 199 | 108 Ų | 108 | 87% | 0.873 | 63% | 0.627 | S | S | * | * | trans | -74.7 | 56.2 | -177.2 | -134.8 | -89.2 | 0 | 0 | 0 | 110.4 | L326 G330 | L326-F328 PolarHBondContact O-N 3.09Å; F328-G330 PolarHBondContact O-N 3.33Å | ||
| 329 | D | 22.4 | Very low | 25.2 | Very low | 149 Ų | 149 | 106.3 Ų | 106.3 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | trans | -86 | 59.7 | 171.3 | -66.1 | -39.3 | 0 | 0 | 0 | 109.3 | T327 | T327-D329 PolarHBondContact O-N 3.01Š| ||
| 330 | G | 21 | Very low | 25.3 | Very low | 56 Ų | 56 | 105.9 Ų | 105.9 | 58% | 0.577 | 60% | 0.595 | S | S | * | * | trans | -99.8 | 61 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F328 | F328-G330 PolarHBondContact O-N 3.33Š| ||
| 331 | W | 26.5 | Very low | 25.2 | Very low | 156 Ų | 156 | 102.2 Ų | 102.2 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | trans | -118.9 | 58.8 | 169.6 | -80.8 | 51 | 0 | 0 | 0 | 109.8 | N169 | N169-W331 WeakPolarHBondContact OD1-CH2 3.45Å; N169-W331 WeakPolarHBondContact OD1-CZ3 3.42Å | ||
| 332 | N | 26.1 | Very low | 25.2 | Very low | 91 Ų | 91 | 106.9 Ų | 106.9 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | trans | -131.5 | 83.4 | 147.4 | -126.1 | 4.1 | 0 | 0 | 0 | 106.3 | G334 F335 F337 | N332-G334 PolarHBondContact O-N 3.37Å; N332-F335 PolarHBondContact ND2-O 2.95Å; N332-F335 PolarHBondContact OD1-O 3.25Å; N332-F337 PolarHBondContact ND2-O 3.19Å | ||
| 333 | S | 26.8 | Very low | 24.9 | Very low | 49 Ų | 49 | 107.8 Ų | 107.8 | 34% | 0.343 | 60% | 0.601 | S | S | . | * | trans | -68.4 | 76.7 | 173.6 | 44.4 | 0 | 0 | 0 | 0 | 109.6 | N66 F335 | N66-S333 PolarHBondContact ND2-O 2.93Å; S333-F335 WeakPolarHBondContact O-CD2 3.44Å; S333-F335 PolarHBondContact O-N 3.2Å | ||
| 334 | G | 30.2 | Very low | 24.9 | Very low | 58 Ų | 58 | 104.8 Ų | 104.8 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 70 | 5.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | N332 | N332-G334 PolarHBondContact O-N 3.37Š|
| 335 | F | 34.6 | Very low | 24.8 | Very low | 23 Ų | 23 | 104.1 Ų | 104.1 | 10% | 0.101 | 59% | 0.592 | C | S | . | * | trans | -106.9 | 134 | 171 | -77.7 | -101.2 | 0 | 0 | 0 | 109.6 | T81 L192 N332 S333 | T81-F335 VanDerWaalsContact CB-CE1 3.48Å; T81-F335 HydrophobicContact CG2-CD1 3.55Å; T81-F335 HydrophobicContact CG2-CE1 3.08Å; T81-F335 HydrophobicContact CG2-CZ 3.83Å; T81-F335 WeakPolarHBondContact OG1-CE1 3.44Å; T81-F335 WeakPolarHBondContact OG1-CZ 3.25Å; L192-F335 HydrophobicContact CD1-CE2 3.65Å; L192-F335 HydrophobicContact CD1-CZ 3.59Å; N332-F335 PolarHBondContact ND2-O 2.95Å; N332-F335 PolarHBondContact OD1-O 3.25Å; S333-F335 WeakPolarHBondContact O-CD2 3.44Å; S333-F335 PolarHBondContact O-N 3.2Å | ||
| 336 | G | 27.7 | Very low | 24.7 | Very low | 26 Ų | 26 | 110.2 Ų | 110.2 | 27% | 0.268 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -58.3 | 160.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 337 | F | 34.9 | Very low | 24.7 | Very low | 27 Ų | 27 | 108.1 Ų | 108.1 | 12% | 0.118 | 60% | 0.596 | C | S | . | * | trans | 88 | 118.2 | 169.8 | -49.5 | -69.9 | 0 | 0 | 0 | 117.8 | N88 F89 V136 E258 N332 | N88-F337 HydrophobicContact CB-CE2 4.07Å; N88-F337 VanDerWaalsContact CG-CE2 3.4Å; N88-F337 WeakPolarHBondContact OD1-CE2 3.33Å; N88-F337 WeakPolarHBondContact OD1-CZ 3.26Å; F89-F337 HydrophobicContact CD2-CZ 4.14Å; F89-F337 HydrophobicContact CE1-CE1 4.47Å; F89-F337 HydrophobicContact CE1-CZ 4.35Å; F89-F337 HydrophobicContact CE2-CE1 4.24Å; F89-F337 HydrophobicContact CE2-CE2 4.45Å; F89-F337 AromaticContact CE2-CZ 3.51Å; F89-F337 HydrophobicContact CE2-CZ 3.51Å; F89-F337 AromaticContact CZ-CE1 3.88Å; F89-F337 HydrophobicContact CZ-CE1 3.88Å; F89-F337 AromaticContact CZ-CZ 3.62Å; F89-F337 HydrophobicContact CZ-CZ 3.62Å; V136-F337 HydrophobicContact CG1-CD1 4.47Å; V136-F337 HydrophobicContact CG2-CB 4.21Å; V136-F337 HydrophobicContact CG2-CD1 3.66Å; V136-F337 HydrophobicContact CG2-CE1 4.24Å; V136-F337 HydrophobicContact CG2-CG 3.95Å; E258-F337 HydrophobicContact CG-CE1 4.23Å; E258-F337 WeakPolarHBondContact OE1-CE1 3.46Å; N332-F337 PolarHBondContact ND2-O 3.19Å | ||
| 338 | R | 23.5 | Very low | 24.9 | Very low | 226 Ų | 226 | 110 Ų | 110 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | trans | -86.5 | 110.5 | 177 | -158.9 | -179.5 | -162.2 | -110.3 | 2.5 | 107.8 | ||||
| 339 | S | 24.4 | Very low | 24.8 | Very low | 63 Ų | 63 | 107.7 Ų | 107.7 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 129.2 | 164.3 | -66.7 | 0 | 0 | 0 | 0 | 108.7 | S341 | S339-S341 PolarHBondContact O-N 3.33Š|
| 340 | P | 25.2 | Very low | 24.9 | Very low | 57 Ų | 57 | 106.6 Ų | 106.6 | 37% | 0.37 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 116.7 | 169.7 | -14.2 | 28.2 | 0 | 0 | 0 | 108.6 | E137 K342 | E137-P340 WeakPolarHBondContact OE2-CG 3.37Å; P340-K342 PolarHBondContact O-N 2.92Å |
| 341 | S | 24.4 | Very low | 24.9 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.8 | 165.3 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | S339 L343 | S339-S341 PolarHBondContact O-N 3.33Å; S341-L343 VanDerWaalsContact C-N 3.34Å; S341-L343 PolarHBondContact O-N 2.87Å |
| 342 | K | 22.7 | Very low | 24.7 | Very low | 202 Ų | 202 | 112.8 Ų | 112.8 | 88% | 0.878 | 62% | 0.615 | S | S | * | * | trans | -52.1 | 92.2 | 177.3 | -71.7 | 172.6 | 177.4 | 172.7 | 0 | 110.5 | P340 | P340-K342 PolarHBondContact O-N 2.92Š| ||
| 343 | L | 20.1 | Very low | 24.6 | Very low | 167 Ų | 167 | 113.6 Ų | 113.6 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -112.5 | 56.8 | 164.3 | -137.8 | 86.3 | 0 | 0 | 0 | 108.9 | S341 S345 | S341-L343 VanDerWaalsContact C-N 3.34Å; S341-L343 PolarHBondContact O-N 2.87Å; L343-S345 PolarHBondContact O-N 3.11Å | ||
| 344 | S | 23.3 | Very low | 24.5 | Very low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 65% | 0.647 | S | S | * | * | trans | -81.4 | 103.3 | 157.2 | 61.4 | 0 | 0 | 0 | 0 | 107.6 | F346 | S344-F346 PolarHBondContact O-N 3.22Š| ||
| 345 | S | 22.2 | Very low | 24.2 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -4.5 | 94.9 | 154.1 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | L343 | L343-S345 PolarHBondContact O-N 3.11Š| ||
| 346 | F | 21.5 | Very low | 23.6 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 82% | 0.82 | 69% | 0.687 | S | S | * | * | trans | -111.7 | 79 | 152.6 | -105.5 | -91.2 | 0 | 0 | 0 | 107.3 | S344 H348 | S344-F346 PolarHBondContact O-N 3.22Å; F346-H348 PolarHBondContact O-N 3.25Å | ||
| 347 | V | 20.3 | Very low | 23.2 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | -85.7 | 93.2 | 161.9 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 348 | H | 24.4 | Very low | 22.7 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -115.6 | 97.6 | 152.6 | -97.2 | -67.8 | 0 | 0 | 0 | 108.2 | F346 T350 | F346-H348 PolarHBondContact O-N 3.25Å; H348-T350 PolarHBondContact O-N 2.89Å; H348-T350 VanDerWaalsContact O-N 3.13Å | ||
| 349 | N | 19.3 | Very low | 22.7 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -57.2 | 104.7 | 154 | -101.8 | -26.1 | 0 | 0 | 0 | 107.9 | ||||
| 350 | T | 23.3 | Very low | 22.7 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -121.4 | 97.3 | 158.5 | 46 | 0 | 0 | 0 | 0 | 108.2 | H348 | H348-T350 PolarHBondContact O-N 2.89Å; H348-T350 VanDerWaalsContact O-N 3.13Å | ||
| 351 | K | 21.9 | Very low | 22.5 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -54.1 | 138.1 | 161.4 | -71.5 | 174.1 | 173.4 | 177.2 | 0 | 109.5 | ||||
| 352 | N | 21.7 | Very low | 22.6 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | 43.8 | 111.1 | 149.5 | -66.9 | -5.5 | 0 | 0 | 0 | 118.6 | ||||
| 353 | S | 23.7 | Very low | 22.5 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | -167.7 | 121.9 | 111.9 | 60 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 354 | H | 25.5 | Very low | 22.7 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | 46.6 | 122.9 | 132.9 | -66.2 | -70.2 | 0 | 0 | 0 | 123.2 | ||||
| 355 | H | 23.1 | Very low | 22.6 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | trans | 62.6 | 99.8 | 135.8 | -79.6 | -69.9 | 0 | 0 | 0 | 118.9 | ||||
| 356 | Y | 21.8 | Very low | 22.6 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | -133 | 109 | 125.5 | -96 | -83.9 | 0 | 0 | 0 | 109.4 | |||||
| 357 | Q | 20.7 | Very low | 22.5 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 130 | 159.7 | -81.3 | 169.9 | -37 | 0 | 0 | 107.6 | ||||
| 358 | N | 24.6 | Very low | 22.6 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -136.1 | 122 | 150.5 | -97.4 | -31.5 | 0 | 0 | 0 | 109 | ||||
| 359 | H | 23.2 | Very low | 22.3 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -65.1 | 141.4 | 176 | -68.8 | -96.6 | 0 | 0 | 0 | 111 | ||||
| 360 | S | 23.5 | Very low | 22.3 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | 162.4 | 110.7 | 118.6 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 361 | R | 21.9 | Very low | 22.2 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | 78.9 | 123.5 | 132.7 | -69.6 | 179.1 | -177.3 | -171.8 | -0.5 | 122 | ||||
| 362 | H | 25.3 | Very low | 22 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 69 | 115.7 | 162.5 | -58.1 | -63.2 | 0 | 0 | 0 | 115.9 | ||||
| 363 | G | 21.3 | Very low | 22 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | cis | 119.3 | 87.2 | 16.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 364 | S | 25.3 | Very low | 21.8 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 170.7 | 89.1 | 145.7 | 38.8 | 0 | 0 | 0 | 0 | 110.2 | V366 | S364-V366 PolarHBondContact O-N 3.31Š| ||
| 365 | N | 20.3 | Very low | 21.6 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 100.9 | 162.5 | -84.5 | -28.6 | 0 | 0 | 0 | 107.9 | ||||
| 366 | V | 21.2 | Very low | 21.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -103.1 | 106.3 | 164.9 | -176.8 | 0 | 0 | 0 | 0 | 108 | S364 | S364-V366 PolarHBondContact O-N 3.31Š| ||
| 367 | S | 19.8 | Very low | 21.6 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -78.2 | 108.9 | 170.1 | 154.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 368 | C | 21.8 | Very low | 21.7 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -104.1 | 99.4 | 166.7 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 369 | K | 18.1 | Very low | 21.6 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 133.2 | 158.6 | -79 | 174.1 | 171.5 | 175.3 | 0 | 108.2 | ||||
| 370 | G | 20 | Very low | 21.5 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -159.9 | 95.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 371 | A | 20.7 | Very low | 21.5 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 53.9 | 94.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 372 | T | 19.2 | Very low | 21.6 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -81.4 | 127.4 | 154.1 | -22.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 373 | V | 20.4 | Very low | 21.5 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -104.3 | 116.6 | 167.6 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 374 | N | 19.5 | Very low | 21.5 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -72 | 147.7 | 171.6 | -74.9 | -23.5 | 0 | 0 | 0 | 111 | ||||
| 375 | S | 22.8 | Very low | 21.4 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -155.7 | 133.5 | 128.1 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 376 | S | 20.2 | Very low | 21.3 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -84 | 149.5 | -172.7 | -46.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 377 | F | 23.7 | Very low | 21.4 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | trans | -144.1 | 143.1 | 147.2 | -118.8 | -87.7 | 0 | 0 | 0 | 109.4 | ||||
| 378 | E | 23.1 | Very low | 21.4 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -75.6 | 160.8 | -146.8 | -67.4 | 170.4 | 137.6 | 0 | 0 | 117.9 | ||||
| 379 | A | 21.7 | Very low | 21.4 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -87.9 | 145.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 380 | D | 22 | Very low | 21.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | 174.2 | 127.7 | 134.5 | -94.1 | -20.7 | 0 | 0 | 0 | 110.8 | ||||
| 381 | L | 24.1 | Very low | 21.5 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 158.5 | 96.9 | 144.1 | -87.7 | 157.6 | 0 | 0 | 0 | 110.6 | ||||
| 382 | L | 22.2 | Very low | 21.6 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -172.1 | 111.3 | 138.3 | -102.5 | 159.6 | 0 | 0 | 0 | 109.2 | ||||
| 383 | P | 24.2 | Very low | 21.9 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -86.7 | 132.4 | -172.7 | 31.9 | -31.2 | 0 | 0 | 0 | 112.5 | ||||
| 384 | T | 21.2 | Very low | 21.9 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 118.7 | 163 | -48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 385 | L | 23.4 | Very low | 22.2 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -127.7 | 95.8 | 163.7 | -102.6 | 161.8 | 0 | 0 | 0 | 109.6 | ||||
| 386 | M | 17.2 | Very low | 22.2 | Very low | 181 Ų | 181 | 149 Ų | 149 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 103.3 | 158.4 | -98.5 | -93.4 | -174 | 0 | 0 | 106.4 | ||||
| 387 | T | 23.7 | Very low | 22.5 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -145.3 | 134.4 | 161.7 | -43.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 388 | K | 19.5 | Very low | 22.4 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -55.3 | 156.8 | 175.6 | -66.7 | 165.3 | 170.9 | 174.8 | 0 | 114.3 | ||||
| 389 | H | 22.9 | Very low | 22.5 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 142.5 | 105.7 | 141.9 | -84.9 | -84.5 | 0 | 0 | 0 | 110.4 | ||||
| 390 | I | 20 | Very low | 22.5 | Very low | 134 Ų | 134 | 148 Ų | 148 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | 84.5 | 134.6 | 94.2 | -72.3 | -175.8 | 0 | 0 | 0 | 114.3 | |||||
| 391 | T | 20.7 | Very low | 22.6 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 80 | 106.8 | 159.1 | 49.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 392 | H | 21.6 | Very low | 22.5 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | 46.2 | 108.6 | 123.7 | -66.1 | -80 | 0 | 0 | 0 | 119.8 | |||||
| 393 | S | 25.6 | Very low | 22.6 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -151.9 | 114 | 129.1 | 23.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 394 | N | 20 | Very low | 22.6 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -61.2 | 137.9 | 155.9 | -74.3 | -31.8 | 0 | 0 | 0 | 107.5 | ||||
| 395 | D | 26.2 | Very low | 22.7 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | -159.2 | 138.9 | 127.1 | -94.4 | -28.6 | 0 | 0 | 0 | 111.2 | |||||
| 396 | H | 24 | Very low | 22.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -52.5 | 142.2 | -177.8 | -72.7 | -98.2 | 0 | 0 | 0 | 114.3 | ||||
| 397 | I | 26.5 | Very low | 23.2 | Very low | 150 Ų | 150 | 143 Ų | 143 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | 171.1 | 97.1 | 107.4 | -79.8 | 157.6 | 0 | 0 | 0 | 106 | D399 | I397-D399 HydrophobicContact CG2-CB 4.46Š| |||
| 398 | N | 20 | Very low | 23.4 | Very low | 166 Ų | 166 | 145 Ų | 145 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 113.7 | 150.8 | -96.6 | -26.5 | 0 | 0 | 0 | 105.6 | ||||
| 399 | D | 25 | Very low | 23.7 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -140.6 | 101.4 | 151.2 | -107.3 | -33.9 | 0 | 0 | 0 | 110.3 | I397 | I397-D399 HydrophobicContact CG2-CB 4.46Š| ||
| 400 | S | 22.7 | Very low | 23.8 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 55.4 | 78.4 | 120.2 | -50 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 401 | I | 24.2 | Very low | 24.1 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -136.3 | 93.3 | 138 | -59.6 | -175.9 | 0 | 0 | 0 | 108.8 | V403 | I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 3.04Å | ||
| 402 | Q | 21.4 | Very low | 24.2 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 111.4 | 154.6 | -76.2 | -165.9 | -10.1 | 0 | 0 | 108.1 | ||||
| 403 | V | 24.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 100.2 | 151.9 | 176.9 | 0 | 0 | 0 | 0 | 106.3 | I401 N405 | I401-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 PolarHBondContact O-N 3.04Å; V403-N405 PolarHBondContact O-N 3.34Å | ||
| 404 | S | 24 | Very low | 24.1 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 60% | 0.601 | 81% | 0.811 | S | S | * | * | trans | -57 | 117.7 | 169.3 | 30.5 | 0 | 0 | 0 | 0 | 109.9 | S406 | S404-S406 VanDerWaalsContact C-N 3.26Å; S404-S406 PolarHBondContact O-N 2.92Å | ||
| 405 | N | 24.7 | Very low | 24.1 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 85.2 | 163.5 | -88.2 | -34.5 | 0 | 0 | 0 | 109.2 | V403 | V403-N405 PolarHBondContact O-N 3.34Š| ||
| 406 | S | 24.6 | Very low | 24.1 | Very low | 86 Ų | 86 | 156.1 Ų | 156.1 | 60% | 0.601 | 81% | 0.813 | S | S | * | * | trans | -137.5 | 60 | 170.6 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | S404 | S404-S406 VanDerWaalsContact C-N 3.26Å; S404-S406 PolarHBondContact O-N 2.92Å | ||
| 407 | N | 26.5 | Very low | 24 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -150 | 37.6 | 169.7 | -93.3 | -25.2 | 0 | 0 | 0 | 114.5 | ||
| 408 | L | 26.6 | Very low | 23.7 | Very low | 166 Ų | 166 | 155.9 Ų | 155.9 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -138.5 | 19.4 | 170.9 | -116.2 | 150.4 | 0 | 0 | 0 | 115.9 | ||
| 409 | N | 26.6 | Very low | 23.8 | Very low | 169 Ų | 169 | 154 Ų | 154 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -120.6 | 31.8 | 170.6 | -78.4 | -22.8 | 0 | 0 | 0 | 113.4 | ||
| 410 | K | 25.6 | Very low | 23.6 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -129.6 | 37.5 | 177.8 | -82.2 | -167.6 | 175.4 | -176 | 0 | 114.8 | ||||
| 411 | L | 24.5 | Very low | 23.5 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -134.9 | 44.3 | 167.3 | -144.6 | 87.6 | 0 | 0 | 0 | 112.8 | ||
| 412 | L | 24.1 | Very low | 23.4 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -135.3 | 66 | 166.5 | -87 | 158.4 | 0 | 0 | 0 | 108.1 | ||||
| 413 | E | 23.2 | Very low | 23.2 | Very low | 172 Ų | 172 | 159 Ų | 159 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -131.5 | 92.4 | 162.2 | -90.1 | -170.9 | 147.5 | 0 | 0 | 108.2 | ||||
| 414 | C | 21.4 | Very low | 23 | Very low | 133 Ų | 133 | 163 Ų | 163 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | trans | -133 | 95.9 | 152.4 | -85.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 415 | K | 20.2 | Very low | 22.8 | Very low | 170 Ų | 170 | 165 Ų | 165 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | trans | -65.7 | 129.1 | 169 | -69.1 | 178.3 | 175.5 | 178.8 | 0 | 108.6 | ||||
| 416 | Y | 25.6 | Very low | 22.5 | Very low | 230 Ų | 230 | 160.2 Ų | 160.2 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -132.1 | 132.1 | 145.5 | -100.6 | -81.3 | 0 | 0 | 0 | 107.8 | ||||
| 417 | D | 22.4 | Very low | 22.1 | Very low | 143 Ų | 143 | 168 Ų | 168 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | -67.4 | 152.4 | -160.9 | -73 | -59.1 | 0 | 0 | 0 | 115.7 | ||||
| 418 | Q | 19.4 | Very low | 21.7 | Very low | 174 Ų | 174 | 168.1 Ų | 168.1 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -56.5 | 147 | 159.7 | -71 | -177.7 | -20.8 | 0 | 0 | 111.7 | ||||
| 419 | P | 22.4 | Very low | 21.4 | Very low | 126 Ų | 126 | 168.6 Ų | 168.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -106.9 | 143.8 | 132.2 | 27.7 | -16.5 | 0 | 0 | 0 | 110.4 | ||||
| 420 | Q | 20.9 | Very low | 21.2 | Very low | 171 Ų | 171 | 167.5 Ų | 167.5 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | trans | -73.3 | 155.2 | -166.7 | -61.4 | 178.3 | -25.6 | 0 | 0 | 114.1 | ||||
| 421 | S | 21 | Very low | 20.9 | Very low | 106 Ų | 106 | 167.2 Ų | 167.2 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | 60.4 | 93 | 140.1 | 169.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 422 | I | 21.7 | Very low | 20.8 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -131.6 | 134.3 | 139.9 | -64 | -177.2 | 0 | 0 | 0 | 108.8 | ||||
| 423 | R | 18.5 | Very low | 20.7 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -57.8 | 135.9 | -159.8 | -64.4 | 173.2 | -169.9 | -178.1 | 2.1 | 114.7 | V425 | R423-V425 PolarHBondContact O-N 3.04Š| ||
| 424 | K | 19.6 | Very low | 20.7 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -57.8 | 121.6 | 150 | -83.6 | 176.8 | 171.6 | 179.5 | 0 | 108.8 | ||||
| 425 | V | 20.1 | Very low | 20.8 | Very low | 128 Ų | 128 | 162.8 Ų | 162.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -88.6 | 107.8 | 155.3 | 177.4 | 0 | 0 | 0 | 0 | 105.9 | R423 | R423-V425 PolarHBondContact O-N 3.04Š| ||
| 426 | S | 17.1 | Very low | 20.9 | Very low | 71 Ų | 71 | 161.6 Ų | 161.6 | 50% | 0.497 | 81% | 0.809 | S | S | . | * | trans | -73.2 | 134.6 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | E428 | S426-E428 PolarHBondContact OG-N 3.37Š| ||
| 427 | W | 17 | Very low | 20.9 | Very low | 249 Ų | 249 | 158 Ų | 158 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -110.5 | 93.9 | 147.4 | -77.7 | 97.8 | 0 | 0 | 0 | 105.7 | ||||
| 428 | E | 17.4 | Very low | 21 | Very low | 161 Ų | 161 | 157.7 Ų | 157.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -110.2 | 152.8 | 167 | -93.7 | 177.8 | 157.6 | 0 | 0 | 109.1 | S426 | S426-E428 PolarHBondContact OG-N 3.37Š| ||
| 429 | Q | 20 | Very low | 21.4 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 79.3 | 102.2 | 167.8 | -72.9 | 172.2 | -23.2 | 0 | 0 | 118 | ||||
| 430 | T | 23.8 | Very low | 21.6 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | -158.6 | 129.4 | 93.9 | 12.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 431 | E | 19.2 | Very low | 21.9 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 149.3 | 176.6 | -64 | 173.7 | 135.4 | 0 | 0 | 111.4 | ||||
| 432 | G | 21.3 | Very low | 22.2 | Very low | 68 Ų | 68 | 155.7 Ų | 155.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 75.5 | 110.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 433 | I | 23.3 | Very low | 22.4 | Very low | 177 Ų | 177 | 155 Ų | 155 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | -163.9 | 141.3 | 114.7 | -89.9 | 148.5 | 0 | 0 | 0 | 109 | |||||
| 434 | N | 22.9 | Very low | 22.7 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 151.1 | -173.9 | -82.7 | -59 | 0 | 0 | 0 | 115.5 | ||||
| 435 | K | 22.5 | Very low | 22.9 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 24.3 | 137.1 | 135.1 | -61.3 | -180 | 177 | 177 | 0 | 119.6 | ||||
| 436 | D | 23.1 | Very low | 23.3 | Very low | 144 Ų | 144 | 157.9 Ų | 157.9 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 87.8 | 77.4 | 157.8 | -58.3 | -21.2 | 0 | 0 | 0 | 117.9 | ||||
| 437 | E | 25.1 | Very low | 23.5 | Very low | 155 Ų | 155 | 162 Ų | 162 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -144.7 | 67.6 | 143.4 | -76.2 | -156.3 | 152.2 | 0 | 0 | 111.8 | S439 | E437-S439 PolarHBondContact O-N 2.94Š| ||
| 438 | T | 25 | Very low | 23.9 | Very low | 136 Ų | 136 | 160 Ų | 160 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 85.2 | 147.9 | 38.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 439 | S | 28.5 | Very low | 24.1 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.7 | -6.5 | 156.6 | -84.9 | 0 | 0 | 0 | 0 | 117.1 | E437 | E437-S439 PolarHBondContact O-N 2.94Š|
| 440 | Q | 26.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 154.5 Ų | 154.5 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -101.9 | 2.6 | -176.5 | -69.7 | -168.3 | 16.5 | 0 | 0 | 117 | Q442 | Q440-Q442 VanDerWaalsContact C-N 3.28Å; Q440-Q442 PolarHBondContact O-N 3.41Å |
| 441 | A | 25.4 | Very low | 24.3 | Very low | 101 Ų | 101 | 155.8 Ų | 155.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 442 | Q | 27.6 | Very low | 24.5 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 1.1 | 174.8 | -79.1 | -173.3 | -19.7 | 0 | 0 | 114.3 | Q440 | Q440-Q442 VanDerWaalsContact C-N 3.28Å; Q440-Q442 PolarHBondContact O-N 3.41Å |
| 443 | H | 27.2 | Very low | 24.3 | Very low | 159 Ų | 159 | 160 Ų | 160 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -106.6 | 3.4 | -175.7 | -138.9 | -65.3 | 0 | 0 | 0 | 116.1 | ||
| 444 | L | 24.3 | Very low | 24.2 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -115.8 | 21.5 | 175.7 | -72.9 | 172.7 | 0 | 0 | 0 | 114.2 | ||
| 445 | R | 24 | Very low | 24.2 | Very low | 234 Ų | 234 | 160 Ų | 160 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -112.7 | 14.2 | 174.1 | -135.1 | -176.9 | -139.6 | -165.2 | 5.7 | 114.7 | ||
| 446 | R | 27.2 | Very low | 24 | Very low | 227 Ų | 227 | 159.2 Ų | 159.2 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -122.3 | 2.6 | -178.8 | -96.1 | -173.8 | -163.2 | 147.8 | 5.2 | 117.1 | ||
| 447 | E | 23.3 | Very low | 24.1 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -102.3 | 5.5 | -175.6 | -77.9 | -93.1 | 138.3 | 0 | 0 | 115.2 | ||
| 448 | F | 24 | Very low | 23.9 | Very low | 207 Ų | 207 | 158.3 Ų | 158.3 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -124.7 | 47.9 | 172 | -74.4 | -77.8 | 0 | 0 | 0 | 112.2 | ||
| 449 | S | 22.6 | Very low | 23.7 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -142.7 | 40 | 176 | -55.4 | 0 | 0 | 0 | 0 | 113 | ||
| 450 | T | 22.4 | Very low | 23.5 | Very low | 123 Ų | 123 | 160.3 Ų | 160.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -159 | 107.5 | 163.5 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 451 | L | 25.1 | Very low | 23.1 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | 175.2 | 146.8 | 142 | -90.2 | 158.8 | 0 | 0 | 0 | 108.2 | ||||
| 452 | P | 22.3 | Very low | 23 | Very low | 111 Ų | 111 | 161.4 Ų | 161.4 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -104.9 | 158.3 | -132.6 | 12.7 | 8.1 | 0 | 0 | 0 | 114.5 | ||||
| 453 | R | 18.2 | Very low | 22.6 | Very low | 238 Ų | 238 | 157.1 Ų | 157.1 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 129.4 | 172.9 | -70.2 | -179.9 | -175.3 | -159.3 | 0.4 | 113 | ||
| 454 | P | 21.4 | Very low | 22.3 | Very low | 125 Ų | 125 | 156.4 Ų | 156.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 124.7 | 152.9 | 0.5 | 18.6 | 0 | 0 | 0 | 109 | ||
| 455 | K | 22.3 | Very low | 22.3 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 145.6 | 167.8 | -68.4 | 173.4 | 177 | 175.9 | 0 | 108.8 | P457 | K455-P457 WeakPolarHBondContact O-CD 3.49Š|
| 456 | N | 18.7 | Very low | 22.1 | Very low | 164 Ų | 164 | 155 Ų | 155 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -43.6 | 140.7 | 163.2 | -72.7 | -11.3 | 0 | 0 | 0 | 111.5 | ||||
| 457 | P | 24.6 | Very low | 21.8 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -127.4 | 149.5 | 126.8 | 25.8 | -9 | 0 | 0 | 0 | 112.2 | K455 | K455-P457 WeakPolarHBondContact O-CD 3.49Š| |||
| 458 | L | 21.6 | Very low | 21.9 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -62.9 | 156.7 | 176.1 | -70.5 | 137.1 | 0 | 0 | 0 | 112.7 | ||||
| 459 | N | 20.3 | Very low | 21.7 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 33.2 | 120.9 | 145.2 | -65.5 | -7.5 | 0 | 0 | 0 | 118.5 | ||||
| 460 | V | 23.6 | Very low | 21.6 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | -173.9 | 141 | 114.6 | 151.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 461 | T | 18.7 | Very low | 21.9 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -56.1 | 133.1 | 170.6 | 45.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 462 | D | 22.9 | Very low | 21.6 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | -179.7 | 152 | 118.3 | -90.5 | -21.2 | 0 | 0 | 0 | 111.5 | |||||
| 463 | S | 19.4 | Very low | 21.7 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 165.4 | -175.1 | 34.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 464 | D | 21.3 | Very low | 21.9 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 89.9 | 100 | 161.7 | -53.7 | -27.9 | 0 | 0 | 0 | 117.7 | ||||
| 465 | F | 24.6 | Very low | 22.2 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | -171.4 | 141 | 113.1 | -115 | -91.4 | 0 | 0 | 0 | 112.3 | |||||
| 466 | L | 20.3 | Very low | 22.3 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 164.6 | -169.7 | -103.2 | 140.7 | 0 | 0 | 0 | 114.8 | ||||
| 467 | C | 19.4 | Very low | 22.7 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 82.6 | 129.9 | 158.7 | -65 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 468 | T | 25.2 | Very low | 22.9 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | cis | -148.1 | 145.1 | 42 | 41.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 469 | S | 20.9 | Very low | 23.2 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -28.4 | 152.4 | 157 | 45.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 470 | E | 20.9 | Very low | 23.8 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | cis | -178.3 | 179.3 | 33.3 | -126.5 | -178.2 | -161.1 | 0 | 0 | 108 | ||||
| 471 | P | 28.3 | Very low | 24.4 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -125.4 | 160.6 | -18.5 | 36.2 | -19.2 | 0 | 0 | 0 | 113.7 | ||||
| 472 | Q | 19.4 | Very low | 25.3 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -66.9 | 127.1 | 174.2 | -66 | 175.2 | -14.8 | 0 | 0 | 111.4 | ||||
| 473 | S | 23.8 | Very low | 25.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -117.3 | 119.8 | 148.8 | 61.9 | 0 | 0 | 0 | 0 | 107.9 | T475 | S473-T475 PolarHBondContact O-N 2.85Å; S473-T475 PolarHBondContact O-OG1 3.24Å | ||
| 474 | T | 22.6 | Very low | 26 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -57.9 | 108.3 | -171.7 | 35.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 475 | T | 26.6 | Very low | 26.4 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -131 | 60.9 | 170 | -28.7 | 0 | 0 | 0 | 0 | 109.2 | S473 | S473-T475 PolarHBondContact O-N 2.85Å; S473-T475 PolarHBondContact O-OG1 3.24Å | ||
| 476 | Q | 25 | Very low | 26.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -97.7 | 11.4 | -179.4 | -105.5 | 179.7 | -5.2 | 0 | 0 | 114.6 | ||||
| 477 | E | 26.5 | Very low | 26.7 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -110.6 | 8.2 | -179.6 | -101.7 | -176.3 | 171.4 | 0 | 0 | 115.7 | ||
| 478 | L | 30.3 | Very low | 27.2 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -124.8 | 0.9 | -174.1 | -99.6 | 157.2 | 0 | 0 | 0 | 117 | F480 | L478-F480 VanDerWaalsContact C-N 3.3Š|
| 479 | E | 27.8 | Very low | 27.4 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -78.6 | -12.5 | 169.1 | -94 | -179.2 | 164.4 | 0 | 0 | 113.4 | L481 | E479-L481 PolarHBondContact O-N 3.06Å; E479-L481 VanDerWaalsContact O-N 3.16Å |
| 480 | F | 33 | Very low | 27.7 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -68.5 | -15.2 | -176.4 | -125.4 | -84.9 | 0 | 0 | 0 | 114.7 | L478 | L478-F480 VanDerWaalsContact C-N 3.3Š|
| 481 | L | 35.3 | Very low | 27.8 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 37% | 0.372 | 76% | 0.755 | S | S | . | * | G | 310 helix | trans | -96.4 | -17.8 | -176.6 | -76.9 | 169.2 | 0 | 0 | 0 | 114.7 | E479 | E479-L481 PolarHBondContact O-N 3.06Å; E479-L481 VanDerWaalsContact O-N 3.16Å |
| 482 | F | 38.4 | Very low | 27.7 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 51% | 0.509 | 76% | 0.76 | S | S | . | * | trans | -154 | 75.7 | -176.5 | -56.3 | -77.1 | 0 | 0 | 0 | 113 | ||||
| 483 | P | 30.9 | Very low | 28 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -75.6 | 130.4 | 165.4 | 28.5 | -28.8 | 0 | 0 | 0 | 110.1 | C485 | P483-C485 PolarHBondContact O-N 3.47Š| ||
| 484 | D | 25 | Very low | 28 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -60 | 96.2 | 176.6 | -76.2 | -42.8 | 0 | 0 | 0 | 111.3 | K486 | D484-K486 PolarHBondContact O-N 2.98Š| ||
| 485 | C | 29.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -77.3 | 116.9 | 174.6 | -79 | 0 | 0 | 0 | 0 | 111.5 | P483 S487 | P483-C485 PolarHBondContact O-N 3.47Å; C485-S487 PolarHBondContact O-N 3.05Å | ||
| 486 | K | 25.9 | Very low | 28.1 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 118 | 173.6 | -70 | 179.2 | 178.9 | 174.8 | 0 | 111.9 | D484 | D484-K486 PolarHBondContact O-N 2.98Š| ||
| 487 | S | 27.1 | Very low | 28 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 34.5 | 112.5 | 144.2 | 167.5 | 0 | 0 | 0 | 0 | 119.8 | C485 H489 | C485-S487 PolarHBondContact O-N 3.05Å; S487-H489 PolarHBondContact OG-CD2 2.75Å | ||
| 488 | S | 29.1 | Very low | 27.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -125.4 | 98 | 133 | 62.1 | 0 | 0 | 0 | 0 | 108.7 | L490 | S488-L490 PolarHBondContact O-N 3.01Š| ||
| 489 | H | 28.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -63 | 111.5 | 177.8 | -86.2 | -85.2 | 0 | 0 | 0 | 111.2 | S487 | S487-H489 PolarHBondContact OG-CD2 2.75Š| ||
| 490 | L | 27.2 | Very low | 27.3 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 130.8 | 153.6 | -84.5 | 161.8 | 0 | 0 | 0 | 108 | S488 | S488-L490 PolarHBondContact O-N 3.01Š|
| 491 | P | 24.8 | Very low | 26.8 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.3 | -175.9 | 27.8 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 492 | P | 25.3 | Very low | 26 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.5 | 177.3 | 24.8 | -31.4 | 0 | 0 | 0 | 111.3 | P494 | P492-P494 WeakPolarHBondContact O-CD 3.45Š|
| 493 | I | 26 | Very low | 25.3 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 118.7 | 179.9 | -62.1 | 167.7 | 0 | 0 | 0 | 108.7 | ||
| 494 | P | 23.9 | Very low | 24.9 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 147.9 | 177.8 | 26.4 | -31.8 | 0 | 0 | 0 | 111.5 | P492 | P492-P494 WeakPolarHBondContact O-CD 3.45Š|
| 495 | P | 24.2 | Very low | 24.7 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 138.9 | 177 | 25.1 | -31.4 | 0 | 0 | 0 | 110.7 | ||
| 496 | R | 26.8 | Very low | 24.5 | Very low | 230 Ų | 230 | 151.1 Ų | 151.1 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 134.4 | -173.5 | -167.3 | -178.2 | -70.9 | -117.6 | 2.6 | 110.9 | F498 | R496-F498 PolarHBondContact O-N 3.29Š|
| 497 | P | 23.8 | Very low | 24.3 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.4 | 172.8 | -19.2 | 30.7 | 0 | 0 | 0 | 110.9 | V499 | P497-V499 PolarHBondContact O-N 3.38Š|
| 498 | F | 22.3 | Very low | 24 | Very low | 191 Ų | 191 | 149 Ų | 149 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.4 | 170.2 | -114.3 | -101.6 | 0 | 0 | 0 | 108.8 | R496 | R496-F498 PolarHBondContact O-N 3.29Š|
| 499 | V | 25.5 | Very low | 23.7 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -98.8 | 102.3 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 106 | P497 F501 | P497-V499 PolarHBondContact O-N 3.38Å; V499-F501 PolarHBondContact O-N 3.25Å | ||
| 500 | D | 20.7 | Very low | 23.3 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -64.9 | 118.5 | 175.7 | -71.8 | -40 | 0 | 0 | 0 | 109.9 | ||||
| 501 | F | 22.8 | Very low | 22.9 | Very low | 200 Ų | 200 | 153.3 Ų | 153.3 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 69.2 | 168.9 | -105.4 | -84.7 | 0 | 0 | 0 | 108.7 | V499 | V499-F501 PolarHBondContact O-N 3.25Š| ||
| 502 | E | 19.3 | Very low | 22.7 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 94.3 | 169.2 | -92.9 | -73.5 | 155.2 | 0 | 0 | 108 | ||||
| 503 | Q | 23.6 | Very low | 22.8 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | 153 | 117.9 | 127.4 | -81.8 | -176.8 | 3.3 | 0 | 0 | 113.7 | |||||
| 504 | T | 22.4 | Very low | 22.4 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 71.8 | 109.2 | 137.6 | 50.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 505 | K | 21.3 | Very low | 22.3 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | 50.6 | 118.3 | 114 | -70.1 | -178.3 | 176.9 | 178.9 | 0 | 119 | |||||
| 506 | H | 23.8 | Very low | 22.1 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 52.9 | 97.7 | 142.5 | -68.3 | -73.9 | 0 | 0 | 0 | 118.6 | ||||
| 507 | S | 22.6 | Very low | 22.1 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -156.7 | 109.4 | 131.4 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 508 | T | 20.2 | Very low | 21.8 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -60.9 | 127.6 | 151.7 | 30 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 509 | L | 22 | Very low | 21.7 | Very low | 155 Ų | 155 | 158.9 Ų | 158.9 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -176.2 | 121.2 | 139.6 | -101.7 | 160.4 | 0 | 0 | 0 | 113.3 | ||||
| 510 | N | 20.9 | Very low | 21.6 | Very low | 145 Ų | 145 | 160.2 Ų | 160.2 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 47.1 | 113.9 | 141.1 | -69.1 | -10.1 | 0 | 0 | 0 | 123.6 | S512 | N510-S512 PolarHBondContact O-N 3.45Š| ||
| 511 | R | 18.3 | Very low | 22.2 | Very low | 245 Ų | 245 | 158.7 Ų | 158.7 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -40.5 | 109.2 | 140 | -178.2 | -171.2 | -154.5 | -172.6 | 5.5 | 113.7 | ||||
| 512 | S | 21.7 | Very low | 22.2 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | 158.5 | 112.4 | 129.3 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | N510 | N510-S512 PolarHBondContact O-N 3.45Š| |||
| 513 | E | 25.8 | Very low | 22.8 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -173.5 | 104.6 | 134.5 | -103.2 | 172 | -173.7 | 0 | 0 | 110 | ||||
| 514 | L | 17.7 | Very low | 22.6 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 124.7 | 154 | -95.9 | 140.1 | 0 | 0 | 0 | 107.3 | ||||
| 515 | K | 22 | Very low | 22.8 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -147.3 | 116.6 | 146.6 | -102.8 | 174.6 | -170.1 | 172.3 | 0 | 110.2 | ||||
| 516 | S | 20.5 | Very low | 22.9 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -32.4 | 126.9 | 156.9 | 44.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 517 | E | 26.2 | Very low | 22.7 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -106.1 | 128.9 | 149.1 | -82.4 | -174.6 | 146 | 0 | 0 | 108.8 | ||||
| 518 | Q | 18.8 | Very low | 22.8 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -124.4 | 151.6 | -173.9 | -154.5 | -171.7 | 15.4 | 0 | 0 | 106.8 | ||||
| 519 | L | 20.6 | Very low | 22.8 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | 84.7 | 136.8 | 164.7 | -59.6 | 147.6 | 0 | 0 | 0 | 115.4 | ||||
| 520 | N | 22.1 | Very low | 22.8 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | cis | -161.5 | 159 | 28.2 | -113.7 | -25.7 | 0 | 0 | 0 | 113.1 | ||||
| 521 | P | 33.7 | Very low | 22.8 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | -102.8 | 149.1 | 177.3 | 37.8 | -28.2 | 0 | 0 | 0 | 113.2 | ||||
| 522 | S | 22.4 | Very low | 23 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 174.3 | 108.4 | 147.5 | 29.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 523 | Q | 32.2 | Very low | 23.1 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -169 | 110.1 | 140.3 | -105 | 172.4 | 26.5 | 0 | 0 | 109.9 | ||||
| 524 | S | 20.3 | Very low | 23.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -91.4 | 137 | 173 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 525 | L | 26.2 | Very low | 23.3 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -162.9 | 109.2 | 142 | -138.9 | 74.9 | 0 | 0 | 0 | 112.8 | ||||
| 526 | V | 22.8 | Very low | 23.3 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 70% | 0.703 | 81% | 0.814 | S | S | * | * | 50.1 | 95.1 | 129.4 | -175.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 527 | T | 20.5 | Very low | 23.5 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | 59.9 | 111.9 | 95.7 | 60.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 528 | T | 23.3 | Very low | 23.2 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 93% | 0.933 | 80% | 0.803 | S | S | * | * | trans | -141.7 | 143.5 | 136.8 | 14.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 529 | D | 21.4 | Very low | 23.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -89.3 | 163.5 | -151 | -100.8 | -42.1 | 0 | 0 | 0 | 115.7 | ||||
| 530 | Q | 21 | Very low | 23.5 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 79.1 | 95.8 | 155.7 | -71.6 | 173 | 35.7 | 0 | 0 | 119.8 | ||||
| 531 | C | 22 | Very low | 23.5 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | -156.4 | 118.6 | 116.1 | -98.3 | 0 | 0 | 0 | 0 | 109.7 | S533 | C531-S533 PolarHBondContact O-N 2.87Š| |||
| 532 | A | 22.1 | Very low | 22.8 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 95% | 0.95 | 82% | 0.818 | S | S | * | * | trans | -70.2 | 117.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 533 | S | 23.1 | Very low | 22.7 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -121.1 | 138.7 | 163.6 | 42.9 | 0 | 0 | 0 | 0 | 108.5 | C531 K535 | C531-S533 PolarHBondContact O-N 2.87Å; S533-K535 PolarHBondContact O-N 3.47Å | ||
| 534 | P | 26.6 | Very low | 22 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 127.4 | -171.4 | -11.6 | 27.5 | 0 | 0 | 0 | 111.5 | ||||
| 535 | K | 20.7 | Very low | 22 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -61.3 | 140.1 | 165.5 | -63.1 | 168.2 | 174.8 | 173.3 | 0 | 109.8 | S533 | S533-K535 PolarHBondContact O-N 3.47Š| ||
| 536 | L | 23.3 | Very low | 21.5 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 176.9 | 133.5 | 105 | -95.7 | 145.9 | 0 | 0 | 0 | 112.8 | |||||
| 537 | L | 23.7 | Very low | 21.4 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 79.1 | 88.9 | 148.2 | -71.4 | 154.9 | 0 | 0 | 0 | 119.5 | ||||
| 538 | S | 19.5 | Very low | 21.3 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -55.4 | 134.3 | 135.6 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 539 | T | 24.6 | Very low | 21.1 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 130.1 | 137.5 | 20.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 540 | N | 21.5 | Very low | 21 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 169.2 | 177.1 | -72.8 | -55.5 | 0 | 0 | 0 | 112.8 | ||||
| 541 | Y | 22.7 | Very low | 20.8 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 96.8 | 114.6 | 149.1 | -87.9 | -82.5 | 0 | 0 | 0 | 119.8 | ||||
| 542 | C | 18.1 | Very low | 20.9 | Very low | 117 Ų | 117 | 142 Ų | 142 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -37.6 | 137.3 | 149.8 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 543 | K | 21.8 | Very low | 20.8 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -159.6 | 124.2 | 132.6 | -110 | 172.1 | -173.6 | 179 | 0 | 110.7 | ||||
| 544 | S | 16.6 | Very low | 20.6 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -50.2 | 130.9 | 154.2 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 545 | F | 20.5 | Very low | 20.3 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -158.1 | 119 | 138.9 | -109.2 | -78.5 | 0 | 0 | 0 | 109.5 | ||||
| 546 | S | 16.5 | Very low | 20.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 125.9 | 156.7 | 43.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 547 | V | 20.8 | Very low | 20.3 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -146.1 | 122.2 | 149.4 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 548 | S | 17.5 | Very low | 20.3 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -69.9 | 160.6 | 166.6 | 36.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 549 | E | 18.3 | Very low | 20.4 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 73.5 | 105.3 | 165.5 | -64.8 | 178 | 158.1 | 0 | 0 | 117.4 | ||||
| 550 | S | 20.3 | Very low | 20.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 174.3 | 132.5 | 97.9 | 40.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 551 | L | 16.7 | Very low | 20.5 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.1 | 168 | -75.1 | 137 | 0 | 0 | 0 | 111 | ||
| 552 | P | 24 | Very low | 20.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 124.6 | 150.9 | 16.7 | 1 | 0 | 0 | 0 | 109.8 | ||
| 553 | V | 20.1 | Very low | 20.7 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 139 | 168.5 | 168.6 | 0 | 0 | 0 | 0 | 110 | ||
| 554 | G | 19.6 | Very low | 20.8 | Very low | 54 Ų | 54 | 129 Ų | 129 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | trans | 87.3 | 119.5 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 555 | D | 19.1 | Very low | 21.2 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 67.2 | 112.2 | 141.9 | -55.7 | -28.3 | 0 | 0 | 0 | 119 | ||||
| 556 | V | 23.7 | Very low | 21.4 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | -172 | 126.2 | 96.2 | 156.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 557 | S | 19.9 | Very low | 21.7 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -59 | 127.5 | 163.7 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 558 | Q | 24.8 | Very low | 21.8 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -149.9 | 107.5 | 151.6 | -107 | 174.3 | 11.8 | 0 | 0 | 110.3 | ||||
| 559 | S | 21.4 | Very low | 22.1 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 13.9 | 120.8 | 138.6 | 56.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 560 | N | 23.9 | Very low | 22.3 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | 172.1 | 123.9 | 105.3 | -91.2 | -27.9 | 0 | 0 | 0 | 113.5 | |||||
| 561 | I | 24.3 | Very low | 22.4 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 80.2 | 135 | 136.3 | -58.4 | 168.8 | 0 | 0 | 0 | 117.7 | ||||
| 562 | P | 22.3 | Very low | 22.7 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -96.4 | 135.5 | -150.1 | 33.1 | -22.6 | 0 | 0 | 0 | 113.1 | T564 | P562-T564 PolarHBondContact O-N 3.09Š| ||
| 563 | A | 23.2 | Very low | 22.6 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 99.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 564 | T | 22.8 | Very low | 22.9 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 116.5 | 159.1 | 49 | 0 | 0 | 0 | 0 | 109.2 | P562 | P562-T564 PolarHBondContact O-N 3.09Š| ||
| 565 | S | 25.4 | Very low | 23 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 169 | 76.2 | 149.1 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 566 | S | 24.3 | Very low | 23.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -124.8 | 76.8 | 156.2 | 65.5 | 0 | 0 | 0 | 0 | 107.6 | T568 | S566-T568 VanDerWaalsContact C-N 3.31Å; S566-T568 PolarHBondContact O-N 3.25Å; S566-T568 VanDerWaalsContact O-N 3.17Å | ||
| 567 | V | 24.4 | Very low | 23.1 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -82.4 | 88.4 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 568 | T | 21.7 | Very low | 23.4 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 141.1 | 139.8 | 40.1 | 0 | 0 | 0 | 0 | 108.7 | S566 | S566-T568 VanDerWaalsContact C-N 3.31Å; S566-T568 PolarHBondContact O-N 3.25Å; S566-T568 VanDerWaalsContact O-N 3.17Å | ||
| 569 | N | 24.1 | Very low | 23.4 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 102 | 81 | 176.5 | -56.2 | -22.9 | 0 | 0 | 0 | 115.9 | ||||
| 570 | L | 23 | Very low | 23.8 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -137.4 | 66.7 | 131.9 | -77.4 | -179.6 | 0 | 0 | 0 | 108.2 | ||||
| 571 | L | 21.9 | Very low | 23.9 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -110.3 | 84.6 | 157.8 | -83.7 | 172.8 | 0 | 0 | 0 | 106.3 | ||||
| 572 | S | 23 | Very low | 24.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 172.9 | 78.7 | 159.5 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 573 | E | 22.5 | Very low | 24.3 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -145.9 | 110.7 | 152.2 | -89.2 | -149.1 | 171 | 0 | 0 | 109.8 | ||
| 574 | F | 24.9 | Very low | 24.5 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | trans | 74.8 | 86.2 | 155 | -62.2 | -73.7 | 0 | 0 | 0 | 120.4 | ||||
| 575 | S | 23.2 | Very low | 24.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 53.5 | 103.7 | 128.8 | -72.5 | 0 | 0 | 0 | 0 | 119.6 | C577 | S575-C577 PolarHBondContact O-N 3.19Š| |||
| 576 | L | 22.1 | Very low | 24.5 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 104.8 | 140.9 | -78.3 | 94.4 | 0 | 0 | 0 | 109.8 | S578 | L576-S578 PolarHBondContact O-N 3.09Š| ||
| 577 | C | 22.9 | Very low | 24.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 108.9 | 150.1 | -91.3 | 0 | 0 | 0 | 0 | 107.5 | S575 | S575-C577 PolarHBondContact O-N 3.19Š| ||
| 578 | S | 24.6 | Very low | 24.6 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -38.7 | 128 | 177 | 173 | 0 | 0 | 0 | 0 | 114.2 | L576 N580 | L576-S578 PolarHBondContact O-N 3.09Å; S578-N580 PolarHBondContact O-N 3.42Å | ||
| 579 | M | 25.4 | Very low | 24.8 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 58.7 | 170.1 | -78.8 | -130.9 | -75.7 | 0 | 0 | 113 | ||
| 580 | N | 29.6 | Very low | 24.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 66% | 0.658 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 5.1 | 175.9 | -88.5 | -18.3 | 0 | 0 | 0 | 116.6 | S578 | S578-N580 PolarHBondContact O-N 3.42Š|
| 581 | D | 27.2 | Very low | 24.6 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -111.3 | 17 | 177.5 | -75.8 | -34.1 | 0 | 0 | 0 | 115.5 | ||
| 582 | V | 28 | Very low | 24.8 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -108.4 | -10.2 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 113 | ||
| 583 | F | 26 | Very low | 24.6 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -98 | 11.9 | 176.3 | -91 | -76.9 | 0 | 0 | 0 | 115.3 | ||
| 584 | A | 26.9 | Very low | 24.7 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -119.1 | 30.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 585 | S | 26 | Very low | 24.6 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -131.6 | 32.3 | 169.7 | -150 | 0 | 0 | 0 | 0 | 114.4 | ||
| 586 | S | 23.1 | Very low | 24.7 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -109.5 | 15.6 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 587 | A | 24.1 | Very low | 24.7 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -154.6 | 40.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 588 | V | 26.3 | Very low | 24.7 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -150.1 | 102.2 | 152.3 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 589 | A | 26.8 | Very low | 24.5 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 159.4 | 48.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 590 | V | 20.3 | Very low | 24.5 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | trans | -86.9 | 100.6 | 153.7 | 174.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 591 | A | 22.4 | Very low | 24 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 154 | 102 | 143.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 592 | A | 25.5 | Very low | 23.9 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -170.2 | 86.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 593 | C | 19.7 | Very low | 23.4 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -66.9 | 162.2 | 151.7 | -75.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 594 | A | 23.3 | Very low | 23.3 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 98.8 | 96 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 595 | T | 24.1 | Very low | 23.1 | Very low | 128 Ų | 128 | 117 Ų | 117 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 56.9 | 129.2 | 125.3 | 52.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 596 | S | 24.4 | Very low | 22.9 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 93.8 | 117.8 | 134.4 | 73.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 597 | L | 22.8 | Very low | 23.8 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 71.8 | 134.3 | 130.6 | -67.2 | 164.8 | 0 | 0 | 0 | 120.3 | ||||
| 598 | G | 21.7 | Very low | 23.8 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 97.2 | 94.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 599 | A | 20.4 | Very low | 24.2 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | 54.4 | 105.5 | 84.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 600 | V | 26.8 | Very low | 23.8 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -165 | 115.5 | 132.6 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | V602 | V600-V602 HydrophobicContact CG1-CG2 4.05Š| ||
| 601 | D | 17.8 | Very low | 24 | Very low | 159 Ų | 159 | 118.8 Ų | 118.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 130.9 | 155.4 | -83.9 | -50.3 | 0 | 0 | 0 | 109.8 | ||||
| 602 | V | 26.3 | Very low | 23.9 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -147.5 | 109.3 | 144.8 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | V600 | V600-V602 HydrophobicContact CG1-CG2 4.05Š| ||
| 603 | S | 17.7 | Very low | 23.7 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -60.1 | 135.5 | 155.4 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 604 | C | 23 | Very low | 23.7 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -175.3 | 109.9 | 140.3 | -109.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 605 | T | 22.2 | Very low | 23.9 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | 50.4 | 105.8 | 125 | 53.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 606 | T | 22.1 | Very low | 23.6 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | 61 | 141.7 | 124.1 | 53.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 607 | P | 42.3 | Very low | 23.6 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -104.1 | 161.9 | -170 | 41.4 | -33.2 | 0 | 0 | 0 | 114.9 | ||||
| 608 | P | 25.3 | Very low | 23.5 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -150.3 | -177 | 139.8 | 36.8 | -18.4 | 0 | 0 | 0 | 113.4 | ||||
| 609 | P | 34.2 | Very low | 23.7 | Very low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -134.7 | 170.7 | -33.5 | 30.7 | -11.6 | 0 | 0 | 0 | 113.9 | ||||
| 610 | S | 18.8 | Very low | 23.8 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 135.6 | 156.1 | 38.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 611 | L | 23.9 | Very low | 24 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 144.3 | 164.8 | -96.1 | 164.7 | 0 | 0 | 0 | 110.7 | ||||
| 612 | S | 20.3 | Very low | 24.1 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 152.8 | -167.3 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 613 | S | 20.4 | Very low | 24 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 20.4 | 115.7 | 143.5 | 63 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 614 | S | 21.1 | Very low | 24.3 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | 164.9 | 127.4 | 118.5 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 615 | S | 25.9 | Very low | 24.1 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -159.7 | 106.9 | 148.1 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 616 | V | 19.1 | Very low | 24.1 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 133.3 | 165.9 | 167.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 617 | A | 24.8 | Very low | 24 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -153.1 | 101.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 618 | A | 19.5 | Very low | 23 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | 65.1 | 107.5 | 84.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 619 | I | 26.2 | Very low | 22.7 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -167.2 | 135.8 | 134.8 | -87.1 | 147.3 | 0 | 0 | 0 | 108 | ||||
| 620 | D | 22.6 | Very low | 22.1 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -72 | 166.9 | -168.5 | -118.6 | -16.5 | 0 | 0 | 0 | 116 | ||||
| 621 | P | 30.2 | Very low | 22.1 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -103.5 | 152.1 | -177.6 | 38.8 | -29.5 | 0 | 0 | 0 | 114 | ||||
| 622 | S | 20.6 | Very low | 22 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -175.9 | 159.3 | 149.3 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 623 | C | 23.9 | Very low | 22.1 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 87.2 | 83.2 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 624 | S | 23.7 | Very low | 22.1 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 73.6 | 106.3 | 68.7 | 77.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 625 | K | 18.3 | Very low | 22.1 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -17 | 146.3 | 155.1 | -64 | 173.2 | 173.5 | -178.4 | 0 | 117.1 | ||||
| 626 | L | 22.8 | Very low | 21.8 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | -165.2 | 125.4 | 126.4 | -101 | 161.6 | 0 | 0 | 0 | 110.5 | |||||
| 627 | D | 19.3 | Very low | 21.8 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 148.7 | 163.9 | -59.6 | -73.5 | 0 | 0 | 0 | 110.9 | ||||
| 628 | D | 22.4 | Very low | 21.5 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | 174.6 | 135.3 | 122.6 | -96.6 | -36.3 | 0 | 0 | 0 | 113.5 | |||||
| 629 | V | 18.9 | Very low | 21.5 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 139.8 | 167.7 | 167.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 630 | P | 21.8 | Very low | 21.1 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -137.9 | 121.7 | 127 | 25.1 | -7 | 0 | 0 | 0 | 110 | |||||
| 631 | S | 19.2 | Very low | 21.1 | Very low | 92 Ų | 92 | 147 Ų | 147 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | 63.5 | 126.7 | 83.1 | 76.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 632 | S | 20.3 | Very low | 20.5 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | 68.5 | 113.5 | 150.3 | 63.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 633 | D | 23 | Very low | 20.5 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 176.3 | 117.5 | 102.3 | -94.4 | -30.5 | 0 | 0 | 0 | 109.4 | |||||
| 634 | K | 21.1 | Very low | 20.5 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 70 | 135.9 | 89.3 | -82.3 | -173.5 | -178 | 169.6 | 0 | 115.7 | |||||
| 635 | S | 20.6 | Very low | 20.3 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 83.4 | 106.1 | 166.6 | 72.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 636 | F | 18.9 | Very low | 20.8 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | 48.1 | 99.9 | 79.2 | -93.3 | -93 | 0 | 0 | 0 | 113 | |||||
| 637 | Q | 20.3 | Very low | 20.7 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | 179 | 125.2 | 110 | -100.8 | 173.4 | -12.1 | 0 | 0 | 111.3 | |||||
| 638 | R | 17.2 | Very low | 21.1 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -59.6 | 132.5 | 151.2 | -66.8 | 175.7 | 177.3 | 169.5 | -1.4 | 107.7 | ||||
| 639 | H | 20.7 | Very low | 21.3 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | -177.8 | 128 | 126.3 | -99.6 | -71.1 | 0 | 0 | 0 | 110 | |||||
| 640 | F | 18 | Very low | 21.6 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.7 | 170.5 | -82.5 | -99.5 | 0 | 0 | 0 | 111.6 | ||
| 641 | P | 22.4 | Very low | 21.5 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 137.4 | 157.6 | 28.6 | -16.1 | 0 | 0 | 0 | 111.1 | ||
| 642 | I | 17.7 | Very low | 22 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.4 | 174.2 | -77.1 | 160.4 | 0 | 0 | 0 | 109.8 | ||
| 643 | L | 19.7 | Very low | 22.2 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 72.5 | 111.4 | 150.3 | -156.6 | 74.7 | 0 | 0 | 0 | 118.9 | ||||
| 644 | A | 25.1 | Very low | 22.3 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -133.3 | 121.2 | 148 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 645 | T | 19.8 | Very low | 22.2 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 138.4 | 175.9 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 646 | S | 27.8 | Very low | 22.3 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -177.3 | 130.6 | 135.2 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 647 | T | 20.2 | Very low | 22.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -81.2 | 155.4 | 176.1 | 34.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 648 | P | 29.2 | Very low | 22.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | -142.4 | 172.8 | 89.9 | 28.5 | -6.4 | 0 | 0 | 0 | 115.3 | |||||
| 649 | P | 25.4 | Very low | 22.7 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 167 | -148.3 | 40.8 | -31.2 | 0 | 0 | 0 | 115.8 | ||||
| 650 | G | 24.6 | Very low | 22.8 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 163.4 | 71.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 651 | S | 20.4 | Very low | 23 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 173.9 | 167 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 652 | P | 29.9 | Very low | 22.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -145.4 | 174 | 16.7 | 39.7 | -18.3 | 0 | 0 | 0 | 117.8 | ||||
| 653 | N | 24 | Very low | 23.1 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 118.9 | 105.9 | 141.1 | -76.2 | -25.2 | 0 | 0 | 0 | 120 | ||||
| 654 | V | 24.7 | Very low | 23.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | 84.8 | 99.4 | 122.7 | -178.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 655 | K | 20.2 | Very low | 23.2 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | 64.7 | 130.2 | 126.2 | -69.4 | -175.8 | 179.5 | 176.2 | 0 | 121.4 | |||||
| 656 | Q | 22.4 | Very low | 23.4 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 95.9 | 104 | 135.5 | -81.2 | 177.4 | -0.6 | 0 | 0 | 119.2 | ||||
| 657 | N | 20.6 | Very low | 23.3 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | 72.3 | 140.4 | 123.8 | -70.4 | -4.5 | 0 | 0 | 0 | 121.4 | |||||
| 658 | S | 23.5 | Very low | 23.5 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 79.4 | 94.7 | 159.8 | 54.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 659 | S | 21 | Very low | 23.2 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 41.3 | 100.4 | 121.4 | 63.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 660 | S | 22.2 | Very low | 23.1 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | -158.5 | 120.6 | 118.5 | 34.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 661 | T | 22.9 | Very low | 23.1 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -59.9 | 131.1 | 178.1 | 33.8 | 0 | 0 | 0 | 0 | 111.4 | T663 | T661-T663 PolarHBondContact O-N 2.77Š| ||
| 662 | E | 19.2 | Very low | 23.3 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -49.5 | 121.2 | 165.8 | -63.3 | 168.7 | 144.8 | 0 | 0 | 111.3 | ||||
| 663 | T | 22.8 | Very low | 23.1 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -110.4 | 116 | 152.5 | 35 | 0 | 0 | 0 | 0 | 108.2 | T661 | T661-T663 PolarHBondContact O-N 2.77Š| ||
| 664 | H | 23.5 | Very low | 23.3 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -50.3 | 131.3 | 173.2 | -85.4 | -99.8 | 0 | 0 | 0 | 112.9 | ||||
| 665 | V | 22.3 | Very low | 23.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | 23.8 | 105.7 | 128.3 | -170.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 666 | N | 24.5 | Very low | 23.7 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 109.5 | 140.3 | -99.6 | -25 | 0 | 0 | 0 | 110.1 | ||||
| 667 | N | 26.3 | Very low | 23.9 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 39.4 | 93 | 153.6 | -65 | -14.7 | 0 | 0 | 0 | 117.4 | S669 | N667-S669 PolarHBondContact O-N 2.87Å; N667-S669 VanDerWaalsContact O-N 3.08Å | ||
| 668 | S | 23.8 | Very low | 24.4 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -47.8 | 113 | 150.2 | 40.6 | 0 | 0 | 0 | 0 | 109.8 | C670 | S668-C670 PolarHBondContact O-N 3.43Š| ||
| 669 | S | 23.1 | Very low | 25.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -42.2 | 96.3 | 158.5 | 36.1 | 0 | 0 | 0 | 0 | 110.6 | N667 I671 | N667-S669 PolarHBondContact O-N 2.87Å; N667-S669 VanDerWaalsContact O-N 3.08Å; S669-I671 PolarHBondContact O-N 3.35Å | ||
| 670 | C | 23.8 | Very low | 26 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -54.7 | 113.2 | 153.2 | 40.9 | 0 | 0 | 0 | 0 | 107 | S668 S672 | S668-C670 PolarHBondContact O-N 3.43Å; C670-S672 PolarHBondContact O-N 2.94Å | ||
| 671 | I | 23.6 | Very low | 27.5 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -57.4 | 89.2 | 171.1 | -61.9 | 165.6 | 0 | 0 | 0 | 106.3 | S669 S673 | S669-I671 PolarHBondContact O-N 3.35Å; I671-S673 PolarHBondContact O-N 2.99Å; I671-S673 VanDerWaalsContact O-N 3.13Å | ||
| 672 | S | 24.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -65.7 | 109 | 163.2 | 45.3 | 0 | 0 | 0 | 0 | 106.2 | C670 S674 | C670-S672 PolarHBondContact O-N 2.94Å; S672-S674 PolarHBondContact O-N 2.83Å | ||
| 673 | S | 26.9 | Very low | 32 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -33.1 | 98.7 | 162.4 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | I671 S675 | I671-S673 PolarHBondContact O-N 2.99Å; I671-S673 VanDerWaalsContact O-N 3.13Å; S673-S675 PolarHBondContact O-N 2.81Å; S673-S675 VanDerWaalsContact O-N 3.15Å | ||
| 674 | S | 27.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | -68.1 | 114 | -178 | 62.1 | 0 | 0 | 0 | 0 | 108.3 | S672 V676 | S672-S674 PolarHBondContact O-N 2.83Å; S674-V676 PolarHBondContact O-N 3.35Å | ||
| 675 | S | 24.5 | Very low | 37.4 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | 25.2 | 88.9 | 148.1 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | S673 V677 | S673-S675 PolarHBondContact O-N 2.81Å; S673-S675 VanDerWaalsContact O-N 3.15Å; S675-V677 VanDerWaalsContact C-N 3.26Å; S675-V677 PolarHBondContact O-N 3.22Å | ||
| 676 | V | 28.2 | Very low | 40.3 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | trans | -58.8 | 100.5 | 153 | 177.4 | 0 | 0 | 0 | 0 | 105.9 | S674 P678 | S674-V676 PolarHBondContact O-N 3.35Å; V676-P678 WeakPolarHBondContact O-CD 3.36Å | ||
| 677 | V | 26 | Very low | 43.3 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -55 | 118.7 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | S675 N679 | S675-V677 VanDerWaalsContact C-N 3.26Å; S675-V677 PolarHBondContact O-N 3.22Å; V677-N679 PolarHBondContact O-N 2.87Å | ||
| 678 | P | 33 | Very low | 46.5 | Very low | 86 Ų | 86 | 101 Ų | 101 | 56% | 0.558 | 59% | 0.594 | S | S | * | * | trans | -67 | 129.4 | -173.8 | -16.8 | 29.6 | 0 | 0 | 0 | 111.1 | V676 | V676-P678 WeakPolarHBondContact O-CD 3.36Š| ||
| 679 | N | 39 | Very low | 49.6 | Very low | 140 Ų | 140 | 95.8 Ų | 95.8 | 75% | 0.749 | 56% | 0.559 | S | S | * | * | trans | 62.9 | 66.4 | 149.2 | -57.5 | -22.8 | 0 | 0 | 0 | 118.1 | V677 F681 | V677-N679 PolarHBondContact O-N 2.87Å; N679-F681 PolarHBondContact O-N 3.48Å; N679-F681 VanDerWaalsContact O-N 3.08Å | ||
| 680 | Y | 37.9 | Very low | 52.8 | Low | 219 Ų | 219 | 91.4 Ų | 91.4 | 86% | 0.859 | 53% | 0.527 | S | S | * | . | trans | -64.7 | 105.4 | 150.2 | -96.3 | -84.9 | 0 | 0 | 0 | 109.3 | G682 | Y680-G682 PolarHBondContact O-N 3.46Š| ||
| 681 | F | 53.8 | Low | 56 | Low | 97 Ų | 97 | 85.9 Ų | 85.9 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | trans | -72.4 | 82.8 | 165.7 | -173 | -97.9 | 0 | 0 | 0 | 109.6 | L13 N679 V683 V772 | L13-F681 HydrophobicContact CD1-CB 3.4Å; L13-F681 HydrophobicContact CD1-CD1 4.43Å; L13-F681 HydrophobicContact CD1-CD2 3.37Å; L13-F681 HydrophobicContact CD1-CE2 4.17Å; L13-F681 HydrophobicContact CD1-CG 3.51Å; N679-F681 PolarHBondContact O-N 3.48Å; N679-F681 VanDerWaalsContact O-N 3.08Å; F681-V683 HydrophobicContact CD1-CG2 4.23Å; F681-V683 HydrophobicContact CE1-CG2 3.92Å; F681-V772 HydrophobicContact CD2-CG1 4.41Å; F681-V772 HydrophobicContact CE1-CG1 3.74Å; F681-V772 HydrophobicContact CE2-CG1 3.5Å; F681-V772 HydrophobicContact CZ-CG1 3.12Å | ||
| 682 | G | 60.2 | Low | 59.1 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 37% | 0.371 | 46% | 0.458 | S | S | . | . | trans | -76 | 128.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y680 G773 | Y680-G682 PolarHBondContact O-N 3.46Å; G682-G773 PolarHBondContact O-N 2.95Å | ||
| 683 | V | 76 | Confident | 62.2 | Low | 78 Ų | 78 | 76.1 Ų | 76.1 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.5 | 163.7 | -179 | 0 | 0 | 0 | 0 | 108 | F681 V770 M771 V772 | F681-V683 HydrophobicContact CD1-CG2 4.23Å; F681-V683 HydrophobicContact CE1-CG2 3.92Å; V683-V770 HydrophobicContact CG1-CB 4.12Å; V683-V770 HydrophobicContact CG1-CG1 4.31Å; V683-M771 CarbonylContact C-O 3.57Å; V683-M771 WeakPolarHBondContact CA-O 3.28Å; V683-V772 HydrophobicContact CG1-CG2 4.34Å; V683-V772 HydrophobicContact CG2-CG1 4.44Å; V683-V772 HydrophobicContact CG2-CG2 4.31Å |
| 684 | R | 75.5 | Confident | 65 | Low | 108 Ų | 108 | 72.2 Ų | 72.2 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120 | 178.3 | -167.8 | -178.5 | -168.3 | -137.7 | 3.1 | 110.2 | V686 V770 M771 | R684-V686 PolarHBondContact O-N 3.46Å; R684-V770 CarbonylContact O-C 3.55Å; R684-V770 VanDerWaalsContact O-CA 3.29Å; R684-V770 WeakPolarHBondContact O-CA 3.41Å; R684-M771 HydrophobicContact CB-CB 4.46Å; R684-M771 PolarHBondContact N-O 3.29Å; R684-M771 PolarHBondContact O-N 3.23Å |
| 685 | V | 85.3 | Confident | 67.6 | Low | 76 Ų | 76 | 68.7 Ų | 68.7 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.8 | 168.5 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | Q688 T768 V770 | V685-Q688 HydrophobicContact CG1-CB 4.44Å; V685-Q688 HydrophobicContact CG1-CG 4.45Å; V685-T768 HydrophobicContact CG1-CG2 3.74Å; V685-T768 HydrophobicContact CG2-CG2 4.19Å; V685-V770 HydrophobicContact CG2-CG1 4.15Å |
| 686 | V | 83 | Confident | 70 | Confident | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -46.1 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | R684 L769 M771 C1021 V1025 | R684-V686 PolarHBondContact O-N 3.46Å; V686-L769 HydrophobicContact CB-CB 4.45Å; V686-L769 HydrophobicContact CB-CD2 4Å; V686-L769 HydrophobicContact CB-CG 4.01Å; V686-L769 HydrophobicContact CG1-CD2 3.94Å; V686-L769 PolarHBondContact N-O 3.26Å; V686-M771 HydrophobicContact CG2-CB 4.42Å; V686-M771 HydrophobicContact CG2-CG 3.82Å; V686-M771 HydrophobicContact CG2-SD 4.06Å; V686-C1021 HydrophobicContact CG1-CB 4.09Å; V686-V1025 HydrophobicContact CB-CG2 4.2Å; V686-V1025 HydrophobicContact CG1-CG2 3.8Å; V686-V1025 HydrophobicContact CG2-CG2 3.74Å |
| 687 | C | 88 | Confident | 71.5 | Confident | 16 Ų | 16 | 67 Ų | 67 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 148 | 179.6 | -170 | 0 | 0 | 0 | 0 | 109.9 | L769 C1021 | C687-L769 HydrophobicContact CB-CB 4.3Å; C687-L769 HydrophobicContact CB-CD2 4.49Å; C687-L769 PolarHBondContact N-O 2.97Å; C687-L769 PolarHBondContact O-N 2.81Å; C687-C1021 HydrophobicContact CB-CB 4.13Å |
| 688 | Q | 91.6 | Very high | 72.5 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 153.7 | 173.3 | 62.2 | 178 | -27.2 | 0 | 0 | 112 | V685 W766 A767 T768 | V685-Q688 HydrophobicContact CG1-CB 4.44Å; V685-Q688 HydrophobicContact CG1-CG 4.45Å; Q688-W766 HydrophobicContact CB-CZ2 4.32Å; Q688-W766 HydrophobicContact CG-CZ2 4.09Å; Q688-A767 CarbonylContact C-O 3.56Å; Q688-A767 WeakPolarHBondContact CA-O 3.5Å; Q688-A767 WeakPolarHBondContact CB-O 3.44Å; Q688-T768 HydrophobicContact CB-CG2 4.18Å |
| 689 | G | 89 | Confident | 72.6 | Confident | 6 Ų | 6 | 76 Ų | 76 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A767 | G689-A767 PolarHBondContact N-O 2.73Å; G689-A767 PolarHBondContact O-N 2.87Å |
| 690 | V | 90.6 | Very high | 72.1 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.7 | 176.4 | -178 | 0 | 0 | 0 | 0 | 109.3 | R764 L765 W766 V791 F796 M910 | V690-R764 HydrophobicContact CG1-CG 4.49Å; V690-L765 WeakPolarHBondContact CA-O 3.38Å; V690-W766 HydrophobicContact CG2-CE3 3.79Å; V690-W766 HydrophobicContact CG2-CZ3 3.99Å; V690-V791 VanDerWaalsContact CG2-O 3.28Å; V690-V791 WeakPolarHBondContact CG2-O 3.33Å; V690-F796 HydrophobicContact CG1-CZ 4.18Å; V690-F796 HydrophobicContact CG2-CE2 4Å; V690-F796 HydrophobicContact CG2-CZ 3.96Å; V690-M910 HydrophobicContact CB-CB 4.25Å; V690-M910 HydrophobicContact CB-CG 4.47Å; V690-M910 HydrophobicContact CG1-CB 4.34Å; V690-M910 HydrophobicContact CG1-CG 4.04Å; V690-M910 PolarHBondContact O-N 3.02Å |
| 691 | V | 91 | Very high | 71.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.3 | 174.8 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | R764 L765 A767 F907 R908 W1018 | V691-R764 WeakPolarHBondContact O-CA 3.44Å; V691-L765 HydrophobicContact CG2-CB 4.31Å; V691-L765 PolarHBondContact N-O 3.44Å; V691-L765 PolarHBondContact O-N 3.4Å; V691-L765 VanDerWaalsContact O-O 3.13Å; V691-A767 HydrophobicContact CB-CB 4.37Å; V691-A767 HydrophobicContact CG1-CB 3.91Å; V691-A767 HydrophobicContact CG2-CB 3.49Å; V691-A767 VanDerWaalsContact CG2-CB 3.49Å; V691-F907 HydrophobicContact CB-CD1 4.2Å; V691-F907 HydrophobicContact CG2-CD1 3.82Å; V691-F907 HydrophobicContact CG2-CE1 4.23Å; V691-R908 CarbonylContact C-O 3.55Å; V691-R908 WeakPolarHBondContact CA-O 3.22Å; V691-W1018 HydrophobicContact CG1-CH2 4.44Å; V691-W1018 HydrophobicContact CG1-CZ2 3.9Å |
| 692 | Q | 90.4 | Very high | 70.3 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.6 | 162.6 | -55.9 | -175.8 | -27.3 | 0 | 0 | 108.7 | W762 R763 R764 F907 R908 M910 | Q692-W762 HydrophobicContact CB-CD2 4.29Å; Q692-W762 HydrophobicContact CB-CE3 3.55Å; Q692-W762 HydrophobicContact CB-CZ3 4.09Å; Q692-W762 WeakPolarHBondContact O-CZ3 3.42Å; Q692-R763 CarbonylContact C-O 3.53Å; Q692-R763 VanDerWaalsContact CA-O 3.28Å; Q692-R763 WeakPolarHBondContact CA-O 3.24Å; Q692-R764 HydrophobicContact CG-CG 4.08Å; Q692-F907 CarbonylContact O-C 3.47Å; Q692-F907 VanDerWaalsContact O-CA 3.22Å; Q692-F907 WeakPolarHBondContact O-CA 3.39Å; Q692-R908 HydrophobicContact CB-CB 4.19Å; Q692-R908 PolarHBondContact N-O 3.42Å; Q692-R908 PolarHBondContact O-N 2.84Å; Q692-M910 HydrophobicContact CG-CG 4.36Å; Q692-M910 HydrophobicContact CG-SD 4.05Å |
| 693 | R | 89.9 | Confident | 68.6 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 9% | 0.087 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142 | 175.5 | -170.8 | -172.9 | 71.8 | 179.5 | -1 | 111 | R763 L765 Y905 R906 F907 | R693-R763 PolarHBondContact N-O 2.76Å; R693-R763 PolarHBondContact O-N 3.17Å; R693-L765 HydrophobicContact CB-CD1 3.67Å; R693-L765 HydrophobicContact CG-CD1 4.45Å; R693-Y905 HydrophobicContact CG-CD1 4.27Å; R693-R906 CarbonylContact C-O 3.57Å; R693-R906 WeakPolarHBondContact CA-O 3.31Å; R693-F907 HydrophobicContact CB-CD1 3.97Å; R693-F907 HydrophobicContact CB-CE1 3.7Å; R693-F907 HydrophobicContact CB-CZ 4.48Å; R693-F907 HydrophobicContact CG-CD1 3.99Å; R693-F907 HydrophobicContact CG-CE1 3.43Å; R693-F907 VanDerWaalsContact CG-CE1 3.43Å; R693-F907 HydrophobicContact CG-CZ 3.71Å |
| 694 | R | 84.5 | Confident | 66.3 | Low | 32 Ų | 32 | 77.9 Ų | 77.9 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.3 | 159.9 | 62.3 | 163.1 | 133.6 | 145.4 | 147.4 | 110.5 | S760 W762 R906 | R694-S760 WeakPolarHBondContact CB-OG 3.29Å; R694-W762 HydrophobicContact CB-CE3 4.17Å; R694-W762 HydrophobicContact CB-CZ3 4.34Å; R694-W762 HydrophobicContact CG-CE3 4.13Å; R694-W762 HydrophobicContact CG-CH2 3.96Å; R694-W762 HydrophobicContact CG-CZ2 4.39Å; R694-W762 HydrophobicContact CG-CZ3 3.83Å; R694-W762 VanDerWaalsContact NE-CH2 3.3Å; R694-R906 HydrophobicContact CG-CB 3.71Å; R694-R906 PolarHBondContact N-O 3Å; R694-R906 VanDerWaalsContact NH2-CD 3.27Å; R694-R906 PolarHBondContact O-N 3.22Å |
| 695 | T | 81.5 | Confident | 64 | Low | 29 Ų | 29 | 79 Ų | 79 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 136.4 | 170.6 | -51.5 | 0 | 0 | 0 | 0 | 109.1 | Y697 S760 Y905 | T695-Y697 HydrophobicContact CG2-CE1 4.42Å; T695-S760 PolarHBondContact N-OG 3.24Å; T695-S760 VanDerWaalsContact N-OG 3.1Å; T695-Y905 HydrophobicContact CG2-CE1 4.36Å |
| 696 | V | 74.7 | Confident | 61 | Low | 40 Ų | 40 | 83 Ų | 83 | 24% | 0.242 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 109.9 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | L895 T904 R906 | V696-L895 HydrophobicContact CG2-CD2 4.2Å; V696-T904 WeakPolarHBondContact CA-O 3.46Å; V696-T904 HydrophobicContact CB-CG2 4.36Å; V696-T904 WeakPolarHBondContact CB-O 3.18Å; V696-T904 PolarHBondContact N-O 3.5Å; V696-R906 HydrophobicContact CG2-CB 3.93Å |
| 697 | Y | 59.8 | Low | 58.1 | Low | 157 Ų | 157 | 91 Ų | 91 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | trans | -75.8 | 123.6 | 173.7 | -60.9 | -77.1 | 0 | 0 | 0 | 109.1 | T695 | T695-Y697 HydrophobicContact CG2-CE1 4.42Š| ||
| 698 | R | 48.4 | Very low | 54.9 | Low | 204 Ų | 204 | 95.2 Ų | 95.2 | 77% | 0.77 | 51% | 0.507 | S | S | * | . | trans | -102.2 | 125.4 | 169.9 | -150.5 | -178.2 | -165.4 | 177.9 | 4.1 | 107.4 | T700 | R698-T700 PolarHBondContact O-N 2.65Š| ||
| 699 | F | 34.1 | Very low | 51.6 | Low | 176 Ų | 176 | 100.8 Ų | 100.8 | 77% | 0.772 | 53% | 0.53 | S | S | * | . | trans | -74.7 | 112.9 | 165.6 | -81.5 | -88.2 | 0 | 0 | 0 | 107.5 | P701 | F699-P701 WeakPolarHBondContact O-CD 3.36Š| ||
| 700 | T | 28.9 | Very low | 48.3 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | trans | -81.7 | 117.4 | 163.2 | 15 | 0 | 0 | 0 | 0 | 107.6 | R698 T702 | R698-T700 PolarHBondContact O-N 2.65Å; T700-T702 PolarHBondContact O-N 2.9Å | ||
| 701 | P | 25.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 113.8 Ų | 113.8 | 78% | 0.779 | 60% | 0.603 | S | S | * | * | trans | -68.4 | 116 | 170.3 | 26.2 | -28.1 | 0 | 0 | 0 | 108 | F699 T703 | F699-P701 WeakPolarHBondContact O-CD 3.36Å; P701-T703 PolarHBondContact O-N 3.5Å | ||
| 702 | T | 28 | Very low | 41.7 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -69.1 | 113.3 | 178.4 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | T700 | T700-T702 PolarHBondContact O-N 2.9Š| ||
| 703 | T | 24.7 | Very low | 38.5 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -85.9 | 98.3 | 166.7 | 33.8 | 0 | 0 | 0 | 0 | 109.4 | P701 | P701-T703 PolarHBondContact O-N 3.5Š| ||
| 704 | S | 27.5 | Very low | 35.1 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -133.1 | 102.6 | 167.2 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 705 | T | 26.6 | Very low | 32.2 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 44 | 112 | 135.3 | 51.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 706 | N | 22.4 | Very low | 29.5 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 12.9 | 106.1 | 135 | -69 | -18.6 | 0 | 0 | 0 | 117.2 | ||||
| 707 | Q | 22.9 | Very low | 27.6 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -158.2 | 118.1 | 138 | -107 | 169.6 | 27.8 | 0 | 0 | 109.3 | ||||
| 708 | S | 20 | Very low | 25.7 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -57 | 130.5 | 168 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 709 | F | 23.5 | Very low | 24.5 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | trans | -159.9 | 111.1 | 143.3 | -99.3 | -72.2 | 0 | 0 | 0 | 109.5 | ||||
| 710 | D | 19.2 | Very low | 23.8 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -53.4 | 136.2 | 154.7 | -68.4 | -56.7 | 0 | 0 | 0 | 109.5 | ||||
| 711 | T | 23.4 | Very low | 23.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | -173.7 | 123.3 | 129.5 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 712 | V | 20 | Very low | 23.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -63.7 | 130.5 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 713 | C | 22.4 | Very low | 22.9 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 91% | 0.905 | 80% | 0.796 | S | S | * | * | trans | -142.5 | 111.4 | 151.4 | -91.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 714 | S | 19.3 | Very low | 22.8 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -83 | 159.2 | 174.8 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 715 | N | 22.8 | Very low | 22.6 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | 97.5 | 102.5 | 148.7 | -62.5 | -17.4 | 0 | 0 | 0 | 121.2 | ||||
| 716 | S | 24.3 | Very low | 22.4 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | 87.3 | 166.4 | 111.9 | 86.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 717 | P | 35.4 | Very low | 22.4 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -130.1 | -168.3 | -116.1 | 32.6 | -7.8 | 0 | 0 | 0 | 114.9 | |||||
| 718 | M | 20.6 | Very low | 22.5 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 85.4 | 112.5 | 167.6 | -64.2 | -163.1 | 144.7 | 0 | 0 | 117.8 | ||||
| 719 | F | 23 | Very low | 22.7 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | -171.2 | 137 | 98.4 | -108.1 | -83.5 | 0 | 0 | 0 | 111.1 | |||||
| 720 | T | 18.9 | Very low | 22.7 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -92.9 | 132.2 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 721 | S | 21.6 | Very low | 22.9 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 166.3 | 132.7 | 133.6 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 722 | S | 21 | Very low | 22.8 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 59.1 | 102.7 | 146.3 | 68.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 723 | V | 21.2 | Very low | 22.8 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | 32.5 | 101.1 | 113.5 | -171 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 724 | H | 23.7 | Very low | 22.9 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | -154.6 | 112.2 | 122.1 | -104 | -71.9 | 0 | 0 | 0 | 108.6 | S726 | H724-S726 PolarHBondContact O-N 2.95Š| |||
| 725 | A | 22.6 | Very low | 23.1 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 97.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 726 | S | 22.4 | Very low | 23 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -98.2 | 103.3 | 165 | -54.8 | 0 | 0 | 0 | 0 | 107.9 | H724 S728 | H724-S726 PolarHBondContact O-N 2.95Å; S726-S728 PolarHBondContact O-N 3.34Å | ||
| 727 | N | 22.4 | Very low | 22.9 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 96 | 171.8 | -79.6 | -27.9 | 0 | 0 | 0 | 110.1 | ||||
| 728 | S | 24.4 | Very low | 22.2 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 134.1 | 156.6 | 52.8 | 0 | 0 | 0 | 0 | 108.9 | S726 | S726-S728 PolarHBondContact O-N 3.34Š| ||
| 729 | S | 24 | Very low | 22.3 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -44.1 | 147.9 | -178.2 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 730 | L | 24.2 | Very low | 22.4 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 83.3 | 87.7 | 157.5 | -57.1 | 151.4 | 0 | 0 | 0 | 117 | ||||
| 731 | S | 22.7 | Very low | 22.6 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | -174 | 114.4 | 124.5 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 732 | G | 22.6 | Very low | 22.8 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -134.5 | 51.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S734 | G732-S734 PolarHBondContact O-N 2.88Š| ||
| 733 | S | 20.5 | Very low | 23 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -79.3 | 107.5 | 168.4 | -52.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 734 | S | 22.9 | Very low | 23.1 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -158 | 109.7 | 157.8 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | G732 | G732-S734 PolarHBondContact O-N 2.88Š| ||
| 735 | V | 23.2 | Very low | 23.1 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 57.2 | 113.5 | 130.4 | -167.7 | 0 | 0 | 0 | 0 | 119.8 | V737 | V735-V737 HydrophobicContact CG1-CG2 4.44Š| ||
| 736 | I | 21.9 | Very low | 23 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -73.8 | 125.7 | 163 | -61.8 | 168 | 0 | 0 | 0 | 108.9 | S738 | I736-S738 WeakPolarHBondContact CG2-OG 3.27Š| ||
| 737 | V | 22.3 | Very low | 23.1 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -112.2 | 95.8 | 159.6 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | V735 | V735-V737 HydrophobicContact CG1-CG2 4.44Š| ||
| 738 | S | 20.9 | Very low | 23.1 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -98.3 | 107 | 170 | -65.4 | 0 | 0 | 0 | 0 | 108.1 | I736 | I736-S738 WeakPolarHBondContact CG2-OG 3.27Š| ||
| 739 | G | 22.7 | Very low | 23.1 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -125.3 | 112.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 740 | S | 23.8 | Very low | 23.5 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -75 | 142.3 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 741 | T | 24.2 | Very low | 23.6 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | 30.2 | 98.8 | 152.7 | 51.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 742 | A | 25.4 | Very low | 23.7 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -149.9 | 112.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 743 | T | 24.6 | Very low | 23.8 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -13.3 | 135.5 | 157.5 | 43.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 744 | K | 24 | Very low | 24.2 | Very low | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 49.4 | 122.4 | 145.3 | -70.8 | 180 | 176.8 | 176.3 | 0 | 117.9 | ||
| 745 | Q | 23.1 | Very low | 24.2 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 78.9 | 92.8 | 174.2 | -63.4 | 178.9 | -37.7 | 0 | 0 | 115.4 | ||||
| 746 | M | 21.7 | Very low | 24.8 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | -146.8 | 109.6 | 124.2 | -80.1 | -142.6 | 172.8 | 0 | 0 | 109.1 | |||||
| 747 | F | 23.6 | Very low | 25.5 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -65.2 | 142.7 | 167.5 | -84.8 | -104.3 | 0 | 0 | 0 | 109.8 | ||||
| 748 | Y | 22.7 | Very low | 26.2 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 42.1 | 100.4 | 152.1 | -78.2 | -99.2 | 0 | 0 | 0 | 118 | ||||
| 749 | N | 23.2 | Very low | 27.2 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -120.5 | 104.9 | 146.5 | -155.3 | -5 | 0 | 0 | 0 | 109.2 | S751 | N749-S751 VanDerWaalsContact C-N 3.27Å; N749-S751 PolarHBondContact O-N 3.15Å; N749-S751 PolarHBondContact OD1-OG 2.86Å | ||
| 750 | P | 33 | Very low | 28.9 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -82.9 | 14.1 | -171.7 | 32 | -32.4 | 0 | 0 | 0 | 114.8 | ||||
| 751 | S | 25.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -111.4 | 40.2 | -175.1 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | N749 | N749-S751 VanDerWaalsContact C-N 3.27Å; N749-S751 PolarHBondContact O-N 3.15Å; N749-S751 PolarHBondContact OD1-OG 2.86Å |
| 752 | S | 25.5 | Very low | 34.2 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | trans | -152.3 | 79.1 | 155.1 | 55.2 | 0 | 0 | 0 | 0 | 109 | C754 | S752-C754 PolarHBondContact O-N 3.01Š| ||
| 753 | T | 25.5 | Very low | 37 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | -70.4 | 79.5 | 165.3 | 44.6 | 0 | 0 | 0 | 0 | 108 | R755 | T753-R755 PolarHBondContact O-N 3.45Š| ||
| 754 | C | 27.4 | Very low | 40.1 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 78% | 0.777 | 67% | 0.669 | S | S | * | * | trans | -56 | 91.6 | 150.7 | -72.7 | 0 | 0 | 0 | 0 | 105.5 | S752 P756 | S752-C754 PolarHBondContact O-N 3.01Å; C754-P756 WeakPolarHBondContact O-CD 3.26Å; C754-P756 VanDerWaalsContact O-N 3.1Å | ||
| 755 | R | 24.3 | Very low | 43.3 | Very low | 225 Ų | 225 | 122.1 Ų | 122.1 | 85% | 0.849 | 63% | 0.628 | S | S | * | * | trans | -59.1 | 116 | 174.7 | -74.6 | -172.1 | 177.2 | -150.3 | 1.1 | 105.7 | T753 S757 | T753-R755 PolarHBondContact O-N 3.45Å; R755-S757 PolarHBondContact O-N 2.79Å; R755-S757 VanDerWaalsContact O-N 3.12Å | ||
| 756 | P | 35.5 | Very low | 46.6 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | -57.5 | 125.4 | 170.7 | -16.9 | 30.2 | 0 | 0 | 0 | 106.8 | C754 G758 | C754-P756 WeakPolarHBondContact O-CD 3.26Å; C754-P756 VanDerWaalsContact O-N 3.1Å; P756-G758 PolarHBondContact O-N 3.49Å | ||
| 757 | S | 36.4 | Very low | 49.9 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | trans | -42.8 | 126.2 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | R755 | R755-S757 PolarHBondContact O-N 2.79Å; R755-S757 VanDerWaalsContact O-N 3.12Å | ||
| 758 | G | 36.8 | Very low | 53.1 | Low | 62 Ų | 62 | 97.6 Ų | 97.6 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 144.9 | -162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P756 S760 | P756-G758 PolarHBondContact O-N 3.49Å; G758-S760 PolarHBondContact O-N 3.17Å |
| 759 | F | 41.9 | Very low | 56.4 | Low | 157 Ų | 157 | 87.9 Ų | 87.9 | 69% | 0.689 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -54 | 133.3 | 169.9 | -66.1 | -80 | 0 | 0 | 0 | 110.7 | K761 | F759-K761 PolarHBondContact O-N 3.19Š|
| 760 | S | 58.7 | Low | 59.4 | Low | 40 Ų | 40 | 81.8 Ų | 81.8 | 28% | 0.28 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.6 | 169.2 | 68.2 | 0 | 0 | 0 | 0 | 110 | R694 T695 G758 W762 | R694-S760 WeakPolarHBondContact CB-OG 3.29Å; T695-S760 PolarHBondContact N-OG 3.24Å; T695-S760 VanDerWaalsContact N-OG 3.1Å; G758-S760 PolarHBondContact O-N 3.17Å; S760-W762 PolarHBondContact O-N 3.3Å |
| 761 | K | 75.5 | Confident | 61.8 | Low | 184 Ų | 184 | 77.3 Ų | 77.3 | 80% | 0.8 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 135.8 | 172.9 | -172.8 | 175.8 | -177.3 | 174.8 | 0 | 110.5 | F759 R763 | F759-K761 PolarHBondContact O-N 3.19Å; K761-R763 PolarHBondContact O-N 3.48Å |
| 762 | W | 83.2 | Confident | 64.3 | Low | 75 Ų | 75 | 73.6 Ų | 73.6 | 28% | 0.284 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 126.6 | 173.2 | -73.7 | 107.8 | 0 | 0 | 0 | 110.4 | Q692 R694 S760 R906 R908 | Q692-W762 HydrophobicContact CB-CD2 4.29Å; Q692-W762 HydrophobicContact CB-CE3 3.55Å; Q692-W762 HydrophobicContact CB-CZ3 4.09Å; Q692-W762 WeakPolarHBondContact O-CZ3 3.42Å; R694-W762 HydrophobicContact CB-CE3 4.17Å; R694-W762 HydrophobicContact CB-CZ3 4.34Å; R694-W762 HydrophobicContact CG-CE3 4.13Å; R694-W762 HydrophobicContact CG-CH2 3.96Å; R694-W762 HydrophobicContact CG-CZ2 4.39Å; R694-W762 HydrophobicContact CG-CZ3 3.83Å; R694-W762 VanDerWaalsContact NE-CH2 3.3Å; S760-W762 PolarHBondContact O-N 3.3Å; W762-R906 HydrophobicContact CH2-CG 4.18Å; W762-R908 HydrophobicContact CH2-CB 4.5Å; W762-R908 HydrophobicContact CH2-CG 3.41Å; W762-R908 VanDerWaalsContact CH2-CG 3.41Å; W762-R908 HydrophobicContact CZ2-CG 4.05Å; W762-R908 HydrophobicContact CZ3-CB 4.38Å; W762-R908 HydrophobicContact CZ3-CG 3.72Å |
| 763 | R | 85 | Confident | 66.4 | Low | 159 Ų | 159 | 70.4 Ų | 70.4 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.1 | 175.3 | -63.9 | -168 | 179.6 | -139.1 | 1.5 | 109.8 | Q692 R693 K761 | Q692-R763 CarbonylContact C-O 3.53Å; Q692-R763 VanDerWaalsContact CA-O 3.28Å; Q692-R763 WeakPolarHBondContact CA-O 3.24Å; R693-R763 PolarHBondContact N-O 2.76Å; R693-R763 PolarHBondContact O-N 3.17Å; K761-R763 PolarHBondContact O-N 3.48Å |
| 764 | R | 89.2 | Confident | 68.4 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.3 | 169.8 | -79.4 | -173.4 | 174.1 | 122.9 | -9.8 | 109.2 | V690 V691 Q692 P785 N789 | V690-R764 HydrophobicContact CG1-CG 4.49Å; V691-R764 WeakPolarHBondContact O-CA 3.44Å; Q692-R764 HydrophobicContact CG-CG 4.08Å; R764-P785 VanDerWaalsContact O-CD 3.27Å; R764-P785 WeakPolarHBondContact O-CD 3.13Å; R764-P785 WeakPolarHBondContact O-CG 3.25Å; R764-N789 PolarHBondContact NH1-OD1 3.05Å |
| 765 | L | 91.3 | Very high | 70.3 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150 | 178.1 | -60 | 169.5 | 0 | 0 | 0 | 108 | V690 V691 R693 Y782 F783 E784 F796 | V690-L765 WeakPolarHBondContact CA-O 3.38Å; V691-L765 HydrophobicContact CG2-CB 4.31Å; V691-L765 PolarHBondContact N-O 3.44Å; V691-L765 PolarHBondContact O-N 3.4Å; V691-L765 VanDerWaalsContact O-O 3.13Å; R693-L765 HydrophobicContact CB-CD1 3.67Å; R693-L765 HydrophobicContact CG-CD1 4.45Å; L765-Y782 HydrophobicContact CD1-CD1 4.46Å; L765-Y782 HydrophobicContact CD1-CG 4.32Å; L765-F783 WeakPolarHBondContact CA-O 3.33Å; L765-E784 HydrophobicContact CD2-CG 4.34Å; L765-F796 VanDerWaalsContact C-CE1 3.48Å |
| 766 | W | 92.1 | Very high | 72.4 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118 | 161.5 | -175.3 | -86 | 0 | 0 | 0 | 107.7 | Q688 V690 T768 Y782 F783 R793 F796 | Q688-W766 HydrophobicContact CB-CZ2 4.32Å; Q688-W766 HydrophobicContact CG-CZ2 4.09Å; V690-W766 HydrophobicContact CG2-CE3 3.79Å; V690-W766 HydrophobicContact CG2-CZ3 3.99Å; W766-T768 PolarHBondContact NE1-OG1 3.1Å; W766-Y782 CarbonylContact O-C 3.59Å; W766-Y782 VanDerWaalsContact O-CA 3.29Å; W766-Y782 WeakPolarHBondContact O-CA 3.16Å; W766-F783 HydrophobicContact CB-CB 4.17Å; W766-F783 HydrophobicContact CB-CD2 4.25Å; W766-F783 AromaticContact CD1-CD2 3.78Å; W766-F783 HydrophobicContact CG-CD2 4.39Å; W766-F783 PolarHBondContact N-O 3.43Å; W766-F783 VanDerWaalsContact N-O 3.1Å; W766-F783 WeakPolarHBondContact O-CD2 3.43Å; W766-F783 PolarHBondContact O-N 2.95Å; W766-R793 HydrophobicContact CD2-CB 4.49Å; W766-R793 VanDerWaalsContact CE2-CD 3.45Å; W766-R793 HydrophobicContact CE3-CB 4.3Å; W766-R793 HydrophobicContact CH2-CB 3.91Å; W766-R793 HydrophobicContact CZ2-CB 4.09Å; W766-R793 HydrophobicContact CZ2-CG 4.38Å; W766-R793 HydrophobicContact CZ3-CB 4.02Å; W766-F796 HydrophobicContact CB-CB 4.17Å; W766-F796 HydrophobicContact CB-CD1 3.86Å; W766-F796 HydrophobicContact CB-CD2 3.83Å; W766-F796 HydrophobicContact CB-CE1 4.19Å; W766-F796 HydrophobicContact CB-CE2 4.15Å; W766-F796 HydrophobicContact CB-CG 3.68Å; W766-F796 HydrophobicContact CB-CZ 4.32Å; W766-F796 HydrophobicContact CE3-CD2 4.08Å; W766-F796 AromaticContact CE3-CE2 3.91Å; W766-F796 HydrophobicContact CE3-CE2 3.91Å; W766-F796 VanDerWaalsContact N-CE1 3.28Å |
| 767 | A | 92.2 | Very high | 74.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q688 G689 V691 M780 I781 Y782 W1018 | Q688-A767 CarbonylContact C-O 3.56Å; Q688-A767 WeakPolarHBondContact CA-O 3.5Å; Q688-A767 WeakPolarHBondContact CB-O 3.44Å; G689-A767 PolarHBondContact N-O 2.73Å; G689-A767 PolarHBondContact O-N 2.87Å; V691-A767 HydrophobicContact CB-CB 4.37Å; V691-A767 HydrophobicContact CG1-CB 3.91Å; V691-A767 HydrophobicContact CG2-CB 3.49Å; V691-A767 VanDerWaalsContact CG2-CB 3.49Å; A767-M780 HydrophobicContact CB-CE 4.45Å; A767-I781 CarbonylContact C-O 3.55Å; A767-I781 VanDerWaalsContact CA-O 3.26Å; A767-I781 WeakPolarHBondContact CA-O 3.13Å; A767-Y782 HydrophobicContact CB-CD1 3.97Å; A767-Y782 HydrophobicContact CB-CE1 4.28Å; A767-W1018 HydrophobicContact CB-CH2 3.48Å; A767-W1018 VanDerWaalsContact CB-CH2 3.48Å; A767-W1018 HydrophobicContact CB-CZ2 4.06Å; A767-W1018 HydrophobicContact CB-CZ3 4.25Å |
| 768 | T | 91.1 | Very high | 76.5 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 116.5 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | V685 Q688 W766 V770 I781 | V685-T768 HydrophobicContact CG1-CG2 3.74Å; V685-T768 HydrophobicContact CG2-CG2 4.19Å; Q688-T768 HydrophobicContact CB-CG2 4.18Å; W766-T768 PolarHBondContact NE1-OG1 3.1Å; T768-V770 HydrophobicContact CG2-CG1 3.74Å; T768-I781 PolarHBondContact N-O 3.45Å; T768-I781 PolarHBondContact O-N 2.82Å |
| 769 | L | 91.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.9 | 171.3 | 178.6 | 64.5 | 0 | 0 | 0 | 108.6 | V686 C687 L806 W1018 C1021 I1022 V1025 | V686-L769 HydrophobicContact CB-CB 4.45Å; V686-L769 HydrophobicContact CB-CD2 4Å; V686-L769 HydrophobicContact CB-CG 4.01Å; V686-L769 HydrophobicContact CG1-CD2 3.94Å; V686-L769 PolarHBondContact N-O 3.26Å; C687-L769 HydrophobicContact CB-CB 4.3Å; C687-L769 HydrophobicContact CB-CD2 4.49Å; C687-L769 PolarHBondContact N-O 2.97Å; C687-L769 PolarHBondContact O-N 2.81Å; L769-L806 HydrophobicContact CD1-CD1 3.27Å; L769-W1018 HydrophobicContact CB-CZ3 4.25Å; L769-C1021 HydrophobicContact CD2-CB 3.89Å; L769-I1022 HydrophobicContact CD2-CG1 4.1Å; L769-V1025 HydrophobicContact CD2-CG2 4.15Å |
| 770 | V | 87 | Confident | 81 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.3 | -179.3 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | V683 R684 V685 T768 V772 A778 Y779 I781 | V683-V770 HydrophobicContact CG1-CB 4.12Å; V683-V770 HydrophobicContact CG1-CG1 4.31Å; R684-V770 CarbonylContact O-C 3.55Å; R684-V770 VanDerWaalsContact O-CA 3.29Å; R684-V770 WeakPolarHBondContact O-CA 3.41Å; V685-V770 HydrophobicContact CG2-CG1 4.15Å; T768-V770 HydrophobicContact CG2-CG1 3.74Å; V770-V772 HydrophobicContact CG2-CG2 4.3Å; V770-A778 CarbonylContact O-C 3.53Å; V770-A778 VanDerWaalsContact O-CA 3.27Å; V770-A778 WeakPolarHBondContact O-CA 3.33Å; V770-A778 WeakPolarHBondContact O-CB 3.42Å; V770-Y779 HydrophobicContact CG2-CD2 4.43Å; V770-Y779 WeakPolarHBondContact CG2-O 3.48Å; V770-Y779 PolarHBondContact N-O 3.3Å; V770-Y779 PolarHBondContact O-N 3.36Å; V770-I781 HydrophobicContact CG1-CD1 4.34Å; V770-I781 HydrophobicContact CG2-CD1 3.84Å; V770-I781 HydrophobicContact CG2-CG1 4.33Å |
| 771 | M | 82.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.069 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141.3 | 162.7 | -73.9 | 177.8 | 63.1 | 0 | 0 | 108.9 | V683 R684 V686 A778 V1025 Q1028 | V683-M771 CarbonylContact C-O 3.57Å; V683-M771 WeakPolarHBondContact CA-O 3.28Å; R684-M771 HydrophobicContact CB-CB 4.46Å; R684-M771 PolarHBondContact N-O 3.29Å; R684-M771 PolarHBondContact O-N 3.23Å; V686-M771 HydrophobicContact CG2-CB 4.42Å; V686-M771 HydrophobicContact CG2-CG 3.82Å; V686-M771 HydrophobicContact CG2-SD 4.06Å; M771-A778 HydrophobicContact CG-CB 4.36Å; M771-V1025 HydrophobicContact CG-CB 4.42Å; M771-V1025 HydrophobicContact CG-CG1 3.69Å; M771-V1025 HydrophobicContact CG-CG2 3.94Å; M771-V1025 HydrophobicContact SD-CB 4.36Å; M771-V1025 HydrophobicContact SD-CG1 4.1Å; M771-V1025 HydrophobicContact SD-CG2 3.81Å; M771-Q1028 HydrophobicContact CE-CB 4.25Å |
| 772 | V | 77.6 | Confident | 83.1 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.1 | -176 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | F681 V683 V770 T777 Y779 | F681-V772 HydrophobicContact CD2-CG1 4.41Å; F681-V772 HydrophobicContact CE1-CG1 3.74Å; F681-V772 HydrophobicContact CE2-CG1 3.5Å; F681-V772 HydrophobicContact CZ-CG1 3.12Å; V683-V772 HydrophobicContact CG1-CG2 4.34Å; V683-V772 HydrophobicContact CG2-CG1 4.44Å; V683-V772 HydrophobicContact CG2-CG2 4.31Å; V770-V772 HydrophobicContact CG2-CG2 4.3Å; V772-T777 PolarHBondContact N-O 3.49Å; V772-T777 PolarHBondContact O-OG1 3.08Å; V772-Y779 HydrophobicContact CB-CD2 4.46Å; V772-Y779 HydrophobicContact CB-CE2 4.22Å; V772-Y779 HydrophobicContact CG2-CD2 3.72Å; V772-Y779 HydrophobicContact CG2-CE2 3.89Å |
| 773 | G | 71 | Confident | 83.4 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 34% | 0.34 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | -144.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G682 G775 | G682-G773 PolarHBondContact O-N 2.95Å; G773-G775 PolarHBondContact O-N 3.19Å; G773-G775 VanDerWaalsContact O-N 3.09Å |
| 774 | D | 67.1 | Low | 83.5 | Confident | 118 Ų | 118 | 25.9 Ų | 25.9 | 63% | 0.631 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 6.2 | 175.7 | 63 | -14.7 | 0 | 0 | 0 | 114.2 | L776 | D774-L776 VanDerWaalsContact OD1-CD1 3.31Å; D774-L776 WeakPolarHBondContact OD1-CD1 3.35Å; D774-L776 WeakPolarHBondContact OD1-CG 3.48Å; D774-L776 PolarHBondContact OD1-N 3.1Å; D774-L776 WeakPolarHBondContact OD2-CD1 3.49Å; D774-L776 WeakPolarHBondContact OD2-CG 3.48Å |
| 775 | G | 66.2 | Low | 83.3 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 20.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G773 I1029 | G773-G775 PolarHBondContact O-N 3.19Å; G773-G775 VanDerWaalsContact O-N 3.09Å; G775-I1029 WeakPolarHBondContact O-CA 3.37Å; G775-I1029 WeakPolarHBondContact O-CG1 3.43Å |
| 776 | L | 69.3 | Low | 82.7 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.9 | 170.4 | -66.3 | 170.4 | 0 | 0 | 0 | 113.9 | D774 F807 I1029 A1032 Q1036 | D774-L776 VanDerWaalsContact OD1-CD1 3.31Å; D774-L776 WeakPolarHBondContact OD1-CD1 3.35Å; D774-L776 WeakPolarHBondContact OD1-CG 3.48Å; D774-L776 PolarHBondContact OD1-N 3.1Å; D774-L776 WeakPolarHBondContact OD2-CD1 3.49Å; D774-L776 WeakPolarHBondContact OD2-CG 3.48Å; L776-F807 WeakPolarHBondContact O-CD1 3.24Å; L776-I1029 WeakPolarHBondContact O-CG2 3.5Å; L776-A1032 HydrophobicContact CD2-CB 3.74Å; L776-Q1036 VanDerWaalsContact CD1-NE2 3.3Å |
| 777 | T | 75.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.4 | -177.9 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | V772 | V772-T777 PolarHBondContact N-O 3.49Å; V772-T777 PolarHBondContact O-OG1 3.08Å |
| 778 | A | 82.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V770 M771 L806 V1025 I1029 | V770-A778 CarbonylContact O-C 3.53Å; V770-A778 VanDerWaalsContact O-CA 3.27Å; V770-A778 WeakPolarHBondContact O-CA 3.33Å; V770-A778 WeakPolarHBondContact O-CB 3.42Å; M771-A778 HydrophobicContact CG-CB 4.36Å; A778-L806 HydrophobicContact CB-CB 4.34Å; A778-L806 HydrophobicContact CB-CD1 4.35Å; A778-L806 PolarHBondContact O-N 2.95Å; A778-V1025 HydrophobicContact CB-CG1 3.29Å; A778-I1029 HydrophobicContact CB-CD1 3.68Å |
| 779 | Y | 84.6 | Confident | 80.9 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.6 | -177.7 | -57.4 | -87.6 | 0 | 0 | 0 | 111 | V770 V772 I803 H804 C805 | V770-Y779 HydrophobicContact CG2-CD2 4.43Å; V770-Y779 WeakPolarHBondContact CG2-O 3.48Å; V770-Y779 PolarHBondContact N-O 3.3Å; V770-Y779 PolarHBondContact O-N 3.36Å; V772-Y779 HydrophobicContact CB-CD2 4.46Å; V772-Y779 HydrophobicContact CB-CE2 4.22Å; V772-Y779 HydrophobicContact CG2-CD2 3.72Å; V772-Y779 HydrophobicContact CG2-CE2 3.89Å; Y779-I803 HydrophobicContact CD1-CG2 3.59Å; Y779-I803 HydrophobicContact CE1-CG2 4.49Å; Y779-I803 HydrophobicContact CG-CG2 4.06Å; Y779-H804 CarbonylContact C-O 3.51Å; Y779-H804 WeakPolarHBondContact CA-O 3.34Å; Y779-C805 HydrophobicContact CD1-CB 4.09Å; Y779-C805 HydrophobicContact CE1-CB 4.01Å |
| 780 | M | 88 | Confident | 80.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.8 | 166.4 | -166.6 | 170.7 | 169.6 | 0 | 0 | 108.4 | A767 Y782 H804 L806 F894 L896 F907 W1018 | A767-M780 HydrophobicContact CB-CE 4.45Å; M780-Y782 HydrophobicContact CE-CE1 3.47Å; M780-Y782 VanDerWaalsContact CE-CE1 3.47Å; M780-Y782 HydrophobicContact CG-CE1 3.57Å; M780-Y782 WeakPolarHBondContact CG-OH 3.26Å; M780-Y782 HydrophobicContact SD-CE1 3.91Å; M780-Y782 PolarHBondContact SD-OH 3.38Å; M780-H804 HydrophobicContact CB-CB 4.42Å; M780-H804 PolarHBondContact N-O 3.3Å; M780-H804 PolarHBondContact O-N 2.9Å; M780-L806 HydrophobicContact CB-CD2 4.44Å; M780-L806 HydrophobicContact CB-CG 4.48Å; M780-F894 HydrophobicContact CE-CE2 4.4Å; M780-F894 HydrophobicContact CE-CZ 4.14Å; M780-L896 HydrophobicContact SD-CD2 3.62Å; M780-F907 HydrophobicContact CE-CD1 4.02Å; M780-F907 HydrophobicContact CE-CD2 4.2Å; M780-F907 HydrophobicContact CE-CE1 3.84Å; M780-F907 HydrophobicContact CE-CE2 4.02Å; M780-F907 HydrophobicContact CE-CG 4.21Å; M780-F907 HydrophobicContact CE-CZ 3.86Å; M780-W1018 HydrophobicContact CE-CE3 4.2Å; M780-W1018 HydrophobicContact CE-CZ3 3.77Å; M780-W1018 HydrophobicContact SD-CZ3 4.49Å |
| 781 | I | 89.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.9 | -174.9 | -53.4 | 174.2 | 0 | 0 | 0 | 109 | A767 T768 V770 F783 C801 Q802 I803 | A767-I781 CarbonylContact C-O 3.55Å; A767-I781 VanDerWaalsContact CA-O 3.26Å; A767-I781 WeakPolarHBondContact CA-O 3.13Å; T768-I781 PolarHBondContact N-O 3.45Å; T768-I781 PolarHBondContact O-N 2.82Å; V770-I781 HydrophobicContact CG1-CD1 4.34Å; V770-I781 HydrophobicContact CG2-CD1 3.84Å; V770-I781 HydrophobicContact CG2-CG1 4.33Å; I781-F783 HydrophobicContact CB-CE2 4.43Å; I781-F783 HydrophobicContact CG2-CD2 4.42Å; I781-F783 HydrophobicContact CG2-CE1 4.34Å; I781-F783 HydrophobicContact CG2-CE2 3.71Å; I781-F783 HydrophobicContact CG2-CZ 3.66Å; I781-C801 HydrophobicContact CG2-CB 4.11Å; I781-Q802 CarbonylContact C-O 3.55Å; I781-Q802 WeakPolarHBondContact CA-O 3.08Å; I781-I803 HydrophobicContact CG1-CG1 4.27Å; I781-I803 HydrophobicContact CG1-CG2 4.33Å; I781-I803 HydrophobicContact CG2-CG1 4.31Å |
| 782 | Y | 88.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.9 | -179.8 | -44.7 | -72.8 | 0 | 0 | 0 | 111 | L765 W766 A767 M780 C801 Q802 H804 F907 | L765-Y782 HydrophobicContact CD1-CD1 4.46Å; L765-Y782 HydrophobicContact CD1-CG 4.32Å; W766-Y782 CarbonylContact O-C 3.59Å; W766-Y782 VanDerWaalsContact O-CA 3.29Å; W766-Y782 WeakPolarHBondContact O-CA 3.16Å; A767-Y782 HydrophobicContact CB-CD1 3.97Å; A767-Y782 HydrophobicContact CB-CE1 4.28Å; M780-Y782 HydrophobicContact CE-CE1 3.47Å; M780-Y782 VanDerWaalsContact CE-CE1 3.47Å; M780-Y782 HydrophobicContact CG-CE1 3.57Å; M780-Y782 WeakPolarHBondContact CG-OH 3.26Å; M780-Y782 HydrophobicContact SD-CE1 3.91Å; M780-Y782 PolarHBondContact SD-OH 3.38Å; Y782-C801 CarbonylContact O-C 3.56Å; Y782-C801 WeakPolarHBondContact O-CA 3.49Å; Y782-C801 WeakPolarHBondContact O-CB 3.27Å; Y782-Q802 HydrophobicContact CD2-CB 3.96Å; Y782-Q802 VanDerWaalsContact CD2-O 3.29Å; Y782-Q802 WeakPolarHBondContact CD2-O 3.34Å; Y782-Q802 PolarHBondContact N-O 3.36Å; Y782-Q802 PolarHBondContact O-N 2.9Å; Y782-H804 HydrophobicContact CE2-CB 3.88Å; Y782-F907 HydrophobicContact CD1-CE1 4.02Å; Y782-F907 HydrophobicContact CD1-CZ 4.48Å; Y782-F907 HydrophobicContact CE1-CD1 4.41Å; Y782-F907 AromaticContact CE1-CE1 3.31Å; Y782-F907 HydrophobicContact CE1-CE1 3.31Å; Y782-F907 AromaticContact CE1-CZ 3.47Å; Y782-F907 HydrophobicContact CE1-CZ 3.47Å; Y782-F907 VanDerWaalsContact CE1-CZ 3.47Å; Y782-F907 HydrophobicContact CE2-CZ 4.47Å; Y782-F907 AromaticContact CZ-CE1 3.85Å; Y782-F907 AromaticContact CZ-CZ 3.47Å; Y782-F907 VanDerWaalsContact CZ-CZ 3.47Å; Y782-F907 WeakPolarHBondContact OH-CZ 3.43Å |
| 783 | F | 89.3 | Confident | 80.1 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.5 | 176 | -55.9 | -93.5 | 0 | 0 | 0 | 111.5 | L765 W766 I781 F796 Q797 C801 | L765-F783 WeakPolarHBondContact CA-O 3.33Å; W766-F783 HydrophobicContact CB-CB 4.17Å; W766-F783 HydrophobicContact CB-CD2 4.25Å; W766-F783 AromaticContact CD1-CD2 3.78Å; W766-F783 HydrophobicContact CG-CD2 4.39Å; W766-F783 PolarHBondContact N-O 3.43Å; W766-F783 VanDerWaalsContact N-O 3.1Å; W766-F783 WeakPolarHBondContact O-CD2 3.43Å; W766-F783 PolarHBondContact O-N 2.95Å; I781-F783 HydrophobicContact CB-CE2 4.43Å; I781-F783 HydrophobicContact CG2-CD2 4.42Å; I781-F783 HydrophobicContact CG2-CE1 4.34Å; I781-F783 HydrophobicContact CG2-CE2 3.71Å; I781-F783 HydrophobicContact CG2-CZ 3.66Å; F783-F796 HydrophobicContact CB-CB 4.07Å; F783-F796 WeakPolarHBondContact O-CD1 3.42Å; F783-Q797 WeakPolarHBondContact CD1-O 3.42Å; F783-C801 HydrophobicContact CD1-CB 3.6Å; F783-C801 HydrophobicContact CE1-CB 3.81Å; F783-C801 HydrophobicContact CG-CB 4.16Å |
| 784 | E | 86.4 | Confident | 80.5 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 146.5 | -179.8 | -63.7 | -153.7 | 176.1 | 0 | 0 | 112.7 | L765 F796 Q797 Q800 | L765-E784 HydrophobicContact CD2-CG 4.34Å; E784-F796 CarbonylContact O-C 3.54Å; E784-F796 VanDerWaalsContact O-CA 3.26Å; E784-F796 WeakPolarHBondContact O-CA 3.5Å; E784-Q797 PolarHBondContact O-N 2.86Å; E784-Q800 HydrophobicContact CB-CB 4Å; E784-Q800 HydrophobicContact CG-CB 4.06Å; E784-Q800 PolarHBondContact N-O 2.85Å; E784-Q800 PolarHBondContact OE2-OE1 3.36Å |
| 785 | P | 86.6 | Confident | 81.2 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 142 | 179.9 | 30.4 | -33.5 | 0 | 0 | 0 | 112.2 | R764 A790 F796 Q797 | R764-P785 VanDerWaalsContact O-CD 3.27Å; R764-P785 WeakPolarHBondContact O-CD 3.13Å; R764-P785 WeakPolarHBondContact O-CG 3.25Å; P785-A790 HydrophobicContact CB-CB 3.77Å; P785-F796 HydrophobicContact CB-CD1 3.94Å; P785-F796 HydrophobicContact CB-CE1 3.89Å; P785-Q797 PolarHBondContact O-NE2 3.46Å |
| 786 | K | 77.7 | Confident | 82 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -77.5 | -31.7 | 169.2 | -69.3 | 178.6 | -179.2 | -177.5 | 0 | 112.3 | Q795 F796 Q797 | K786-Q795 WeakPolarHBondContact CB-O 3.47Å; K786-Q795 PolarHBondContact N-O 3.02Å; K786-F796 WeakPolarHBondContact CE-O 3.49Å; K786-Q797 HydrophobicContact CB-CG 4.39Å; K786-Q797 HydrophobicContact CD-CG 4.38Å; K786-Q797 HydrophobicContact CG-CB 4.42Å; K786-Q797 HydrophobicContact CG-CG 3.35Å |
| 787 | V | 79.4 | Confident | 82.4 | Confident | 71 Ų | 71 | 60 Ų | 60 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -129.6 | 153.7 | -173.1 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | N789 A790 Q795 | V787-N789 PolarHBondContact O-N 3.17Å; V787-A790 HydrophobicContact CG2-CB 4.16Å; V787-A790 PolarHBondContact O-N 2.96Å; V787-Q795 HydrophobicContact CG2-CB 3.87Å; V787-Q795 HydrophobicContact CG2-CG 4.01Å |
| 788 | K | 78.6 | Confident | 82.3 | Confident | 199 Ų | 199 | 61.2 Ų | 61.2 | 87% | 0.865 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 136.9 | 169.6 | -67.6 | 179.9 | -178.2 | 173.4 | 0 | 108.4 | ||
| 789 | N | 80 | Confident | 81.8 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 35.1 | 179.6 | -52 | -33.2 | 0 | 0 | 0 | 116 | R764 V787 V791 | R764-N789 PolarHBondContact NH1-OD1 3.05Å; V787-N789 PolarHBondContact O-N 3.17Å; N789-V791 WeakPolarHBondContact O-CG2 2.97Å; N789-V791 PolarHBondContact O-N 3.45Å |
| 790 | A | 82.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | trans | -55.1 | 129.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P785 V787 Q795 F796 | P785-A790 HydrophobicContact CB-CB 3.77Å; V787-A790 HydrophobicContact CG2-CB 4.16Å; V787-A790 PolarHBondContact O-N 2.96Å; A790-Q795 VanDerWaalsContact CA-OE1 3.29Å; A790-Q795 HydrophobicContact CB-CB 3.65Å; A790-F796 HydrophobicContact CB-CD1 4.42Å; A790-F796 HydrophobicContact CB-CD2 4.24Å; A790-F796 HydrophobicContact CB-CE1 3.88Å; A790-F796 HydrophobicContact CB-CE2 3.68Å; A790-F796 HydrophobicContact CB-CZ 3.48Å; A790-F796 VanDerWaalsContact CB-CZ 3.48Å | ||
| 791 | V | 81.4 | Confident | 80.8 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | trans | -120.8 | -37 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | V690 N789 P913 | V690-V791 VanDerWaalsContact CG2-O 3.28Å; V690-V791 WeakPolarHBondContact CG2-O 3.33Å; N789-V791 WeakPolarHBondContact O-CG2 2.97Å; N789-V791 PolarHBondContact O-N 3.45Å; V791-P913 HydrophobicContact CG1-CG 4.22Å | ||
| 792 | Y | 81.7 | Confident | 80.3 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -95.6 | 150 | -176.3 | -58.9 | -72.4 | 0 | 0 | 0 | 112.2 | N794 Q795 F796 | Y792-N794 WeakPolarHBondContact CB-OD1 3.37Å; Y792-N794 PolarHBondContact O-N 3.22Å; Y792-N794 VanDerWaalsContact O-N 3.14Å; Y792-Q795 VanDerWaalsContact N-OE1 3.14Å; Y792-Q795 VanDerWaalsContact O-CB 3.31Å; Y792-Q795 WeakPolarHBondContact O-CB 3.46Å; Y792-Q795 PolarHBondContact O-N 3.49Å; Y792-F796 VanDerWaalsContact O-CD2 3.23Å; Y792-F796 WeakPolarHBondContact O-CD2 3.41Å; Y792-F796 WeakPolarHBondContact O-CE2 3.12Å |
| 793 | R | 76.6 | Confident | 80 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -54.4 | -35.2 | -176.8 | 175.5 | 60.3 | -176.5 | 80.2 | -1.1 | 114.3 | W766 Q795 F796 | W766-R793 HydrophobicContact CD2-CB 4.49Å; W766-R793 VanDerWaalsContact CE2-CD 3.45Å; W766-R793 HydrophobicContact CE3-CB 4.3Å; W766-R793 HydrophobicContact CH2-CB 3.91Å; W766-R793 HydrophobicContact CZ2-CB 4.09Å; W766-R793 HydrophobicContact CZ2-CG 4.38Å; W766-R793 HydrophobicContact CZ3-CB 4.02Å; R793-Q795 VanDerWaalsContact C-N 3.26Å; R793-Q795 PolarHBondContact O-N 3.41Å; R793-F796 PolarHBondContact O-N 3.15Å |
| 794 | N | 77.9 | Confident | 79.3 | Confident | 118 Ų | 118 | 74.3 Ų | 74.3 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -71.8 | -17.6 | 179.8 | 62.2 | -17.3 | 0 | 0 | 0 | 113.6 | Y792 F796 | Y792-N794 WeakPolarHBondContact CB-OD1 3.37Å; Y792-N794 PolarHBondContact O-N 3.22Å; Y792-N794 VanDerWaalsContact O-N 3.14Å; N794-F796 PolarHBondContact O-N 3.42Å |
| 795 | Q | 82.6 | Confident | 78.9 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -83.1 | 5.6 | 175.9 | -65.3 | 174.4 | -22.8 | 0 | 0 | 112.8 | K786 V787 A790 Y792 R793 | K786-Q795 WeakPolarHBondContact CB-O 3.47Å; K786-Q795 PolarHBondContact N-O 3.02Å; V787-Q795 HydrophobicContact CG2-CB 3.87Å; V787-Q795 HydrophobicContact CG2-CG 4.01Å; A790-Q795 VanDerWaalsContact CA-OE1 3.29Å; A790-Q795 HydrophobicContact CB-CB 3.65Å; Y792-Q795 VanDerWaalsContact N-OE1 3.14Å; Y792-Q795 VanDerWaalsContact O-CB 3.31Å; Y792-Q795 WeakPolarHBondContact O-CB 3.46Å; Y792-Q795 PolarHBondContact O-N 3.49Å; R793-Q795 VanDerWaalsContact C-N 3.26Å; R793-Q795 PolarHBondContact O-N 3.41Å |
| 796 | F | 82.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.1 | 174.6 | -62 | -92.8 | 0 | 0 | 0 | 111 | V690 L765 W766 F783 E784 P785 K786 A790 Y792 R793 N794 | V690-F796 HydrophobicContact CG1-CZ 4.18Å; V690-F796 HydrophobicContact CG2-CE2 4Å; V690-F796 HydrophobicContact CG2-CZ 3.96Å; L765-F796 VanDerWaalsContact C-CE1 3.48Å; W766-F796 HydrophobicContact CB-CB 4.17Å; W766-F796 HydrophobicContact CB-CD1 3.86Å; W766-F796 HydrophobicContact CB-CD2 3.83Å; W766-F796 HydrophobicContact CB-CE1 4.19Å; W766-F796 HydrophobicContact CB-CE2 4.15Å; W766-F796 HydrophobicContact CB-CG 3.68Å; W766-F796 HydrophobicContact CB-CZ 4.32Å; W766-F796 HydrophobicContact CE3-CD2 4.08Å; W766-F796 AromaticContact CE3-CE2 3.91Å; W766-F796 HydrophobicContact CE3-CE2 3.91Å; W766-F796 VanDerWaalsContact N-CE1 3.28Å; F783-F796 HydrophobicContact CB-CB 4.07Å; F783-F796 WeakPolarHBondContact O-CD1 3.42Å; E784-F796 CarbonylContact O-C 3.54Å; E784-F796 VanDerWaalsContact O-CA 3.26Å; E784-F796 WeakPolarHBondContact O-CA 3.5Å; P785-F796 HydrophobicContact CB-CD1 3.94Å; P785-F796 HydrophobicContact CB-CE1 3.89Å; K786-F796 WeakPolarHBondContact CE-O 3.49Å; A790-F796 HydrophobicContact CB-CD1 4.42Å; A790-F796 HydrophobicContact CB-CD2 4.24Å; A790-F796 HydrophobicContact CB-CE1 3.88Å; A790-F796 HydrophobicContact CB-CE2 3.68Å; A790-F796 HydrophobicContact CB-CZ 3.48Å; A790-F796 VanDerWaalsContact CB-CZ 3.48Å; Y792-F796 VanDerWaalsContact O-CD2 3.23Å; Y792-F796 WeakPolarHBondContact O-CD2 3.41Å; Y792-F796 WeakPolarHBondContact O-CE2 3.12Å; R793-F796 PolarHBondContact O-N 3.15Å; N794-F796 PolarHBondContact O-N 3.42Å |
| 797 | Q | 78.6 | Confident | 77.6 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120.8 | -179 | -62.4 | -175.3 | 36.8 | 0 | 0 | 109.8 | F783 E784 P785 K786 H799 Q800 | F783-Q797 WeakPolarHBondContact CD1-O 3.42Å; E784-Q797 PolarHBondContact O-N 2.86Å; P785-Q797 PolarHBondContact O-NE2 3.46Å; K786-Q797 HydrophobicContact CB-CG 4.39Å; K786-Q797 HydrophobicContact CD-CG 4.38Å; K786-Q797 HydrophobicContact CG-CB 4.42Å; K786-Q797 HydrophobicContact CG-CG 3.35Å; Q797-H799 VanDerWaalsContact C-N 3.32Å; Q797-H799 PolarHBondContact OE1-CE1 3.32Å; Q797-H799 VanDerWaalsContact OE1-CE1 3.28Å; Q797-H799 PolarHBondContact OE1-NE2 3.02Å; Q797-Q800 HydrophobicContact CB-CB 4.14Å |
| 798 | A | 73.3 | Confident | 76.3 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 49% | 0.488 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -32.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 799 | H | 71.1 | Confident | 74.7 | Confident | 149 Ų | 149 | 58.3 Ų | 58.3 | 69% | 0.69 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -21.2 | -174.7 | 64.5 | -87.5 | 0 | 0 | 0 | 113.7 | Q797 | Q797-H799 VanDerWaalsContact C-N 3.32Å; Q797-H799 PolarHBondContact OE1-CE1 3.32Å; Q797-H799 VanDerWaalsContact OE1-CE1 3.28Å; Q797-H799 PolarHBondContact OE1-NE2 3.02Å |
| 800 | Q | 74.6 | Confident | 72.8 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 89 | 174.1 | -68.1 | -174 | -6.7 | 0 | 0 | 109.8 | E784 Q797 | E784-Q800 HydrophobicContact CB-CB 4Å; E784-Q800 HydrophobicContact CG-CB 4.06Å; E784-Q800 PolarHBondContact N-O 2.85Å; E784-Q800 PolarHBondContact OE2-OE1 3.36Å; Q797-Q800 HydrophobicContact CB-CB 4.14Å |
| 801 | C | 78.7 | Confident | 70.3 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 14% | 0.142 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.1 | 172.3 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | M1 I781 Y782 F783 | M1-C801 WeakPolarHBondContact CE-SG 3.4Å; I781-C801 HydrophobicContact CG2-CB 4.11Å; Y782-C801 CarbonylContact O-C 3.56Å; Y782-C801 WeakPolarHBondContact O-CA 3.49Å; Y782-C801 WeakPolarHBondContact O-CB 3.27Å; F783-C801 HydrophobicContact CD1-CB 3.6Å; F783-C801 HydrophobicContact CE1-CB 3.81Å; F783-C801 HydrophobicContact CG-CB 4.16Å |
| 802 | Q | 78.5 | Confident | 67.9 | Low | 78 Ų | 78 | 61.7 Ų | 61.7 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133 | 175.3 | -64 | -178.9 | 4.5 | 0 | 0 | 107.8 | I781 Y782 | I781-Q802 CarbonylContact C-O 3.55Å; I781-Q802 WeakPolarHBondContact CA-O 3.08Å; Y782-Q802 HydrophobicContact CD2-CB 3.96Å; Y782-Q802 VanDerWaalsContact CD2-O 3.29Å; Y782-Q802 WeakPolarHBondContact CD2-O 3.34Å; Y782-Q802 PolarHBondContact N-O 3.36Å; Y782-Q802 PolarHBondContact O-N 2.9Å |
| 803 | I | 80.8 | Confident | 65.3 | Low | 77 Ų | 77 | 61.6 Ų | 61.6 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.6 | -178.6 | -54.6 | -174.3 | 0 | 0 | 0 | 107.9 | M1 Y779 I781 | M1-I803 HydrophobicContact CB-CD1 4.26Å; M1-I803 HydrophobicContact CE-CD1 4.19Å; M1-I803 HydrophobicContact CE-CG1 4.38Å; M1-I803 HydrophobicContact CG-CD1 3.42Å; M1-I803 VanDerWaalsContact CG-CD1 3.42Å; M1-I803 HydrophobicContact CG-CG1 4.03Å; Y779-I803 HydrophobicContact CD1-CG2 3.59Å; Y779-I803 HydrophobicContact CE1-CG2 4.49Å; Y779-I803 HydrophobicContact CG-CG2 4.06Å; I781-I803 HydrophobicContact CG1-CG1 4.27Å; I781-I803 HydrophobicContact CG1-CG2 4.33Å; I781-I803 HydrophobicContact CG2-CG1 4.31Å |
| 804 | H | 76.6 | Confident | 62.9 | Low | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.032 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.5 | 175.1 | -172.5 | 178.7 | 0 | 0 | 0 | 107.9 | Y779 M780 Y782 L806 L896 D898 Y905 | Y779-H804 CarbonylContact C-O 3.51Å; Y779-H804 WeakPolarHBondContact CA-O 3.34Å; M780-H804 HydrophobicContact CB-CB 4.42Å; M780-H804 PolarHBondContact N-O 3.3Å; M780-H804 PolarHBondContact O-N 2.9Å; Y782-H804 HydrophobicContact CE2-CB 3.88Å; H804-L806 PolarHBondContact O-N 3.4Å; H804-L896 VanDerWaalsContact CE1-CD2 3.49Å; H804-L896 WeakPolarHBondContact CE1-CD2 3.4Å; H804-L896 WeakPolarHBondContact ND1-CD2 3.4Å; H804-D898 IonicContact CD2-OD2 2.96Å; H804-D898 PolarHBondContact CD2-OD2 3.07Å; H804-D898 WeakPolarHBondContact NE2-CB 3.41Å; H804-D898 IonicContact NE2-OD2 2.61Å; H804-D898 PolarHBondContact NE2-OD2 3.36Å; H804-D898 VanDerWaalsContact NE2-OD2 3.07Å; H804-Y905 AromaticContact CE1-CD2 3.94Å |
| 805 | C | 77.2 | Confident | 60.4 | Low | 31 Ų | 31 | 61.9 Ų | 61.9 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | Y779 F807 | Y779-C805 HydrophobicContact CD1-CB 4.09Å; Y779-C805 HydrophobicContact CE1-CB 4.01Å; C805-F807 PolarHBondContact SG-O 2.9Å |
| 806 | L | 71 | Confident | 57.6 | Low | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -26.2 | 176.1 | -65.6 | 178.4 | 0 | 0 | 0 | 111.8 | L769 A778 M780 H804 A877 L896 | L769-L806 HydrophobicContact CD1-CD1 3.27Å; A778-L806 HydrophobicContact CB-CB 4.34Å; A778-L806 HydrophobicContact CB-CD1 4.35Å; A778-L806 PolarHBondContact O-N 2.95Å; M780-L806 HydrophobicContact CB-CD2 4.44Å; M780-L806 HydrophobicContact CB-CG 4.48Å; H804-L806 PolarHBondContact O-N 3.4Å; L806-A877 HydrophobicContact CB-CB 4.49Å; L806-A877 HydrophobicContact CD2-CB 3.9Å; L806-A877 PolarHBondContact O-N 3.04Å; L806-L896 HydrophobicContact CD2-CD1 3.84Å; L806-L896 HydrophobicContact CD2-CD2 3.73Å; L806-L896 HydrophobicContact CD2-CG 4.32Å |
| 807 | F | 64.9 | Low | 54.8 | Low | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.035 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 126.2 | -178.9 | -168.7 | -86.1 | 0 | 0 | 0 | 109.9 | L776 C805 P809 F874 A876 I1029 | L776-F807 WeakPolarHBondContact O-CD1 3.24Å; C805-F807 PolarHBondContact SG-O 2.9Å; F807-P809 HydrophobicContact CD1-CG 4.37Å; F807-P809 HydrophobicContact CE1-CG 4.11Å; F807-F874 HydrophobicContact CE1-CD1 4Å; F807-F874 HydrophobicContact CE1-CE1 4.46Å; F807-F874 HydrophobicContact CE2-CB 3.64Å; F807-F874 AromaticContact CE2-CD1 3.85Å; F807-F874 HydrophobicContact CE2-CD1 3.85Å; F807-F874 AromaticContact CE2-CG 3.88Å; F807-F874 HydrophobicContact CE2-CG 3.88Å; F807-F874 HydrophobicContact CZ-CB 3.91Å; F807-F874 AromaticContact CZ-CD1 3.17Å; F807-F874 HydrophobicContact CZ-CD1 3.17Å; F807-F874 AromaticContact CZ-CE1 3.79Å; F807-F874 HydrophobicContact CZ-CE1 3.79Å; F807-F874 AromaticContact CZ-CG 3.68Å; F807-F874 HydrophobicContact CZ-CG 3.68Å; F807-A876 HydrophobicContact CD2-CB 3.74Å; F807-A876 HydrophobicContact CE2-CB 4.2Å; F807-I1029 HydrophobicContact CB-CD1 3.92Å; F807-I1029 HydrophobicContact CB-CG2 4.26Å; F807-I1029 HydrophobicContact CD1-CG2 3.31Å; F807-I1029 HydrophobicContact CD2-CG2 3.84Å; F807-I1029 HydrophobicContact CE1-CG2 3.3Å; F807-I1029 HydrophobicContact CE2-CG2 3.84Å; F807-I1029 HydrophobicContact CG-CD1 4.39Å; F807-I1029 HydrophobicContact CG-CG2 3.55Å; F807-I1029 HydrophobicContact CZ-CG2 3.54Å |
| 808 | S | 52.3 | Low | 52.1 | Low | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | trans | -120.8 | 119.4 | 168.1 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 809 | P | 46.5 | Very low | 49.8 | Very low | 41 Ų | 41 | 80.9 Ų | 80.9 | 27% | 0.266 | 46% | 0.458 | S | S | . | . | trans | -54.5 | 136.8 | 167.7 | -17.8 | 28.2 | 0 | 0 | 0 | 108.6 | F807 A811 | F807-P809 HydrophobicContact CD1-CG 4.37Å; F807-P809 HydrophobicContact CE1-CG 4.11Å; P809-A811 PolarHBondContact O-N 3.17Å | ||
| 810 | P | 39.9 | Very low | 47.5 | Very low | 55 Ų | 55 | 83.5 Ų | 83.5 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | trans | -55.6 | 134.7 | 161.6 | -13.3 | 26.1 | 0 | 0 | 0 | 106.7 | L812 L873 | P810-L812 PolarHBondContact O-N 3.35Å; P810-L873 VanDerWaalsContact CG-O 3.24Å; P810-L873 WeakPolarHBondContact CG-O 3.39Å | ||
| 811 | A | 30.2 | Very low | 45.1 | Very low | 72 Ų | 72 | 82.8 Ų | 82.8 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | trans | -50.7 | 107.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P809 N813 A814 | P809-A811 PolarHBondContact O-N 3.17Å; A811-N813 PolarHBondContact O-N 2.69Å; A811-A814 PolarHBondContact O-N 3.21Å | ||
| 812 | L | 29.9 | Very low | 42.5 | Very low | 108 Ų | 108 | 89 Ų | 89 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -57.1 | -12.7 | 176.1 | -97.1 | 152.3 | 0 | 0 | 0 | 112 | P810 A814 F815 | P810-L812 PolarHBondContact O-N 3.35Å; L812-A814 VanDerWaalsContact C-N 3.27Å; L812-A814 PolarHBondContact O-N 3.2Å; L812-F815 PolarHBondContact O-N 3.35Å |
| 813 | N | 28.4 | Very low | 39.9 | Very low | 140 Ų | 140 | 92.5 Ų | 92.5 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -68.6 | -17.5 | 170 | -70.5 | -6.2 | 0 | 0 | 0 | 114.4 | A811 | A811-N813 PolarHBondContact O-N 2.69Š|
| 814 | A | 25.1 | Very low | 37.1 | Very low | 76 Ų | 76 | 98.6 Ų | 98.6 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -82.4 | -21.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A811 L812 | A811-A814 PolarHBondContact O-N 3.21Å; L812-A814 VanDerWaalsContact C-N 3.27Å; L812-A814 PolarHBondContact O-N 3.2Å |
| 815 | F | 25.1 | Very low | 34.5 | Very low | 144 Ų | 144 | 107.8 Ų | 107.8 | 63% | 0.632 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -12.8 | 179.4 | -85.3 | -80.9 | 0 | 0 | 0 | 113.9 | L812 L873 | L812-F815 PolarHBondContact O-N 3.35Å; F815-L873 HydrophobicContact CZ-CD2 4.42Å |
| 816 | N | 24.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 7.2 | 177.7 | -98.1 | -10.6 | 0 | 0 | 0 | 114.8 | ||
| 817 | C | 22.6 | Very low | 29.6 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -118.7 | 80.7 | 178.3 | -76.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 818 | Q | 23.1 | Very low | 27.5 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | 158.3 | 74.4 | 145.5 | -85.7 | 167.6 | 40 | 0 | 0 | 111.2 | ||||
| 819 | S | 24 | Very low | 26 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -121.6 | 75.4 | 144.7 | 59.3 | 0 | 0 | 0 | 0 | 107.6 | G821 | S819-G821 PolarHBondContact O-N 3.27Š| ||
| 820 | K | 23.7 | Very low | 24.9 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -58.9 | 124.5 | 163.9 | -85.2 | -175.7 | 173.5 | -179.4 | 0 | 107.1 | ||||
| 821 | G | 24.4 | Very low | 24.1 | Very low | 63 Ų | 63 | 142.4 Ų | 142.4 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -52.6 | 146.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S819 | S819-G821 PolarHBondContact O-N 3.27Š| ||
| 822 | N | 24 | Very low | 23.9 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | -173.4 | 153.3 | 116.7 | -87.9 | -18.3 | 0 | 0 | 0 | 107.9 | |||||
| 823 | D | 23 | Very low | 23.6 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 88.3 | 51.7 | 167.7 | -49.4 | -26.5 | 0 | 0 | 0 | 118.1 | ||||
| 824 | F | 22.7 | Very low | 23.4 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 65.6 | 151.8 | -91.3 | -85.7 | 0 | 0 | 0 | 110.7 | ||||
| 825 | K | 22.6 | Very low | 23.5 | Very low | 200 Ų | 200 | 147 Ų | 147 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -143 | 66.5 | 160.7 | -80.1 | -166.7 | 179 | 179.5 | 0 | 109.6 | ||
| 826 | K | 22 | Very low | 23.4 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | 168.1 | 88.9 | 155.3 | -100.2 | 171.2 | 178.3 | -177.1 | 0 | 109.2 | ||||
| 827 | L | 22.5 | Very low | 23.5 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | trans | -167.4 | 104.8 | 133 | -129.7 | 77.3 | 0 | 0 | 0 | 106.9 | ||||
| 828 | Q | 20.4 | Very low | 23.5 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -101.8 | 125.6 | 178.7 | -177.9 | 166.3 | 1.9 | 0 | 0 | 106.2 | ||||
| 829 | N | 20.7 | Very low | 23.7 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 51.5 | 123.5 | 164.2 | -64.8 | -11.6 | 0 | 0 | 0 | 118.8 | ||||
| 830 | P | 24.4 | Very low | 23.9 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -132.9 | 122.7 | 98.2 | 27.6 | -11.4 | 0 | 0 | 0 | 111.2 | |||||
| 831 | T | 21.9 | Very low | 24.1 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | 27.3 | 96.1 | 93.3 | 38.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 832 | D | 25.7 | Very low | 24.3 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 175.5 | 137.4 | 95.4 | -94.4 | -16 | 0 | 0 | 0 | 111.8 | |||||
| 833 | D | 25.3 | Very low | 24.5 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 36.6 | 121.1 | 145.8 | -74.5 | -16.2 | 0 | 0 | 0 | 123.5 | ||||
| 834 | S | 24.1 | Very low | 24.6 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 36.1 | 98.7 | 137 | 63.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 835 | A | 26.6 | Very low | 24.7 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -145.6 | 118.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V837 | A835-V837 PolarHBondContact O-N 3.27Š| ||
| 836 | E | 23.8 | Very low | 24.9 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 94% | 0.939 | 73% | 0.729 | S | S | * | * | trans | -64.7 | 115.1 | 172.9 | -159.7 | 170.3 | -164.5 | 0 | 0 | 108.2 | D838 | E836-D838 PolarHBondContact O-N 2.87Š| ||
| 837 | V | 25.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | trans | -79.6 | 110 | -174.8 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | A835 | A835-V837 PolarHBondContact O-N 3.27Š| ||
| 838 | D | 24.1 | Very low | 25.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | -75.6 | 128.8 | 179.3 | -136.1 | -19.3 | 0 | 0 | 0 | 110.5 | E836 A840 E841 | E836-D838 PolarHBondContact O-N 2.87Å; D838-A840 PolarHBondContact O-N 3.42Å; D838-E841 PolarHBondContact O-N 3.13Å; D838-E841 VanDerWaalsContact O-N 3.15Å | ||
| 839 | I | 27.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -7.5 | -166.5 | -65.4 | 173.1 | 0 | 0 | 0 | 113.3 | ||
| 840 | A | 27.6 | Very low | 25.9 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D838 V842 S843 | D838-A840 PolarHBondContact O-N 3.42Å; A840-V842 PolarHBondContact O-N 3.08Å; A840-S843 PolarHBondContact O-N 2.93Å |
| 841 | E | 26.9 | Very low | 25.8 | Very low | 121 Ų | 121 | 124 Ų | 124 | 57% | 0.565 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -74.1 | -26.7 | -171.2 | -157.6 | 169.8 | -167.8 | 0 | 0 | 112.8 | D838 S843 E844 L845 | D838-E841 PolarHBondContact O-N 3.13Å; D838-E841 VanDerWaalsContact O-N 3.15Å; E841-S843 VanDerWaalsContact C-N 3.32Å; E841-S843 PolarHBondContact O-N 2.88Å; E841-E844 PolarHBondContact O-N 2.83Å; E841-L845 WeakPolarHBondContact O-CG 3.46Å; E841-L845 PolarHBondContact O-N 3.08Å; E841-L845 VanDerWaalsContact O-N 3.14Å |
| 842 | V | 28.8 | Very low | 26 | Very low | 76 Ų | 76 | 129 Ų | 129 | 46% | 0.461 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -72.3 | -25.8 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | A840 | A840-V842 PolarHBondContact O-N 3.08Å |
| 843 | S | 28.7 | Very low | 25.9 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -78.3 | -28.8 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | A840 E841 | A840-S843 PolarHBondContact O-N 2.93Å; E841-S843 VanDerWaalsContact C-N 3.32Å; E841-S843 PolarHBondContact O-N 2.88Å |
| 844 | E | 24.1 | Very low | 26.1 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -82.1 | -31.3 | 179.6 | -141.4 | 167.9 | -159.8 | 0 | 0 | 111.8 | E841 L846 T847 E848 | E841-E844 PolarHBondContact O-N 2.83Å; E844-L846 PolarHBondContact O-N 3.03Å; E844-L846 VanDerWaalsContact O-N 3.14Å; E844-T847 PolarHBondContact O-N 3.35Å; E844-T847 PolarHBondContact O-OG1 3.36Å; E844-T847 VanDerWaalsContact O-OG1 3.13Å; E844-E848 PolarHBondContact O-N 3.37Å |
| 845 | L | 25.7 | Very low | 26.1 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -15 | 175.2 | -78.9 | 168 | 0 | 0 | 0 | 114.7 | E841 | E841-L845 WeakPolarHBondContact O-CG 3.46Å; E841-L845 PolarHBondContact O-N 3.08Å; E841-L845 VanDerWaalsContact O-N 3.14Å |
| 846 | L | 27.5 | Very low | 26 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -6.9 | 174.3 | -70.5 | 175.3 | 0 | 0 | 0 | 113.6 | E844 | E844-L846 PolarHBondContact O-N 3.03Å; E844-L846 VanDerWaalsContact O-N 3.14Å |
| 847 | T | 31.5 | Very low | 26.1 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -14.1 | -177.2 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | E844 | E844-T847 PolarHBondContact O-N 3.35Å; E844-T847 PolarHBondContact O-OG1 3.36Å; E844-T847 VanDerWaalsContact O-OG1 3.13Å |
| 848 | E | 24.5 | Very low | 26 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | trans | -118.4 | 116.5 | 176.2 | -70 | -164.5 | 157.4 | 0 | 0 | 113.5 | E844 | E844-E848 PolarHBondContact O-N 3.37Š| ||
| 849 | S | 25.7 | Very low | 25.9 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -47.9 | 147.4 | 157 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 850 | D | 23.5 | Very low | 25.6 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | 79.7 | 82 | 168 | -59.6 | -26.6 | 0 | 0 | 0 | 116.9 | ||||
| 851 | C | 23.8 | Very low | 25.3 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 89% | 0.892 | 74% | 0.738 | S | S | * | * | -156.5 | 130.4 | 128.2 | -102.3 | 0 | 0 | 0 | 0 | 113.1 | S853 | C851-S853 PolarHBondContact O-N 3.18Š| |||
| 852 | K | 24.6 | Very low | 24.9 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -67.9 | 104.6 | 171.9 | -65.6 | 167.4 | 177.1 | 173 | 0 | 108.8 | ||||
| 853 | S | 25 | Very low | 24.6 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -136.5 | 132.1 | 156 | 66.8 | 0 | 0 | 0 | 0 | 108.6 | C851 I855 | C851-S853 PolarHBondContact O-N 3.18Å; S853-I855 PolarHBondContact O-N 3.16Å | ||
| 854 | E | 28.3 | Very low | 24.2 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 25.9 | -159.7 | -87.4 | 175.9 | 140.8 | 0 | 0 | 116.6 | ||
| 855 | I | 25.8 | Very low | 24.2 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -8.7 | -175.1 | -61.7 | 175 | 0 | 0 | 0 | 113.3 | S853 | S853-I855 PolarHBondContact O-N 3.16Š|
| 856 | C | 24.5 | Very low | 24 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -109.3 | 17.3 | -178.5 | -75 | 0 | 0 | 0 | 0 | 116.4 | ||
| 857 | T | 25.4 | Very low | 23.9 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -96.3 | 1.8 | -173 | 42.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 858 | N | 21.9 | Very low | 23.7 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -103.1 | 13.8 | -178.7 | -82.7 | -21.1 | 0 | 0 | 0 | 117.1 | ||
| 859 | I | 23.8 | Very low | 23.7 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -110.6 | 75.8 | 164.2 | -52.8 | 178.7 | 0 | 0 | 0 | 108.6 | L861 | I859-L861 VanDerWaalsContact C-N 3.3Å; I859-L861 HydrophobicContact CG2-CG 4.27Å; I859-L861 PolarHBondContact O-N 3.2Å | ||
| 860 | R | 20.3 | Very low | 23.9 | Very low | 220 Ų | 220 | 142.3 Ų | 142.3 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 84.5 | 172.7 | -156.8 | 172.2 | -168.4 | 173.5 | 4.7 | 108.7 | K862 | R860-K862 PolarHBondContact O-N 3.15Š| ||
| 861 | L | 21.7 | Very low | 24.2 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -57.8 | 98.4 | 166.5 | -77.3 | 159.9 | 0 | 0 | 0 | 109 | I859 | I859-L861 VanDerWaalsContact C-N 3.3Å; I859-L861 HydrophobicContact CG2-CG 4.27Å; I859-L861 PolarHBondContact O-N 3.2Å | ||
| 862 | K | 18.1 | Very low | 24.7 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -92.8 | 96.3 | 164 | -88.2 | -174.9 | 174.9 | 179.1 | 0 | 108.2 | R860 | R860-K862 PolarHBondContact O-N 3.15Š| ||
| 863 | T | 22.3 | Very low | 25.3 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | -179.5 | 109.7 | 128.4 | 31.9 | 0 | 0 | 0 | 0 | 109.8 | C865 | T863-C865 PolarHBondContact O-N 3.44Š| |||
| 864 | S | 21.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -4.5 | 100.1 | 147.4 | 55 | 0 | 0 | 0 | 0 | 117 | ||||
| 865 | C | 22.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | trans | -164.3 | 114.5 | 144 | -99.9 | 0 | 0 | 0 | 0 | 106.1 | T863 L867 | T863-C865 PolarHBondContact O-N 3.44Å; C865-L867 PolarHBondContact O-N 2.74Å | ||
| 866 | D | 21.9 | Very low | 28.8 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 90% | 0.898 | 67% | 0.669 | S | S | * | * | trans | -53.8 | 97.7 | 176.3 | -69.3 | -48.1 | 0 | 0 | 0 | 110.4 | ||||
| 867 | L | 25.5 | Very low | 30.8 | Very low | 115 Ų | 115 | 115 Ų | 115 | 60% | 0.602 | 63% | 0.631 | S | S | * | * | trans | -106.7 | 78.8 | 174.4 | -127.7 | 78.2 | 0 | 0 | 0 | 109.3 | C865 N869 L872 | C865-L867 PolarHBondContact O-N 2.74Å; L867-N869 PolarHBondContact O-N 2.95Å; L867-L872 HydrophobicContact CD2-CB 4.01Å; L867-L872 HydrophobicContact CD2-CD1 3.78Å; L867-L872 HydrophobicContact CD2-CD2 3.95Å; L867-L872 HydrophobicContact CD2-CG 4.1Å; L867-L872 HydrophobicContact CG-CD1 4.33Å | ||
| 868 | S | 26.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | trans | -72.5 | 66.5 | 169.6 | 61.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 869 | N | 25.7 | Very low | 36.2 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | trans | -172.3 | 117.9 | 156.9 | -126.9 | -59.9 | 0 | 0 | 0 | 111.5 | L867 N871 | L867-N869 PolarHBondContact O-N 2.95Å; N869-N871 PolarHBondContact O-N 2.9Å; N869-N871 VanDerWaalsContact O-N 3.09Å; N869-N871 PolarHBondContact OD1-ND2 3.03Å; N869-N871 VanDerWaalsContact OD1-ND2 3.12Å | ||
| 870 | P | 29.2 | Very low | 39 | Very low | 119 Ų | 119 | 104.5 Ų | 104.5 | 77% | 0.773 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -68.7 | -4 | 175.4 | 26.7 | -31.7 | 0 | 0 | 0 | 113.9 | L872 | P870-L872 PolarHBondContact O-N 3.07Š|
| 871 | N | 30 | Very low | 42.1 | Very low | 129 Ų | 129 | 94.9 Ų | 94.9 | 69% | 0.69 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -76.1 | 2.4 | 177.3 | -73.2 | -55.8 | 0 | 0 | 0 | 115.2 | N869 | N869-N871 PolarHBondContact O-N 2.9Å; N869-N871 VanDerWaalsContact O-N 3.09Å; N869-N871 PolarHBondContact OD1-ND2 3.03Å; N869-N871 VanDerWaalsContact OD1-ND2 3.12Å |
| 872 | L | 33 | Very low | 45.1 | Very low | 117 Ų | 117 | 87.2 Ų | 87.2 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -87 | -1.8 | -177.9 | -126.7 | 125.1 | 0 | 0 | 0 | 114.7 | L867 P870 F874 | L867-L872 HydrophobicContact CD2-CB 4.01Å; L867-L872 HydrophobicContact CD2-CD1 3.78Å; L867-L872 HydrophobicContact CD2-CD2 3.95Å; L867-L872 HydrophobicContact CD2-CG 4.1Å; L867-L872 HydrophobicContact CG-CD1 4.33Å; P870-L872 PolarHBondContact O-N 3.07Å; L872-F874 PolarHBondContact O-N 2.96Å |
| 873 | L | 38.4 | Very low | 48.2 | Very low | 98 Ų | 98 | 84 Ų | 84 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -66.1 | -18.2 | 172.6 | -97.1 | 156.1 | 0 | 0 | 0 | 112.9 | P810 F815 | P810-L873 VanDerWaalsContact CG-O 3.24Å; P810-L873 WeakPolarHBondContact CG-O 3.39Å; F815-L873 HydrophobicContact CZ-CD2 4.42Å |
| 874 | F | 45.1 | Very low | 50.8 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 20% | 0.202 | 46% | 0.461 | C | S | . | . | trans | -141.7 | 120.6 | 179.1 | -59.2 | -74.1 | 0 | 0 | 0 | 112.5 | F807 L872 A876 C1033 I1037 | F807-F874 HydrophobicContact CE1-CD1 4Å; F807-F874 HydrophobicContact CE1-CE1 4.46Å; F807-F874 HydrophobicContact CE2-CB 3.64Å; F807-F874 AromaticContact CE2-CD1 3.85Å; F807-F874 HydrophobicContact CE2-CD1 3.85Å; F807-F874 AromaticContact CE2-CG 3.88Å; F807-F874 HydrophobicContact CE2-CG 3.88Å; F807-F874 HydrophobicContact CZ-CB 3.91Å; F807-F874 AromaticContact CZ-CD1 3.17Å; F807-F874 HydrophobicContact CZ-CD1 3.17Å; F807-F874 AromaticContact CZ-CE1 3.79Å; F807-F874 HydrophobicContact CZ-CE1 3.79Å; F807-F874 AromaticContact CZ-CG 3.68Å; F807-F874 HydrophobicContact CZ-CG 3.68Å; L872-F874 PolarHBondContact O-N 2.96Å; F874-A876 VanDerWaalsContact C-N 3.3Å; F874-A876 PolarHBondContact O-N 3.43Å; F874-C1033 HydrophobicContact CE1-CB 3.84Å; F874-C1033 HydrophobicContact CZ-CB 3.63Å; F874-I1037 HydrophobicContact CZ-CD1 3.98Å | ||
| 875 | T | 48.6 | Very low | 53 | Low | 69 Ų | 69 | 87.3 Ų | 87.3 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | trans | -79.2 | 78.1 | 170.6 | -42 | 0 | 0 | 0 | 0 | 109.6 | F899 I900 | T875-F899 HydrophobicContact CG2-CB 3.66Å; T875-I900 HydrophobicContact CG2-CG1 3.98Å | ||
| 876 | A | 58.8 | Low | 55.5 | Low | 25 Ų | 25 | 87.3 Ų | 87.3 | 21% | 0.207 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 136.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F807 F874 F899 M1026 | F807-A876 HydrophobicContact CD2-CB 3.74Å; F807-A876 HydrophobicContact CE2-CB 4.2Å; F874-A876 VanDerWaalsContact C-N 3.3Å; F874-A876 PolarHBondContact O-N 3.43Å; A876-F899 WeakPolarHBondContact O-CD2 3.4Å; A876-F899 WeakPolarHBondContact O-CE2 3.43Å; A876-M1026 HydrophobicContact CB-CE 4.06Å |
| 877 | A | 66.5 | Low | 57.9 | Low | 4 Ų | 4 | 81.7 Ų | 81.7 | 3% | 0.033 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L806 L896 T897 M1026 | L806-A877 HydrophobicContact CB-CB 4.49Å; L806-A877 HydrophobicContact CD2-CB 3.9Å; L806-A877 PolarHBondContact O-N 3.04Å; A877-L896 HydrophobicContact CB-CD1 3.94Å; A877-T897 VanDerWaalsContact CA-O 3.32Å; A877-T897 WeakPolarHBondContact CA-O 3.46Å; A877-M1026 VanDerWaalsContact O-CE 3.3Å; A877-M1026 WeakPolarHBondContact O-CE 3.41Å |
| 878 | K | 76 | Confident | 60.4 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.8 | 177.9 | -164.3 | -176.5 | -164.7 | -169.9 | 0 | 110.9 | E880 L896 T897 F899 | K878-E880 HydrophobicContact CD-CG 4.13Å; K878-E880 WeakPolarHBondContact CD-OE1 3.46Å; K878-E880 WeakPolarHBondContact CE-OE1 3.41Å; K878-E880 HydrophobicContact CG-CG 4.1Å; K878-E880 IonicContact NZ-OE1 3.93Å; K878-E880 PolarHBondContact NZ-OE1 3.34Å; K878-L896 CarbonylContact O-C 3.58Å; K878-L896 WeakPolarHBondContact O-CA 3.15Å; K878-T897 PolarHBondContact N-O 3.23Å; K878-T897 VanDerWaalsContact N-O 3.08Å; K878-T897 PolarHBondContact O-N 2.89Å; K878-F899 HydrophobicContact CB-CE2 3.74Å; K878-F899 HydrophobicContact CB-CZ 3.86Å |
| 879 | A | 83.9 | Confident | 63 | Low | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | L895 L896 L1019 I1022 | A879-L895 CarbonylContact C-O 3.5Å; A879-L895 VanDerWaalsContact CA-O 3.31Å; A879-L895 WeakPolarHBondContact CA-O 3.39Å; A879-L896 HydrophobicContact CB-CD1 4.15Å; A879-L1019 HydrophobicContact CB-CD2 4.16Å; A879-I1022 HydrophobicContact CB-CG2 3.81Å |
| 880 | E | 82.4 | Confident | 65.7 | Low | 66 Ų | 66 | 75.8 Ų | 75.8 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.6 | 179.2 | -63.1 | -174.8 | 153.2 | 0 | 0 | 110.9 | K878 F894 L895 | K878-E880 HydrophobicContact CD-CG 4.13Å; K878-E880 WeakPolarHBondContact CD-OE1 3.46Å; K878-E880 WeakPolarHBondContact CE-OE1 3.41Å; K878-E880 HydrophobicContact CG-CG 4.1Å; K878-E880 IonicContact NZ-OE1 3.93Å; K878-E880 PolarHBondContact NZ-OE1 3.34Å; E880-F894 CarbonylContact O-C 3.54Å; E880-F894 WeakPolarHBondContact O-CA 3.22Å; E880-F894 WeakPolarHBondContact O-CB 2.98Å; E880-L895 PolarHBondContact N-O 3.22Å; E880-L895 PolarHBondContact O-N 3.39Å |
| 881 | P | 86.8 | Confident | 68.4 | Low | 18 Ų | 18 | 72.2 Ų | 72.2 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 144.9 | 167.6 | -24.8 | 35.4 | 0 | 0 | 0 | 111.9 | L889 L1009 L1019 | P881-L889 HydrophobicContact CB-CD2 3.65Å; P881-L889 HydrophobicContact CG-CD2 4.41Å; P881-L1009 HydrophobicContact CG-CB 3.72Å; P881-L1009 HydrophobicContact CG-CD1 3.71Å; P881-L1009 HydrophobicContact CG-CD2 4.37Å; P881-L1009 HydrophobicContact CG-CG 4.17Å; P881-L1019 HydrophobicContact CG-CD1 4.38Å |
| 882 | G | 84.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 142 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L889 D890 S893 | G882-L889 CarbonylContact O-C 3.58Å; G882-L889 WeakPolarHBondContact O-CA 3.47Å; G882-D890 PolarHBondContact O-N 3.13Å; G882-S893 VanDerWaalsContact CA-O 3.3Å; G882-S893 WeakPolarHBondContact CA-O 3.4Å; G882-S893 PolarHBondContact N-O 3.03Å |
| 883 | K | 82.1 | Confident | 73.8 | Confident | 107 Ų | 107 | 64 Ų | 64 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.1 | 171.7 | -64.5 | 178.4 | -176 | 176.8 | 0 | 110.6 | I888 L889 R906 | K883-I888 CarbonylContact C-O 3.56Å; K883-I888 WeakPolarHBondContact CA-O 3.39Å; K883-L889 HydrophobicContact CG-CD2 4.14Å; K883-R906 PolarHBondContact O-NH1 3.45Å |
| 884 | H | 77.2 | Confident | 76.3 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | trans | -77.5 | 166.6 | 166.9 | -70.3 | -80.1 | 0 | 0 | 0 | 110.1 | N886 G887 I888 D890 | H884-N886 WeakPolarHBondContact CB-OD1 3.26Å; H884-N886 PolarHBondContact O-N 3.05Å; H884-N886 VanDerWaalsContact O-N 3.15Å; H884-G887 PolarHBondContact O-N 3Å; H884-I888 PolarHBondContact N-O 2.66Å; H884-D890 WeakPolarHBondContact NE2-CB 3.22Å; H884-D890 IonicContact NE2-OD1 3.56Å | ||
| 885 | R | 67.5 | Low | 78.4 | Confident | 230 Ų | 230 | 58.4 Ų | 58.4 | 87% | 0.868 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.7 | -177.7 | -172.5 | 178.6 | 178.6 | -174.8 | 0.1 | 113.2 | G887 | R885-G887 VanDerWaalsContact C-N 3.28Š|
| 886 | N | 74.7 | Confident | 80.2 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.3 | 176.1 | 61 | -3.1 | 0 | 0 | 0 | 113.6 | H884 I888 | H884-N886 WeakPolarHBondContact CB-OD1 3.26Å; H884-N886 PolarHBondContact O-N 3.05Å; H884-N886 VanDerWaalsContact O-N 3.15Å; N886-I888 VanDerWaalsContact C-N 3.31Å; N886-I888 WeakPolarHBondContact ND2-CD1 3.48Å; N886-I888 PolarHBondContact O-N 2.9Å; N886-I888 WeakPolarHBondContact OD1-CB 3.48Å; N886-I888 WeakPolarHBondContact OD1-CG1 3.45Å; N886-I888 PolarHBondContact OD1-N 3.41Å |
| 887 | G | 74.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 86.2 | -9.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H884 R885 | H884-G887 PolarHBondContact O-N 3Å; R885-G887 VanDerWaalsContact C-N 3.28Å |
| 888 | I | 77.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | trans | -67.7 | 139.2 | 178.8 | -57.7 | -178.7 | 0 | 0 | 0 | 110 | K883 H884 N886 D890 | K883-I888 CarbonylContact C-O 3.56Å; K883-I888 WeakPolarHBondContact CA-O 3.39Å; H884-I888 PolarHBondContact N-O 2.66Å; N886-I888 VanDerWaalsContact C-N 3.31Å; N886-I888 WeakPolarHBondContact ND2-CD1 3.48Å; N886-I888 PolarHBondContact O-N 2.9Å; N886-I888 WeakPolarHBondContact OD1-CB 3.48Å; N886-I888 WeakPolarHBondContact OD1-CG1 3.45Å; N886-I888 PolarHBondContact OD1-N 3.41Å; I888-D890 PolarHBondContact O-N 3.16Å | ||
| 889 | L | 81.2 | Confident | 80.8 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 132 | 175 | -68.5 | 164.6 | 0 | 0 | 0 | 110.9 | P881 G882 K883 P891 | P881-L889 HydrophobicContact CB-CD2 3.65Å; P881-L889 HydrophobicContact CG-CD2 4.41Å; G882-L889 CarbonylContact O-C 3.58Å; G882-L889 WeakPolarHBondContact O-CA 3.47Å; K883-L889 HydrophobicContact CG-CD2 4.14Å; L889-P891 WeakPolarHBondContact O-CD 3.48Å |
| 890 | D | 83.2 | Confident | 79.5 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 106.2 | 165.4 | 180 | 3.6 | 0 | 0 | 0 | 107.7 | G882 H884 I888 D892 S893 R906 R908 | G882-D890 PolarHBondContact O-N 3.13Å; H884-D890 WeakPolarHBondContact NE2-CB 3.22Å; H884-D890 IonicContact NE2-OD1 3.56Å; I888-D890 PolarHBondContact O-N 3.16Å; D890-D892 PolarHBondContact O-N 3Å; D890-D892 VanDerWaalsContact O-N 3.17Å; D890-D892 PolarHBondContact OD1-N 3.33Å; D890-S893 WeakPolarHBondContact CB-OG 3.28Å; D890-S893 VanDerWaalsContact CG-OG 3.28Å; D890-S893 PolarHBondContact O-N 3Å; D890-S893 PolarHBondContact OD2-OG 3.35Å; D890-R906 VanDerWaalsContact CG-NH2 3.25Å; D890-R906 IonicContact OD2-CZ 2.62Å; D890-R906 IonicContact OD2-NE 2.93Å; D890-R906 IonicContact OD2-NH2 2.62Å; D890-R906 PolarHBondContact OD2-NH2 2.78Å; D890-R908 IonicContact OD1-NH2 3.07Å; D890-R908 IonicContact OD2-CZ 3.96Å; D890-R908 IonicContact OD2-NE 3.74Å; D890-R908 IonicContact OD2-NH2 3.14Å; D890-R908 PolarHBondContact OD2-NH2 3.06Å |
| 891 | P | 84.1 | Confident | 78.6 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 29% | 0.292 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -22 | -177.5 | 27.5 | -35.2 | 0 | 0 | 0 | 112.8 | L889 S893 S1010 T1011 N1012 V1015 | L889-P891 WeakPolarHBondContact O-CD 3.48Å; P891-S893 VanDerWaalsContact C-N 3.35Å; P891-S1010 PolarHBondContact O-OG 3.04Å; P891-T1011 WeakPolarHBondContact CB-OG1 3.23Å; P891-N1012 WeakPolarHBondContact O-CB 3.45Å; P891-V1015 WeakPolarHBondContact O-CG2 3.37Å |
| 892 | D | 87.7 | Confident | 77.8 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 3.1 | -175.6 | -66.3 | -35.5 | 0 | 0 | 0 | 113.2 | D890 R908 N1012 V1015 | D890-D892 PolarHBondContact O-N 3Å; D890-D892 VanDerWaalsContact O-N 3.17Å; D890-D892 PolarHBondContact OD1-N 3.33Å; D892-R908 WeakPolarHBondContact O-CA 3.48Å; D892-R908 WeakPolarHBondContact O-CB 3.48Å; D892-R908 VanDerWaalsContact O-CG 3.22Å; D892-R908 WeakPolarHBondContact O-CG 3.29Å; D892-N1012 PolarHBondContact OD1-ND2 2.72Å; D892-V1015 VanDerWaalsContact C-CG2 3.43Å |
| 893 | S | 90.1 | Very high | 77.4 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 154.9 | -176.8 | 73.4 | 0 | 0 | 0 | 0 | 115 | G882 D890 P891 R906 F907 | G882-S893 VanDerWaalsContact CA-O 3.3Å; G882-S893 WeakPolarHBondContact CA-O 3.4Å; G882-S893 PolarHBondContact N-O 3.03Å; D890-S893 WeakPolarHBondContact CB-OG 3.28Å; D890-S893 VanDerWaalsContact CG-OG 3.28Å; D890-S893 PolarHBondContact O-N 3Å; D890-S893 PolarHBondContact OD2-OG 3.35Å; P891-S893 VanDerWaalsContact C-N 3.35Å; S893-R906 PolarHBondContact OG-NE 3.12Å; S893-R906 PolarHBondContact OG-NH2 3.06Å; S893-F907 CarbonylContact C-O 3.53Å; S893-F907 WeakPolarHBondContact CA-O 3.33Å; S893-F907 WeakPolarHBondContact CB-O 3.47Å |
| 894 | F | 91.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160 | 166.6 | 67 | -89 | 0 | 0 | 0 | 111 | M780 E880 R906 F907 P909 V1015 W1018 L1019 I1022 | M780-F894 HydrophobicContact CE-CE2 4.4Å; M780-F894 HydrophobicContact CE-CZ 4.14Å; E880-F894 CarbonylContact O-C 3.54Å; E880-F894 WeakPolarHBondContact O-CA 3.22Å; E880-F894 WeakPolarHBondContact O-CB 2.98Å; F894-R906 CarbonylContact O-C 3.54Å; F894-R906 WeakPolarHBondContact O-CA 3.18Å; F894-F907 HydrophobicContact CD1-CB 3.99Å; F894-F907 HydrophobicContact CD2-CB 4.22Å; F894-F907 HydrophobicContact CD2-CD2 4.24Å; F894-F907 HydrophobicContact CE1-CB 3.52Å; F894-F907 HydrophobicContact CE1-CG 4.41Å; F894-F907 HydrophobicContact CE2-CB 3.77Å; F894-F907 AromaticContact CE2-CD2 3.62Å; F894-F907 HydrophobicContact CE2-CD2 3.62Å; F894-F907 AromaticContact CE2-CG 3.94Å; F894-F907 HydrophobicContact CE2-CG 3.94Å; F894-F907 HydrophobicContact CG-CB 4.33Å; F894-F907 HydrophobicContact CZ-CB 3.4Å; F894-F907 AromaticContact CZ-CD2 3.99Å; F894-F907 HydrophobicContact CZ-CD2 3.99Å; F894-F907 AromaticContact CZ-CG 3.81Å; F894-F907 HydrophobicContact CZ-CG 3.81Å; F894-F907 PolarHBondContact N-O 2.88Å; F894-F907 PolarHBondContact O-N 3.24Å; F894-P909 HydrophobicContact CD1-CG 4.3Å; F894-P909 HydrophobicContact CE1-CG 3.81Å; F894-V1015 HydrophobicContact CB-CG1 4.22Å; F894-V1015 HydrophobicContact CD1-CG1 4.31Å; F894-W1018 HydrophobicContact CD1-CB 4.34Å; F894-W1018 HydrophobicContact CE1-CB 3.69Å; F894-W1018 HydrophobicContact CE1-CD2 4.44Å; F894-W1018 HydrophobicContact CE1-CG 4.05Å; F894-W1018 HydrophobicContact CZ-CB 4.1Å; F894-W1018 HydrophobicContact CZ-CD2 4.36Å; F894-W1018 HydrophobicContact CZ-CE3 4.15Å; F894-W1018 HydrophobicContact CZ-CG 4.37Å; F894-L1019 HydrophobicContact CB-CD1 4.32Å; F894-L1019 HydrophobicContact CB-CD2 3.81Å; F894-L1019 HydrophobicContact CB-CG 4.05Å; F894-L1019 HydrophobicContact CD2-CD2 4.46Å; F894-L1019 HydrophobicContact CG-CD2 4.26Å; F894-L1019 HydrophobicContact CG-CG 4.47Å; F894-I1022 HydrophobicContact CD2-CD1 4.49Å; F894-I1022 HydrophobicContact CE2-CD1 3.84Å; F894-I1022 HydrophobicContact CZ-CD1 4.3Å |
| 895 | L | 88.4 | Confident | 77.8 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.3 | 175.9 | -63.6 | 171.1 | 0 | 0 | 0 | 109.3 | V696 A879 E880 T904 Y905 R906 | V696-L895 HydrophobicContact CG2-CD2 4.2Å; A879-L895 CarbonylContact C-O 3.5Å; A879-L895 VanDerWaalsContact CA-O 3.31Å; A879-L895 WeakPolarHBondContact CA-O 3.39Å; E880-L895 PolarHBondContact N-O 3.22Å; E880-L895 PolarHBondContact O-N 3.39Å; L895-T904 HydrophobicContact CB-CG2 4.14Å; L895-T904 HydrophobicContact CD2-CG2 4.02Å; L895-Y905 CarbonylContact C-O 3.6Å; L895-Y905 VanDerWaalsContact CA-O 3.3Å; L895-Y905 WeakPolarHBondContact CA-O 3.13Å; L895-R906 HydrophobicContact CD2-CB 3.54Å; L895-R906 HydrophobicContact CD2-CG 3.69Å |
| 896 | L | 86.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.3 | 170.2 | -175.7 | 68.6 | 0 | 0 | 0 | 108.2 | M780 H804 L806 A877 K878 A879 Y905 F907 | M780-L896 HydrophobicContact SD-CD2 3.62Å; H804-L896 VanDerWaalsContact CE1-CD2 3.49Å; H804-L896 WeakPolarHBondContact CE1-CD2 3.4Å; H804-L896 WeakPolarHBondContact ND1-CD2 3.4Å; L806-L896 HydrophobicContact CD2-CD1 3.84Å; L806-L896 HydrophobicContact CD2-CD2 3.73Å; L806-L896 HydrophobicContact CD2-CG 4.32Å; A877-L896 HydrophobicContact CB-CD1 3.94Å; K878-L896 CarbonylContact O-C 3.58Å; K878-L896 WeakPolarHBondContact O-CA 3.15Å; A879-L896 HydrophobicContact CB-CD1 4.15Å; L896-Y905 PolarHBondContact N-O 3.44Å; L896-Y905 PolarHBondContact O-N 2.94Å; L896-F907 HydrophobicContact CB-CD2 4.27Å; L896-F907 HydrophobicContact CB-CE2 3.93Å; L896-F907 HydrophobicContact CD2-CE2 4.28Å |
| 897 | T | 80 | Confident | 79.7 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120 | 179.1 | -57 | 0 | 0 | 0 | 0 | 110.1 | A877 K878 F899 T904 | A877-T897 VanDerWaalsContact CA-O 3.32Å; A877-T897 WeakPolarHBondContact CA-O 3.46Å; K878-T897 PolarHBondContact N-O 3.23Å; K878-T897 VanDerWaalsContact N-O 3.08Å; K878-T897 PolarHBondContact O-N 2.89Å; T897-F899 HydrophobicContact CG2-CE1 4.39Å; T897-T904 PolarHBondContact OG1-OG1 3.43Å; T897-T904 VanDerWaalsContact OG1-OG1 3.09Å |
| 898 | D | 71.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 114.8 | 167.5 | -163.3 | -32.6 | 0 | 0 | 0 | 108.9 | H804 I900 L901 G902 K903 | H804-D898 IonicContact CD2-OD2 2.96Å; H804-D898 PolarHBondContact CD2-OD2 3.07Å; H804-D898 WeakPolarHBondContact NE2-CB 3.41Å; H804-D898 IonicContact NE2-OD2 2.61Å; H804-D898 PolarHBondContact NE2-OD2 3.36Å; H804-D898 VanDerWaalsContact NE2-OD2 3.07Å; D898-I900 WeakPolarHBondContact OD1-CA 3.36Å; D898-I900 VanDerWaalsContact OD1-CB 3.28Å; D898-I900 WeakPolarHBondContact OD1-CB 3.48Å; D898-I900 PolarHBondContact OD1-N 3.12Å; D898-L901 HydrophobicContact CB-CB 4.03Å; D898-L901 PolarHBondContact OD1-N 2.77Å; D898-L901 WeakPolarHBondContact OD2-CB 3.46Å; D898-L901 WeakPolarHBondContact OD2-CD1 3.41Å; D898-L901 WeakPolarHBondContact OD2-CG 3.28Å; D898-G902 CarbonylContact O-C 3.56Å; D898-G902 VanDerWaalsContact O-CA 3.3Å; D898-G902 WeakPolarHBondContact O-CA 3.35Å; D898-G902 PolarHBondContact O-N 3.41Å; D898-K903 WeakPolarHBondContact CB-O 3.4Å; D898-K903 PolarHBondContact N-O 3.26Å; D898-K903 PolarHBondContact O-N 2.99Å; D898-K903 VanDerWaalsContact O-N 3.13Å |
| 899 | F | 63.5 | Low | 81.2 | Confident | 116 Ų | 116 | 41.6 Ų | 41.6 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.4 | 174.6 | -65.8 | -77.5 | 0 | 0 | 0 | 112.6 | T875 A876 K878 T897 | T875-F899 HydrophobicContact CG2-CB 3.66Å; A876-F899 WeakPolarHBondContact O-CD2 3.4Å; A876-F899 WeakPolarHBondContact O-CE2 3.43Å; K878-F899 HydrophobicContact CB-CE2 3.74Å; K878-F899 HydrophobicContact CB-CZ 3.86Å; T897-F899 HydrophobicContact CG2-CE1 4.39Å |
| 900 | I | 57 | Low | 81.3 | Confident | 106 Ų | 106 | 40.9 Ų | 40.9 | 54% | 0.544 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -47.6 | 177.3 | -56.5 | 173.5 | 0 | 0 | 0 | 109.4 | T875 D898 | T875-I900 HydrophobicContact CG2-CG1 3.98Å; D898-I900 WeakPolarHBondContact OD1-CA 3.36Å; D898-I900 VanDerWaalsContact OD1-CB 3.28Å; D898-I900 WeakPolarHBondContact OD1-CB 3.48Å; D898-I900 PolarHBondContact OD1-N 3.12Å |
| 901 | L | 63 | Low | 80.9 | Confident | 95 Ų | 95 | 43.5 Ų | 43.5 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.8 | 178.5 | -63.6 | -179.2 | 0 | 0 | 0 | 113.9 | D898 K903 | D898-L901 HydrophobicContact CB-CB 4.03Å; D898-L901 PolarHBondContact OD1-N 2.77Å; D898-L901 WeakPolarHBondContact OD2-CB 3.46Å; D898-L901 WeakPolarHBondContact OD2-CD1 3.41Å; D898-L901 WeakPolarHBondContact OD2-CG 3.28Å; L901-K903 HydrophobicContact CB-CB 4.27Å; L901-K903 HydrophobicContact CB-CD 4.22Å; L901-K903 HydrophobicContact CB-CG 4.34Å; L901-K903 WeakPolarHBondContact O-CG 3.48Å; L901-K903 PolarHBondContact O-N 3.08Å |
| 902 | G | 68.7 | Low | 79.6 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 67% | 0.67 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 27 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D898 | D898-G902 CarbonylContact O-C 3.56Å; D898-G902 VanDerWaalsContact O-CA 3.3Å; D898-G902 WeakPolarHBondContact O-CA 3.35Å; D898-G902 PolarHBondContact O-N 3.41Å |
| 903 | K | 76.3 | Confident | 77.1 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.6 | -172.9 | -75.9 | 172.7 | -170.7 | 168.8 | 0 | 111.1 | D898 L901 Y905 | D898-K903 WeakPolarHBondContact CB-O 3.4Å; D898-K903 PolarHBondContact N-O 3.26Å; D898-K903 PolarHBondContact O-N 2.99Å; D898-K903 VanDerWaalsContact O-N 3.13Å; L901-K903 HydrophobicContact CB-CB 4.27Å; L901-K903 HydrophobicContact CB-CD 4.22Å; L901-K903 HydrophobicContact CB-CG 4.34Å; L901-K903 WeakPolarHBondContact O-CG 3.48Å; L901-K903 PolarHBondContact O-N 3.08Å; K903-Y905 HydrophobicContact CB-CE2 3.87Å; K903-Y905 WeakPolarHBondContact CD-OH 3.49Å |
| 904 | T | 81.5 | Confident | 74.4 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129 | 169.4 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | V696 L895 T897 | V696-T904 WeakPolarHBondContact CA-O 3.46Å; V696-T904 HydrophobicContact CB-CG2 4.36Å; V696-T904 WeakPolarHBondContact CB-O 3.18Å; V696-T904 PolarHBondContact N-O 3.5Å; L895-T904 HydrophobicContact CB-CG2 4.14Å; L895-T904 HydrophobicContact CD2-CG2 4.02Å; T897-T904 PolarHBondContact OG1-OG1 3.43Å; T897-T904 VanDerWaalsContact OG1-OG1 3.09Å |
| 905 | Y | 87.1 | Confident | 71.5 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 140.7 | 175.2 | -60.4 | -81.4 | 0 | 0 | 0 | 109.7 | R693 T695 H804 L895 L896 K903 F907 | R693-Y905 HydrophobicContact CG-CD1 4.27Å; T695-Y905 HydrophobicContact CG2-CE1 4.36Å; H804-Y905 AromaticContact CE1-CD2 3.94Å; L895-Y905 CarbonylContact C-O 3.6Å; L895-Y905 VanDerWaalsContact CA-O 3.3Å; L895-Y905 WeakPolarHBondContact CA-O 3.13Å; L896-Y905 PolarHBondContact N-O 3.44Å; L896-Y905 PolarHBondContact O-N 2.94Å; K903-Y905 HydrophobicContact CB-CE2 3.87Å; K903-Y905 WeakPolarHBondContact CD-OH 3.49Å; Y905-F907 VanDerWaalsContact CB-CE2 3.44Å; Y905-F907 HydrophobicContact CG-CE2 4.45Å; Y905-F907 HydrophobicContact CG-CZ 4.47Å |
| 906 | R | 89.7 | Confident | 68.5 | Low | 11 Ų | 11 | 67.6 Ų | 67.6 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.9 | 171.1 | -169.5 | 171.6 | 170.1 | 161 | -3.5 | 110.3 | R693 R694 V696 W762 K883 D890 S893 F894 L895 | R693-R906 CarbonylContact C-O 3.57Å; R693-R906 WeakPolarHBondContact CA-O 3.31Å; R694-R906 HydrophobicContact CG-CB 3.71Å; R694-R906 PolarHBondContact N-O 3Å; R694-R906 VanDerWaalsContact NH2-CD 3.27Å; R694-R906 PolarHBondContact O-N 3.22Å; V696-R906 HydrophobicContact CG2-CB 3.93Å; W762-R906 HydrophobicContact CH2-CG 4.18Å; K883-R906 PolarHBondContact O-NH1 3.45Å; D890-R906 VanDerWaalsContact CG-NH2 3.25Å; D890-R906 IonicContact OD2-CZ 2.62Å; D890-R906 IonicContact OD2-NE 2.93Å; D890-R906 IonicContact OD2-NH2 2.62Å; D890-R906 PolarHBondContact OD2-NH2 2.78Å; S893-R906 PolarHBondContact OG-NE 3.12Å; S893-R906 PolarHBondContact OG-NH2 3.06Å; F894-R906 CarbonylContact O-C 3.54Å; F894-R906 WeakPolarHBondContact O-CA 3.18Å; L895-R906 HydrophobicContact CD2-CB 3.54Å; L895-R906 HydrophobicContact CD2-CG 3.69Å |
| 907 | F | 92.1 | Very high | 65.6 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.2 | -176.5 | -68.4 | -82 | 0 | 0 | 0 | 111.4 | V691 Q692 R693 M780 Y782 S893 F894 L896 Y905 | V691-F907 HydrophobicContact CB-CD1 4.2Å; V691-F907 HydrophobicContact CG2-CD1 3.82Å; V691-F907 HydrophobicContact CG2-CE1 4.23Å; Q692-F907 CarbonylContact O-C 3.47Å; Q692-F907 VanDerWaalsContact O-CA 3.22Å; Q692-F907 WeakPolarHBondContact O-CA 3.39Å; R693-F907 HydrophobicContact CB-CD1 3.97Å; R693-F907 HydrophobicContact CB-CE1 3.7Å; R693-F907 HydrophobicContact CB-CZ 4.48Å; R693-F907 HydrophobicContact CG-CD1 3.99Å; R693-F907 HydrophobicContact CG-CE1 3.43Å; R693-F907 VanDerWaalsContact CG-CE1 3.43Å; R693-F907 HydrophobicContact CG-CZ 3.71Å; M780-F907 HydrophobicContact CE-CD1 4.02Å; M780-F907 HydrophobicContact CE-CD2 4.2Å; M780-F907 HydrophobicContact CE-CE1 3.84Å; M780-F907 HydrophobicContact CE-CE2 4.02Å; M780-F907 HydrophobicContact CE-CG 4.21Å; M780-F907 HydrophobicContact CE-CZ 3.86Å; Y782-F907 HydrophobicContact CD1-CE1 4.02Å; Y782-F907 HydrophobicContact CD1-CZ 4.48Å; Y782-F907 HydrophobicContact CE1-CD1 4.41Å; Y782-F907 AromaticContact CE1-CE1 3.31Å; Y782-F907 HydrophobicContact CE1-CE1 3.31Å; Y782-F907 AromaticContact CE1-CZ 3.47Å; Y782-F907 HydrophobicContact CE1-CZ 3.47Å; Y782-F907 VanDerWaalsContact CE1-CZ 3.47Å; Y782-F907 HydrophobicContact CE2-CZ 4.47Å; Y782-F907 AromaticContact CZ-CE1 3.85Å; Y782-F907 AromaticContact CZ-CZ 3.47Å; Y782-F907 VanDerWaalsContact CZ-CZ 3.47Å; Y782-F907 WeakPolarHBondContact OH-CZ 3.43Å; S893-F907 CarbonylContact C-O 3.53Å; S893-F907 WeakPolarHBondContact CA-O 3.33Å; S893-F907 WeakPolarHBondContact CB-O 3.47Å; F894-F907 HydrophobicContact CD1-CB 3.99Å; F894-F907 HydrophobicContact CD2-CB 4.22Å; F894-F907 HydrophobicContact CD2-CD2 4.24Å; F894-F907 HydrophobicContact CE1-CB 3.52Å; F894-F907 HydrophobicContact CE1-CG 4.41Å; F894-F907 HydrophobicContact CE2-CB 3.77Å; F894-F907 AromaticContact CE2-CD2 3.62Å; F894-F907 HydrophobicContact CE2-CD2 3.62Å; F894-F907 AromaticContact CE2-CG 3.94Å; F894-F907 HydrophobicContact CE2-CG 3.94Å; F894-F907 HydrophobicContact CG-CB 4.33Å; F894-F907 HydrophobicContact CZ-CB 3.4Å; F894-F907 AromaticContact CZ-CD2 3.99Å; F894-F907 HydrophobicContact CZ-CD2 3.99Å; F894-F907 AromaticContact CZ-CG 3.81Å; F894-F907 HydrophobicContact CZ-CG 3.81Å; F894-F907 PolarHBondContact N-O 2.88Å; F894-F907 PolarHBondContact O-N 3.24Å; L896-F907 HydrophobicContact CB-CD2 4.27Å; L896-F907 HydrophobicContact CB-CE2 3.93Å; L896-F907 HydrophobicContact CD2-CE2 4.28Å; Y905-F907 VanDerWaalsContact CB-CE2 3.44Å; Y905-F907 HydrophobicContact CG-CE2 4.45Å; Y905-F907 HydrophobicContact CG-CZ 4.47Å |
| 908 | R | 91.9 | Very high | 63.2 | Low | 65 Ų | 65 | 78.7 Ų | 78.7 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 105.3 | 164.9 | -62.6 | -172.3 | 162.7 | 174.1 | -8.3 | 109.9 | V691 Q692 W762 D890 D892 | V691-R908 CarbonylContact C-O 3.55Å; V691-R908 WeakPolarHBondContact CA-O 3.22Å; Q692-R908 HydrophobicContact CB-CB 4.19Å; Q692-R908 PolarHBondContact N-O 3.42Å; Q692-R908 PolarHBondContact O-N 2.84Å; W762-R908 HydrophobicContact CH2-CB 4.5Å; W762-R908 HydrophobicContact CH2-CG 3.41Å; W762-R908 VanDerWaalsContact CH2-CG 3.41Å; W762-R908 HydrophobicContact CZ2-CG 4.05Å; W762-R908 HydrophobicContact CZ3-CB 4.38Å; W762-R908 HydrophobicContact CZ3-CG 3.72Å; D890-R908 IonicContact OD1-NH2 3.07Å; D890-R908 IonicContact OD2-CZ 3.96Å; D890-R908 IonicContact OD2-NE 3.74Å; D890-R908 IonicContact OD2-NH2 3.14Å; D890-R908 PolarHBondContact OD2-NH2 3.06Å; D892-R908 WeakPolarHBondContact O-CA 3.48Å; D892-R908 WeakPolarHBondContact O-CB 3.48Å; D892-R908 VanDerWaalsContact O-CG 3.22Å; D892-R908 WeakPolarHBondContact O-CG 3.29Å |
| 909 | P | 91.3 | Very high | 60.9 | Low | 12 Ų | 12 | 84.3 Ų | 84.3 | 8% | 0.078 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 136.4 | 168.4 | -24.1 | 36.5 | 0 | 0 | 0 | 111.2 | F894 N1014 V1015 W1018 | F894-P909 HydrophobicContact CD1-CG 4.3Å; F894-P909 HydrophobicContact CE1-CG 3.81Å; P909-N1014 HydrophobicContact CB-CB 3.8Å; P909-V1015 HydrophobicContact CG-CG2 4.18Å; P909-W1018 HydrophobicContact CG-CB 4.41Å; P909-W1018 HydrophobicContact CG-CG 3.99Å |
| 910 | M | 84.1 | Confident | 59.2 | Low | 71 Ų | 71 | 86.2 Ų | 86.2 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 135.6 | 173.1 | -63.1 | -72 | -51.2 | 0 | 0 | 109.3 | V690 Q692 | V690-M910 HydrophobicContact CB-CB 4.25Å; V690-M910 HydrophobicContact CB-CG 4.47Å; V690-M910 HydrophobicContact CG1-CB 4.34Å; V690-M910 HydrophobicContact CG1-CG 4.04Å; V690-M910 PolarHBondContact O-N 3.02Å; Q692-M910 HydrophobicContact CG-CG 4.36Å; Q692-M910 HydrophobicContact CG-SD 4.05Å |
| 911 | A | 73.6 | Confident | 57.9 | Low | 63 Ų | 63 | 86.3 Ų | 86.3 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 912 | F | 56.4 | Low | 55.9 | Low | 131 Ų | 131 | 91.4 Ų | 91.4 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 135.6 | 167.8 | -77.3 | -83.6 | 0 | 0 | 0 | 109.1 | T914 | F912-T914 PolarHBondContact O-N 3.47Š|
| 913 | P | 35 | Very low | 53.7 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | trans | -64.7 | 105.2 | 170.3 | 24.7 | -29.4 | 0 | 0 | 0 | 108.8 | V791 | V791-P913 HydrophobicContact CG1-CG 4.22Š| ||
| 914 | T | 35.1 | Very low | 51.2 | Low | 131 Ų | 131 | 98.7 Ų | 98.7 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 124.1 | 162.9 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | F912 S916 | F912-T914 PolarHBondContact O-N 3.47Å; T914-S916 PolarHBondContact O-N 3.37Å |
| 915 | E | 29.2 | Very low | 48.5 | Very low | 191 Ų | 191 | 104 Ų | 104 | 89% | 0.893 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.8 | 174.6 | -71.1 | 177.3 | 166 | 0 | 0 | 110 | S917 | E915-S917 PolarHBondContact O-N 2.83Š|
| 916 | S | 26.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 122.6 | -174.3 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | T914 T918 | T914-S916 PolarHBondContact O-N 3.37Å; S916-T918 PolarHBondContact O-N 3.38Å; S916-T918 VanDerWaalsContact O-N 3.16Å |
| 917 | S | 24.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -59.8 | 105 | 171.5 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | E915 | E915-S917 PolarHBondContact O-N 2.83Š| ||
| 918 | T | 29.9 | Very low | 39.4 | Very low | 134 Ų | 134 | 123 Ų | 123 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -90.6 | 121.8 | 153.1 | 39.6 | 0 | 0 | 0 | 0 | 109.1 | S916 | S916-T918 PolarHBondContact O-N 3.38Å; S916-T918 VanDerWaalsContact O-N 3.16Å | ||
| 919 | T | 23.3 | Very low | 36.4 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -46.8 | 125.4 | 175 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 920 | N | 26.2 | Very low | 33.5 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | -170.7 | 149.6 | 132.6 | -96.4 | -23.4 | 0 | 0 | 0 | 112.1 | ||||
| 921 | P | 30.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 136.4 | -159.7 | 35.3 | -30.2 | 0 | 0 | 0 | 113.2 | ||||
| 922 | F | 20.3 | Very low | 28.8 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | trans | 42.4 | 118.1 | 162.4 | -73.7 | -85 | 0 | 0 | 0 | 118.4 | ||||
| 923 | P | 23 | Very low | 27.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -139.9 | 151.1 | 77.2 | 33.6 | -16.6 | 0 | 0 | 0 | 115.9 | |||||
| 924 | K | 22.8 | Very low | 27.3 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | 23.4 | 137.6 | 162.9 | -71.6 | 177.5 | 178.9 | 174.3 | 0 | 121.5 | D926 | K924-D926 PolarHBondContact O-N 3.25Š| ||
| 925 | P | 24.7 | Very low | 27.1 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -79.4 | 103.7 | -170.9 | 32.7 | -32.5 | 0 | 0 | 0 | 111.9 | S927 | P925-S927 PolarHBondContact O-N 2.81Š| ||
| 926 | D | 23.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -66.7 | 129.1 | 159.8 | -82.5 | -35.1 | 0 | 0 | 0 | 110 | K924 I928 | K924-D926 PolarHBondContact O-N 3.25Å; D926-I928 PolarHBondContact O-N 3.36Å | ||
| 927 | S | 29.8 | Very low | 27.8 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -70.3 | 82.7 | -173.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | P925 | P925-S927 PolarHBondContact O-N 2.81Š|
| 928 | I | 25.9 | Very low | 28 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 82% | 0.821 | 71% | 0.705 | S | S | * | * | trans | -123.6 | 63.3 | 160 | -51.5 | 177.8 | 0 | 0 | 0 | 107 | D926 S930 | D926-I928 PolarHBondContact O-N 3.36Å; I928-S930 PolarHBondContact O-N 3.45Å | ||
| 929 | R | 27.8 | Very low | 28 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | trans | -76.4 | 105.7 | 169.9 | -96.9 | -176.5 | 172.9 | -169.7 | -6.4 | 108 | S931 | R929-S931 PolarHBondContact O-N 2.93Š| ||
| 930 | S | 30.3 | Very low | 28.2 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -54.1 | 124.1 | 170.6 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | I928 G932 | I928-S930 PolarHBondContact O-N 3.45Å; S930-G932 PolarHBondContact O-N 3.42Å | ||
| 931 | S | 28.6 | Very low | 28.2 | Very low | 130 Ų | 130 | 121 Ų | 121 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | trans | -70.8 | 69.6 | 174.3 | 44.3 | 0 | 0 | 0 | 0 | 110.3 | R929 | R929-S931 PolarHBondContact O-N 2.93Š| ||
| 932 | G | 30.4 | Very low | 28 | Very low | 35 Ų | 35 | 123.4 Ų | 123.4 | 36% | 0.361 | 67% | 0.674 | S | S | . | * | trans | -87.8 | 134.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S930 L934 N935 W936 | S930-G932 PolarHBondContact O-N 3.42Å; G932-L934 PolarHBondContact O-N 3.08Å; G932-N935 WeakPolarHBondContact O-CB 3.39Å; G932-N935 PolarHBondContact O-N 2.83Å; G932-W936 PolarHBondContact O-N 2.97Å | ||
| 933 | A | 29.7 | Very low | 28.1 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -50.4 | -24.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W936 F937 | A933-W936 PolarHBondContact O-N 3.28Å; A933-F937 PolarHBondContact O-N 3.23Å |
| 934 | L | 30.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 173.8 | -157.2 | 85.4 | 0 | 0 | 0 | 112.6 | G932 W936 F937 L938 L1017 | G932-L934 PolarHBondContact O-N 3.08Å; L934-W936 VanDerWaalsContact C-N 3.31Å; L934-F937 PolarHBondContact O-N 2.94Å; L934-L938 WeakPolarHBondContact O-CG 3.45Å; L934-L938 PolarHBondContact O-N 3.39Å; L934-L1017 HydrophobicContact CD1-CD2 3.78Å |
| 935 | N | 31.6 | Very low | 28.6 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 37% | 0.369 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -74.3 | -25.7 | 178.1 | -118.3 | -32.9 | 0 | 0 | 0 | 111.9 | G932 R939 | G932-N935 WeakPolarHBondContact O-CB 3.39Å; G932-N935 PolarHBondContact O-N 2.83Å; N935-R939 WeakPolarHBondContact O-CG 3.46Å |
| 936 | W | 38.1 | Very low | 28.7 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 60% | 0.602 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.7 | -42 | 169.3 | -173.8 | 85.2 | 0 | 0 | 0 | 111 | G932 A933 L934 R939 S940 | G932-W936 PolarHBondContact O-N 2.97Å; A933-W936 PolarHBondContact O-N 3.28Å; L934-W936 VanDerWaalsContact C-N 3.31Å; W936-R939 CarbonylContact O-C 3.24Å; W936-R939 PolarHBondContact O-N 2.95Å; W936-R939 VanDerWaalsContact O-N 3.16Å; W936-S940 WeakPolarHBondContact O-CB 3.49Å; W936-S940 PolarHBondContact O-N 3.42Å; W936-S940 PolarHBondContact O-OG 2.83Å |
| 937 | F | 30.9 | Very low | 28.7 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 36% | 0.36 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.2 | -43.4 | 178 | -170.5 | -98.7 | 0 | 0 | 0 | 113 | A933 L934 R939 S940 | A933-F937 PolarHBondContact O-N 3.23Å; L934-F937 PolarHBondContact O-N 2.94Å; F937-R939 PolarHBondContact O-N 2.98Å; F937-R939 VanDerWaalsContact O-N 3.16Å; F937-S940 PolarHBondContact O-N 2.88Å |
| 938 | L | 30.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 118 Ų | 118 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -20.4 | 174.5 | -70.3 | 173.5 | 0 | 0 | 0 | 113.4 | L934 | L934-L938 WeakPolarHBondContact O-CG 3.45Å; L934-L938 PolarHBondContact O-N 3.39Å |
| 939 | R | 28.4 | Very low | 28.2 | Very low | 175 Ų | 175 | 115.8 Ų | 115.8 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -13.3 | 172.4 | -71.3 | -178 | -171.8 | -113.7 | 17.9 | 113.8 | N935 W936 F937 G941 | N935-R939 WeakPolarHBondContact O-CG 3.46Å; W936-R939 CarbonylContact O-C 3.24Å; W936-R939 PolarHBondContact O-N 2.95Å; W936-R939 VanDerWaalsContact O-N 3.16Å; F937-R939 PolarHBondContact O-N 2.98Å; F937-R939 VanDerWaalsContact O-N 3.16Å; R939-G941 PolarHBondContact O-N 3.46Å |
| 940 | S | 27.8 | Very low | 27.9 | Very low | 37 Ų | 37 | 118 Ų | 118 | 26% | 0.259 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -82.9 | 58.5 | -176.5 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | W936 F937 L942 | W936-S940 WeakPolarHBondContact O-CB 3.49Å; W936-S940 PolarHBondContact O-N 3.42Å; W936-S940 PolarHBondContact O-OG 2.83Å; F937-S940 PolarHBondContact O-N 2.88Å; S940-L942 VanDerWaalsContact C-N 3.29Å; S940-L942 PolarHBondContact O-N 2.67Å |
| 941 | G | 26.5 | Very low | 27.6 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | trans | 51.3 | 19.6 | 130.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | R939 Q943 | R939-G941 PolarHBondContact O-N 3.46Å; G941-Q943 PolarHBondContact O-N 2.75Å; G941-Q943 VanDerWaalsContact O-N 3.13Å | ||
| 942 | L | 26.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 119 Ų | 119 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | -84.4 | 62 | 163.5 | -91.4 | 141.4 | 0 | 0 | 0 | 109.7 | S940 | S940-L942 VanDerWaalsContact C-N 3.29Å; S940-L942 PolarHBondContact O-N 2.67Å | ||
| 943 | Q | 23.9 | Very low | 26.8 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | trans | -95.2 | 108.1 | 155 | -82.8 | -179.3 | -10.9 | 0 | 0 | 106.4 | G941 P945 | G941-Q943 PolarHBondContact O-N 2.75Å; G941-Q943 VanDerWaalsContact O-N 3.13Å; Q943-P945 WeakPolarHBondContact O-CD 3.44Å | ||
| 944 | N | 24.3 | Very low | 26.5 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -60.9 | 120.6 | 169.2 | -154.8 | 7.9 | 0 | 0 | 0 | 107.5 | H946 | N944-H946 PolarHBondContact O-N 3.46Š| ||
| 945 | P | 31.8 | Very low | 26 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -70.9 | 2.6 | -168 | -19.8 | 32.2 | 0 | 0 | 0 | 116.5 | Q943 | Q943-P945 WeakPolarHBondContact O-CD 3.44Š|
| 946 | H | 26.5 | Very low | 25.5 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -131.9 | 62 | -179.7 | -69.3 | -69.8 | 0 | 0 | 0 | 112.4 | N944 | N944-H946 PolarHBondContact O-N 3.46Š|
| 947 | A | 23.9 | Very low | 24.7 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -164.6 | 97 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 948 | C | 22 | Very low | 24 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 144.3 | 69.3 | 152.7 | -87.5 | 0 | 0 | 0 | 0 | 111.2 | R950 | C948-R950 PolarHBondContact O-N 3.06Š| ||
| 949 | S | 23.2 | Very low | 23.6 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -59.7 | 117.3 | 142.7 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 950 | R | 21 | Very low | 23.1 | Very low | 234 Ų | 234 | 133.5 Ų | 133.5 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 47.4 | 98.2 | 153.6 | -59.9 | -179.2 | -165.5 | 172.3 | 4.9 | 116.6 | C948 | C948-R950 PolarHBondContact O-N 3.06Š| ||
| 951 | V | 24 | Very low | 22.9 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -112 | 116.6 | 142.2 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 952 | S | 22.4 | Very low | 22.6 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -61 | 141.1 | -172.1 | -36 | 0 | 0 | 0 | 0 | 112.3 | S954 | S952-S954 PolarHBondContact O-N 3.37Å; S952-S954 VanDerWaalsContact O-N 3.12Å | ||
| 953 | Q | 20.2 | Very low | 22.3 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 107 | 165.2 | -67.2 | 170.7 | -17.7 | 0 | 0 | 109.8 | F955 | Q953-F955 HydrophobicContact CB-CD2 4.42Š| ||
| 954 | S | 22.2 | Very low | 22.4 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -103.2 | 95 | 157.8 | 61.5 | 0 | 0 | 0 | 0 | 108.2 | S952 G956 | S952-S954 PolarHBondContact O-N 3.37Å; S952-S954 VanDerWaalsContact O-N 3.12Å; S954-G956 PolarHBondContact O-N 3.19Å | ||
| 955 | F | 19.9 | Very low | 22.4 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -66.7 | 111.7 | 162.4 | -86 | -92.5 | 0 | 0 | 0 | 108 | Q953 | Q953-F955 HydrophobicContact CB-CD2 4.42Š| ||
| 956 | G | 21.2 | Very low | 21.9 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | -151.2 | 100.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | S954 | S954-G956 PolarHBondContact O-N 3.19Š| ||
| 957 | Q | 21.1 | Very low | 21.8 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 73.2 | 96.8 | 149.9 | -64 | -177.1 | -5.8 | 0 | 0 | 119.7 | F959 | Q957-F959 PolarHBondContact O-N 3.26Š| ||
| 958 | T | 17.2 | Very low | 21.6 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -44.6 | 116.4 | 147.9 | -32 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 959 | F | 21.7 | Very low | 21.7 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -117.1 | 114.8 | 155.2 | -87.7 | -82 | 0 | 0 | 0 | 108.3 | Q957 | Q957-F959 PolarHBondContact O-N 3.26Š| ||
| 960 | S | 17.6 | Very low | 21.5 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -64.4 | 134.9 | 174 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | E962 | S960-E962 PolarHBondContact O-N 3.29Š| ||
| 961 | P | 24.4 | Very low | 21.5 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -86 | 112.4 | 170.5 | 31.3 | -26.2 | 0 | 0 | 0 | 109.2 | V963 | P961-V963 PolarHBondContact O-N 3.08Š| ||
| 962 | E | 20 | Very low | 21.6 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -63.3 | 124.3 | 164.4 | -89.7 | -177 | 151.9 | 0 | 0 | 109.8 | S960 N964 | S960-E962 PolarHBondContact O-N 3.29Å; E962-N964 PolarHBondContact O-N 3.15Å | ||
| 963 | V | 20.4 | Very low | 21.6 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -72.8 | 109.5 | 170.5 | 175 | 0 | 0 | 0 | 0 | 107.4 | P961 | P961-V963 PolarHBondContact O-N 3.08Š| ||
| 964 | N | 26.3 | Very low | 21.7 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -122.8 | 131.5 | 159.4 | -91 | -34.8 | 0 | 0 | 0 | 111 | E962 | E962-N964 PolarHBondContact O-N 3.15Š| ||
| 965 | S | 22.7 | Very low | 22.4 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 150.1 | -171.6 | 40.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 966 | S | 22.8 | Very low | 22.4 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 34 | 102.3 | 147.4 | 60.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 967 | G | 24.6 | Very low | 22.4 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -157.6 | 98.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 968 | R | 17.8 | Very low | 22.3 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 117 | 174 | -168.4 | -173.4 | -161.4 | -177.5 | 6.7 | 108.1 | ||||
| 969 | T | 25 | Very low | 22.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -130.6 | 122 | 165.6 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 970 | R | 19 | Very low | 22.4 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -80.6 | 138.5 | 167.2 | -80.6 | 176.2 | 166.9 | -171 | -3.5 | 108.9 | ||||
| 971 | G | 20.4 | Very low | 23.3 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 63.9 | 109.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 972 | L | 27.3 | Very low | 23.2 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -149.5 | 96.8 | 147.8 | -77.6 | 170.9 | 0 | 0 | 0 | 106.2 | ||||
| 973 | S | 21.3 | Very low | 23.3 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | 34.5 | 98.4 | 93.7 | 60.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 974 | A | 22.7 | Very low | 23.3 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 53.1 | 172.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 975 | P | 36.6 | Very low | 23.2 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | cis | -126.2 | -179.8 | -40.4 | 31.8 | -13.9 | 0 | 0 | 0 | 111.2 | ||||
| 976 | G | 20.4 | Very low | 23.1 | Very low | 63 Ų | 63 | 145.6 Ų | 145.6 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | trans | 141.4 | 117.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 977 | S | 21.2 | Very low | 23.2 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 62.5 | 110.1 | 138.1 | 55 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 978 | F | 19.7 | Very low | 23.1 | Very low | 200 Ų | 200 | 147 Ų | 147 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | 21.1 | 123.7 | 121.1 | -77.8 | -94.2 | 0 | 0 | 0 | 117.3 | |||||
| 979 | I | 23.3 | Very low | 23.5 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | 178 | 113.8 | 121.1 | -86.9 | 154.1 | 0 | 0 | 0 | 109.2 | |||||
| 980 | H | 18 | Very low | 23.4 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 150.3 | 139.2 | -162.4 | -88 | 0 | 0 | 0 | 105.6 | ||||
| 981 | P | 35.4 | Very low | 23.7 | Very low | 79 Ų | 79 | 142.3 Ų | 142.3 | 51% | 0.513 | 80% | 0.801 | S | S | . | * | cis | -131.8 | 173.2 | 18.5 | 30.2 | -9.5 | 0 | 0 | 0 | 114.3 | ||||
| 982 | Y | 23.3 | Very low | 23.8 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -153.3 | 126.8 | 133.7 | -108.6 | -77.4 | 0 | 0 | 0 | 111.8 | ||||
| 983 | F | 20.9 | Very low | 23.6 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -84.4 | 149.8 | 171.8 | -111.4 | -99.7 | 0 | 0 | 0 | 110.5 | ||||
| 984 | G | 20.8 | Very low | 23.7 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 151.1 | 114.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 985 | S | 24.5 | Very low | 23.7 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | -153.1 | 146.1 | 51.1 | -79.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 986 | R | 19.6 | Very low | 23 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 133.4 | 169.9 | -75.2 | 169.6 | 163.3 | -179 | -5.3 | 111.9 | ||||
| 987 | S | 24.9 | Very low | 23.2 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -154.2 | 117.7 | 135 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 988 | S | 23 | Very low | 23.2 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | 54.9 | 120.5 | 138.7 | -83.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 989 | V | 26.8 | Very low | 23.4 | Very low | 122 Ų | 122 | 152.3 Ų | 152.3 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | trans | 105.4 | 94.8 | 131.7 | -179.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 990 | K | 23.1 | Very low | 23.5 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | 59.6 | 133.9 | 125.6 | -69.8 | -179 | 172.8 | 174.8 | 0 | 121.7 | |||||
| 991 | K | 24.6 | Very low | 23.8 | Very low | 208 Ų | 208 | 147.9 Ų | 147.9 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | 76.6 | 113.9 | 164.5 | -65.3 | -178.1 | 177 | -178.5 | 0 | 113.4 | ||||
| 992 | G | 23.2 | Very low | 23.2 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | cis | 105.4 | 93 | 20.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 993 | K | 22.1 | Very low | 23.4 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 55.2 | 127.2 | 155.4 | -72.5 | 180 | 173.8 | 177.6 | 0 | 119 | ||
| 994 | K | 22.6 | Very low | 23.8 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 92% | 0.922 | 83% | 0.826 | S | S | * | * | trans | 77.8 | 80.4 | 162.1 | -68.1 | -174.4 | 172.1 | -174.6 | 0 | 117.1 | ||||
| 995 | A | 23.1 | Very low | 24.2 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -164.5 | 73.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 996 | A | 23.3 | Very low | 24.7 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -93.5 | 141.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 997 | V | 23.2 | Very low | 25.4 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 91 | 63.2 | -169.4 | -162.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 998 | T | 22.2 | Very low | 26 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -165.8 | 76.9 | 138.2 | -6.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 999 | E | 23.7 | Very low | 27.4 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -162.8 | 77.3 | 165.3 | -119.5 | -179.9 | -161.4 | 0 | 0 | 108.6 | ||||
| 1000 | L | 24.9 | Very low | 29 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 98% | 0.979 | 75% | 0.753 | S | S | * | * | trans | -110.6 | 58.6 | 154.2 | -112.7 | 146 | 0 | 0 | 0 | 106.4 | D1002 | L1000-D1002 PolarHBondContact O-N 3.16Š| ||
| 1001 | G | 24.3 | Very low | 31.1 | Very low | 58 Ų | 58 | 129.7 Ų | 129.7 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | trans | -74.1 | 120.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1003 | G1001-S1003 PolarHBondContact O-N 3.5Š| ||
| 1002 | D | 24.1 | Very low | 33.8 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | 9.7 | 69.7 | 156.5 | -70.2 | -30.7 | 0 | 0 | 0 | 116.9 | L1000 | L1000-D1002 PolarHBondContact O-N 3.16Š| ||
| 1003 | S | 25.8 | Very low | 36.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -99.8 | 75.6 | 167.5 | -165.9 | 0 | 0 | 0 | 0 | 109.5 | G1001 | G1001-S1003 PolarHBondContact O-N 3.5Š| ||
| 1004 | S | 30.5 | Very low | 39.7 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -129.3 | 19.1 | 164.6 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | L1006 | S1004-L1006 VanDerWaalsContact C-N 3.28Å; S1004-L1006 PolarHBondContact O-N 2.86Å; S1004-L1006 VanDerWaalsContact O-N 3.15Å | ||
| 1005 | V | 29 | Very low | 42.7 | Very low | 138 Ų | 138 | 108.7 Ų | 108.7 | 84% | 0.836 | 65% | 0.647 | S | S | * | * | trans | -81.9 | 83.4 | 162.5 | -174.3 | 0 | 0 | 0 | 0 | 107 | E1007 | V1005-E1007 PolarHBondContact O-N 3.43Š| ||
| 1006 | L | 34.1 | Very low | 45.7 | Very low | 113 Ų | 113 | 105 Ų | 105 | 59% | 0.592 | 61% | 0.614 | S | S | * | * | trans | -62.3 | 119 | 176.5 | -143.9 | 82.4 | 0 | 0 | 0 | 108.9 | S1004 L1009 | S1004-L1006 VanDerWaalsContact C-N 3.28Å; S1004-L1006 PolarHBondContact O-N 2.86Å; S1004-L1006 VanDerWaalsContact O-N 3.15Å; L1006-L1009 HydrophobicContact CD2-CD1 3.37Å; L1006-L1009 HydrophobicContact CD2-CG 4.04Å; L1006-L1009 HydrophobicContact CG-CD1 4.37Å | ||
| 1007 | E | 35.9 | Very low | 48.7 | Very low | 172 Ų | 172 | 102.8 Ų | 102.8 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | -48.7 | 142.8 | 173.2 | -83.7 | 178.4 | 137.3 | 0 | 0 | 111.8 | V1005 L1009 | V1005-E1007 PolarHBondContact O-N 3.43Å; E1007-L1009 WeakPolarHBondContact O-CG 3.21Å; E1007-L1009 PolarHBondContact O-N 3.13Å | ||
| 1008 | C | 36.3 | Very low | 51.9 | Low | 94 Ų | 94 | 97 Ų | 97 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | trans | -48.4 | 103 | -178.6 | -153.2 | 0 | 0 | 0 | 0 | 111.8 | S1010 | C1008-S1010 PolarHBondContact O-N 3.21Š| ||
| 1009 | L | 53.7 | Low | 55.1 | Low | 64 Ų | 64 | 90.7 Ų | 90.7 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | trans | -81.7 | -6.3 | -167.4 | -74.8 | 178.4 | 0 | 0 | 0 | 115 | P881 L1006 E1007 | P881-L1009 HydrophobicContact CG-CB 3.72Å; P881-L1009 HydrophobicContact CG-CD1 3.71Å; P881-L1009 HydrophobicContact CG-CD2 4.37Å; P881-L1009 HydrophobicContact CG-CG 4.17Å; L1006-L1009 HydrophobicContact CD2-CD1 3.37Å; L1006-L1009 HydrophobicContact CD2-CG 4.04Å; L1006-L1009 HydrophobicContact CG-CD1 4.37Å; E1007-L1009 WeakPolarHBondContact O-CG 3.21Å; E1007-L1009 PolarHBondContact O-N 3.13Å | ||
| 1010 | S | 60.2 | Low | 58 | Low | 14 Ų | 14 | 88 Ų | 88 | 10% | 0.098 | 50% | 0.495 | C | S | . | . | trans | -147.6 | 137.1 | -175.3 | 167 | 0 | 0 | 0 | 0 | 111.7 | P891 C1008 N1012 | P891-S1010 PolarHBondContact O-OG 3.04Å; C1008-S1010 PolarHBondContact O-N 3.21Å; S1010-N1012 VanDerWaalsContact C-N 3.27Å; S1010-N1012 PolarHBondContact O-N 2.73Å; S1010-N1012 PolarHBondContact OG-N 3.42Å; S1010-N1012 VanDerWaalsContact OG-N 3.08Å; S1010-N1012 PolarHBondContact OG-O 3.17Å | ||
| 1011 | T | 66.9 | Low | 61 | Low | 130 Ų | 130 | 79.4 Ų | 79.4 | 80% | 0.798 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -76 | -14.2 | 173.2 | 61.5 | 0 | 0 | 0 | 0 | 113 | P891 | P891-T1011 WeakPolarHBondContact CB-OG1 3.23Š|
| 1012 | N | 81.4 | Confident | 63.9 | Low | 35 Ų | 35 | 76.7 Ų | 76.7 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | trans | -93.3 | 116 | 177.3 | -168.9 | -40.4 | 0 | 0 | 0 | 110.4 | P891 D892 S1010 N1014 V1015 D1016 | P891-N1012 WeakPolarHBondContact O-CB 3.45Å; D892-N1012 PolarHBondContact OD1-ND2 2.72Å; S1010-N1012 VanDerWaalsContact C-N 3.27Å; S1010-N1012 PolarHBondContact O-N 2.73Å; S1010-N1012 PolarHBondContact OG-N 3.42Å; S1010-N1012 VanDerWaalsContact OG-N 3.08Å; S1010-N1012 PolarHBondContact OG-O 3.17Å; N1012-N1014 PolarHBondContact O-N 3.09Å; N1012-N1014 WeakPolarHBondContact OD1-CB 3.47Å; N1012-N1014 PolarHBondContact OD1-N 3.4Å; N1012-N1014 PolarHBondContact OD1-ND2 2.86Å; N1012-V1015 HydrophobicContact CB-CB 4.24Å; N1012-V1015 HydrophobicContact CB-CG2 4.1Å; N1012-V1015 PolarHBondContact O-N 3.22Å; N1012-V1015 VanDerWaalsContact O-N 3.13Å; N1012-D1016 PolarHBondContact O-N 3.32Å | ||
| 1013 | E | 82.9 | Confident | 66.7 | Low | 167 Ų | 167 | 72.8 Ų | 72.8 | 78% | 0.78 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.4 | -34.9 | -179.3 | -62.6 | -176.9 | 170.3 | 0 | 0 | 112.9 | L1017 | E1013-L1017 VanDerWaalsContact O-CB 3.32Å; E1013-L1017 WeakPolarHBondContact O-CB 3.47Å; E1013-L1017 PolarHBondContact O-N 3.34Å |
| 1014 | N | 84.9 | Confident | 69.3 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.3 | -38.4 | -179.7 | -62.3 | -69.5 | 0 | 0 | 0 | 111.7 | P909 N1012 W1018 | P909-N1014 HydrophobicContact CB-CB 3.8Å; N1012-N1014 PolarHBondContact O-N 3.09Å; N1012-N1014 WeakPolarHBondContact OD1-CB 3.47Å; N1012-N1014 PolarHBondContact OD1-N 3.4Å; N1012-N1014 PolarHBondContact OD1-ND2 2.86Å; N1014-W1018 VanDerWaalsContact O-CD1 3.28Å; N1014-W1018 PolarHBondContact O-N 3.49Å; N1014-W1018 VanDerWaalsContact O-N 3.17Å |
| 1015 | V | 87 | Confident | 71.7 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | P891 D892 F894 P909 N1012 W1018 L1019 | P891-V1015 WeakPolarHBondContact O-CG2 3.37Å; D892-V1015 VanDerWaalsContact C-CG2 3.43Å; F894-V1015 HydrophobicContact CB-CG1 4.22Å; F894-V1015 HydrophobicContact CD1-CG1 4.31Å; P909-V1015 HydrophobicContact CG-CG2 4.18Å; N1012-V1015 HydrophobicContact CB-CB 4.24Å; N1012-V1015 HydrophobicContact CB-CG2 4.1Å; N1012-V1015 PolarHBondContact O-N 3.22Å; N1012-V1015 VanDerWaalsContact O-N 3.13Å; V1015-W1018 PolarHBondContact O-N 3.06Å; V1015-L1019 HydrophobicContact CG1-CD1 4.02Å; V1015-L1019 WeakPolarHBondContact O-CG 3.45Å; V1015-L1019 PolarHBondContact O-N 3.25Å |
| 1016 | D | 85.2 | Confident | 74 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.2 | -171.3 | 45.5 | 0 | 0 | 0 | 111.5 | N1012 W1018 L1019 R1020 | N1012-D1016 PolarHBondContact O-N 3.32Å; D1016-W1018 PolarHBondContact O-N 3.24Å; D1016-L1019 PolarHBondContact O-N 2.94Å; D1016-R1020 WeakPolarHBondContact O-CB 3.43Å; D1016-R1020 VanDerWaalsContact O-CG 3.32Å; D1016-R1020 WeakPolarHBondContact O-CG 3.38Å; D1016-R1020 PolarHBondContact O-N 3.48Å; D1016-R1020 IonicContact OD1-NE 2.71Å; D1016-R1020 PolarHBondContact OD1-NE 2.86Å; D1016-R1020 IonicContact OD1-NH2 3.74Å; D1016-R1020 IonicContact OD2-CZ 3.95Å; D1016-R1020 IonicContact OD2-NE 3.02Å; D1016-R1020 PolarHBondContact OD2-NE 2.87Å; D1016-R1020 IonicContact OD2-NH2 3.64Å; D1016-R1020 PolarHBondContact OD2-NH2 3.37Å |
| 1017 | L | 87.1 | Confident | 75.9 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 174.2 | 178.7 | 64.9 | 0 | 0 | 0 | 112.1 | L934 E1013 R1020 C1021 | L934-L1017 HydrophobicContact CD1-CD2 3.78Å; E1013-L1017 VanDerWaalsContact O-CB 3.32Å; E1013-L1017 WeakPolarHBondContact O-CB 3.47Å; E1013-L1017 PolarHBondContact O-N 3.34Å; L1017-R1020 PolarHBondContact O-N 2.74Å; L1017-C1021 WeakPolarHBondContact O-CB 3.42Å; L1017-C1021 PolarHBondContact O-N 3.15Å; L1017-C1021 PolarHBondContact O-SG 3.29Å |
| 1018 | W | 90.8 | Very high | 77.8 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.7 | -88.6 | 86.2 | 0 | 0 | 0 | 112.1 | V691 A767 L769 M780 F894 P909 N1014 V1015 D1016 C1021 I1022 | V691-W1018 HydrophobicContact CG1-CH2 4.44Å; V691-W1018 HydrophobicContact CG1-CZ2 3.9Å; A767-W1018 HydrophobicContact CB-CH2 3.48Å; A767-W1018 VanDerWaalsContact CB-CH2 3.48Å; A767-W1018 HydrophobicContact CB-CZ2 4.06Å; A767-W1018 HydrophobicContact CB-CZ3 4.25Å; L769-W1018 HydrophobicContact CB-CZ3 4.25Å; M780-W1018 HydrophobicContact CE-CE3 4.2Å; M780-W1018 HydrophobicContact CE-CZ3 3.77Å; M780-W1018 HydrophobicContact SD-CZ3 4.49Å; F894-W1018 HydrophobicContact CD1-CB 4.34Å; F894-W1018 HydrophobicContact CE1-CB 3.69Å; F894-W1018 HydrophobicContact CE1-CD2 4.44Å; F894-W1018 HydrophobicContact CE1-CG 4.05Å; F894-W1018 HydrophobicContact CZ-CB 4.1Å; F894-W1018 HydrophobicContact CZ-CD2 4.36Å; F894-W1018 HydrophobicContact CZ-CE3 4.15Å; F894-W1018 HydrophobicContact CZ-CG 4.37Å; P909-W1018 HydrophobicContact CG-CB 4.41Å; P909-W1018 HydrophobicContact CG-CG 3.99Å; N1014-W1018 VanDerWaalsContact O-CD1 3.28Å; N1014-W1018 PolarHBondContact O-N 3.49Å; N1014-W1018 VanDerWaalsContact O-N 3.17Å; V1015-W1018 PolarHBondContact O-N 3.06Å; D1016-W1018 PolarHBondContact O-N 3.24Å; W1018-C1021 PolarHBondContact O-N 3.17Å; W1018-I1022 VanDerWaalsContact O-CG1 3.3Å; W1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; W1018-I1022 PolarHBondContact O-N 3.27Å |
| 1019 | L | 88.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 177.3 | -77.6 | 172.6 | 0 | 0 | 0 | 111.7 | A879 P881 F894 V1015 D1016 C1021 I1022 Q1023 | A879-L1019 HydrophobicContact CB-CD2 4.16Å; P881-L1019 HydrophobicContact CG-CD1 4.38Å; F894-L1019 HydrophobicContact CB-CD1 4.32Å; F894-L1019 HydrophobicContact CB-CD2 3.81Å; F894-L1019 HydrophobicContact CB-CG 4.05Å; F894-L1019 HydrophobicContact CD2-CD2 4.46Å; F894-L1019 HydrophobicContact CG-CD2 4.26Å; F894-L1019 HydrophobicContact CG-CG 4.47Å; V1015-L1019 HydrophobicContact CG1-CD1 4.02Å; V1015-L1019 WeakPolarHBondContact O-CG 3.45Å; V1015-L1019 PolarHBondContact O-N 3.25Å; D1016-L1019 PolarHBondContact O-N 2.94Å; L1019-C1021 VanDerWaalsContact C-N 3.35Å; L1019-C1021 PolarHBondContact O-N 3.46Å; L1019-I1022 PolarHBondContact O-N 3.33Å; L1019-Q1023 WeakPolarHBondContact O-CB 3.21Å; L1019-Q1023 VanDerWaalsContact O-CG 3.31Å; L1019-Q1023 WeakPolarHBondContact O-CG 3.45Å; L1019-Q1023 PolarHBondContact O-N 3.35Å |
| 1020 | R | 85.1 | Confident | 80.4 | Confident | 140 Ų | 140 | 50.5 Ų | 50.5 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.7 | -71.2 | -178.8 | -168.8 | -163.4 | 6.8 | 112.1 | D1016 L1017 Q1023 S1024 | D1016-R1020 WeakPolarHBondContact O-CB 3.43Å; D1016-R1020 VanDerWaalsContact O-CG 3.32Å; D1016-R1020 WeakPolarHBondContact O-CG 3.38Å; D1016-R1020 PolarHBondContact O-N 3.48Å; D1016-R1020 IonicContact OD1-NE 2.71Å; D1016-R1020 PolarHBondContact OD1-NE 2.86Å; D1016-R1020 IonicContact OD1-NH2 3.74Å; D1016-R1020 IonicContact OD2-CZ 3.95Å; D1016-R1020 IonicContact OD2-NE 3.02Å; D1016-R1020 PolarHBondContact OD2-NE 2.87Å; D1016-R1020 IonicContact OD2-NH2 3.64Å; D1016-R1020 PolarHBondContact OD2-NH2 3.37Å; L1017-R1020 PolarHBondContact O-N 2.74Å; R1020-Q1023 PolarHBondContact O-N 3.17Å; R1020-S1024 VanDerWaalsContact O-CB 3.23Å; R1020-S1024 WeakPolarHBondContact O-CB 3.43Å; R1020-S1024 PolarHBondContact O-N 3.42Å |
| 1021 | C | 87.8 | Confident | 81 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 175.8 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | V686 C687 L769 L1017 W1018 L1019 S1024 V1025 | V686-C1021 HydrophobicContact CG1-CB 4.09Å; C687-C1021 HydrophobicContact CB-CB 4.13Å; L769-C1021 HydrophobicContact CD2-CB 3.89Å; L1017-C1021 WeakPolarHBondContact O-CB 3.42Å; L1017-C1021 PolarHBondContact O-N 3.15Å; L1017-C1021 PolarHBondContact O-SG 3.29Å; W1018-C1021 PolarHBondContact O-N 3.17Å; L1019-C1021 VanDerWaalsContact C-N 3.35Å; L1019-C1021 PolarHBondContact O-N 3.46Å; C1021-S1024 PolarHBondContact O-N 2.92Å; C1021-V1025 VanDerWaalsContact O-CG2 3.25Å; C1021-V1025 WeakPolarHBondContact O-CG2 3.22Å; C1021-V1025 PolarHBondContact O-N 3.27Å; C1021-V1025 VanDerWaalsContact O-N 3.08Å |
| 1022 | I | 86.2 | Confident | 81 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.7 | -66.8 | 164.6 | 0 | 0 | 0 | 110.6 | L769 A879 F894 W1018 L1019 S1024 V1025 M1026 | L769-I1022 HydrophobicContact CD2-CG1 4.1Å; A879-I1022 HydrophobicContact CB-CG2 3.81Å; F894-I1022 HydrophobicContact CD2-CD1 4.49Å; F894-I1022 HydrophobicContact CE2-CD1 3.84Å; F894-I1022 HydrophobicContact CZ-CD1 4.3Å; W1018-I1022 VanDerWaalsContact O-CG1 3.3Å; W1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; W1018-I1022 PolarHBondContact O-N 3.27Å; L1019-I1022 PolarHBondContact O-N 3.33Å; I1022-S1024 PolarHBondContact O-N 3.1Å; I1022-V1025 PolarHBondContact O-N 2.74Å; I1022-M1026 HydrophobicContact CG2-CG 4.45Å; I1022-M1026 HydrophobicContact CG2-SD 4.02Å; I1022-M1026 WeakPolarHBondContact O-CG 3.48Å; I1022-M1026 PolarHBondContact O-N 2.91Å |
| 1023 | Q | 81 | Confident | 80 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.8 | -72.9 | 173.2 | -17.6 | 0 | 0 | 112.4 | L1019 R1020 V1025 M1026 G1027 | L1019-Q1023 WeakPolarHBondContact O-CB 3.21Å; L1019-Q1023 VanDerWaalsContact O-CG 3.31Å; L1019-Q1023 WeakPolarHBondContact O-CG 3.45Å; L1019-Q1023 PolarHBondContact O-N 3.35Å; R1020-Q1023 PolarHBondContact O-N 3.17Å; Q1023-V1025 VanDerWaalsContact C-N 3.31Å; Q1023-V1025 PolarHBondContact O-N 2.72Å; Q1023-M1026 PolarHBondContact O-N 3.35Å; Q1023-G1027 PolarHBondContact O-N 2.88Å |
| 1024 | S | 80.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | R1020 C1021 I1022 G1027 Q1028 | R1020-S1024 VanDerWaalsContact O-CB 3.23Å; R1020-S1024 WeakPolarHBondContact O-CB 3.43Å; R1020-S1024 PolarHBondContact O-N 3.42Å; C1021-S1024 PolarHBondContact O-N 2.92Å; I1022-S1024 PolarHBondContact O-N 3.1Å; S1024-G1027 PolarHBondContact O-N 3.42Å; S1024-Q1028 WeakPolarHBondContact O-CG 3.37Å; S1024-Q1028 PolarHBondContact O-N 3.26Å; S1024-Q1028 PolarHBondContact O-NE2 3.17Å; S1024-Q1028 PolarHBondContact OG-NE2 2.92Å |
| 1025 | V | 81.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V686 L769 M771 A778 C1021 I1022 Q1023 G1027 Q1028 I1029 | V686-V1025 HydrophobicContact CB-CG2 4.2Å; V686-V1025 HydrophobicContact CG1-CG2 3.8Å; V686-V1025 HydrophobicContact CG2-CG2 3.74Å; L769-V1025 HydrophobicContact CD2-CG2 4.15Å; M771-V1025 HydrophobicContact CG-CB 4.42Å; M771-V1025 HydrophobicContact CG-CG1 3.69Å; M771-V1025 HydrophobicContact CG-CG2 3.94Å; M771-V1025 HydrophobicContact SD-CB 4.36Å; M771-V1025 HydrophobicContact SD-CG1 4.1Å; M771-V1025 HydrophobicContact SD-CG2 3.81Å; A778-V1025 HydrophobicContact CB-CG1 3.29Å; C1021-V1025 VanDerWaalsContact O-CG2 3.25Å; C1021-V1025 WeakPolarHBondContact O-CG2 3.22Å; C1021-V1025 PolarHBondContact O-N 3.27Å; C1021-V1025 VanDerWaalsContact O-N 3.08Å; I1022-V1025 PolarHBondContact O-N 2.74Å; Q1023-V1025 VanDerWaalsContact C-N 3.31Å; Q1023-V1025 PolarHBondContact O-N 2.72Å; V1025-G1027 VanDerWaalsContact C-N 3.31Å; V1025-G1027 PolarHBondContact O-N 3.04Å; V1025-Q1028 PolarHBondContact O-N 3.21Å; V1025-I1029 HydrophobicContact CG1-CD1 3.77Å; V1025-I1029 WeakPolarHBondContact O-CD1 3.27Å; V1025-I1029 VanDerWaalsContact O-CG1 3.32Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.17Å; V1025-I1029 PolarHBondContact O-N 3.16Å |
| 1026 | M | 78.2 | Confident | 76.9 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.3 | -72.1 | 179.2 | 62 | 0 | 0 | 112.2 | A876 A877 I1022 Q1023 I1029 Y1030 | A876-M1026 HydrophobicContact CB-CE 4.06Å; A877-M1026 VanDerWaalsContact O-CE 3.3Å; A877-M1026 WeakPolarHBondContact O-CE 3.41Å; I1022-M1026 HydrophobicContact CG2-CG 4.45Å; I1022-M1026 HydrophobicContact CG2-SD 4.02Å; I1022-M1026 WeakPolarHBondContact O-CG 3.48Å; I1022-M1026 PolarHBondContact O-N 2.91Å; Q1023-M1026 PolarHBondContact O-N 3.35Å; M1026-I1029 PolarHBondContact O-N 3.13Å; M1026-Y1030 WeakPolarHBondContact O-CB 3.23Å; M1026-Y1030 PolarHBondContact O-N 3.46Å |
| 1027 | G | 73.6 | Confident | 75.5 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1023 S1024 V1025 K1031 | Q1023-G1027 PolarHBondContact O-N 2.88Å; S1024-G1027 PolarHBondContact O-N 3.42Å; V1025-G1027 VanDerWaalsContact C-N 3.31Å; V1025-G1027 PolarHBondContact O-N 3.04Å; G1027-K1031 WeakPolarHBondContact O-CB 3.36Å; G1027-K1031 WeakPolarHBondContact O-CG 3.49Å; G1027-K1031 PolarHBondContact O-N 2.83Å |
| 1028 | Q | 75 | Confident | 73.7 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 174.6 | -78.2 | 176.3 | 69.1 | 0 | 0 | 111.9 | M771 S1024 V1025 K1031 A1032 | M771-Q1028 HydrophobicContact CE-CB 4.25Å; S1024-Q1028 WeakPolarHBondContact O-CG 3.37Å; S1024-Q1028 PolarHBondContact O-N 3.26Å; S1024-Q1028 PolarHBondContact O-NE2 3.17Å; S1024-Q1028 PolarHBondContact OG-NE2 2.92Å; V1025-Q1028 PolarHBondContact O-N 3.21Å; Q1028-K1031 PolarHBondContact O-N 3.02Å; Q1028-A1032 WeakPolarHBondContact O-CB 3.46Å; Q1028-A1032 PolarHBondContact O-N 3.21Å |
| 1029 | I | 74.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.4 | -65.7 | 159.7 | 0 | 0 | 0 | 110.8 | G775 L776 A778 F807 V1025 M1026 K1031 A1032 C1033 | G775-I1029 WeakPolarHBondContact O-CA 3.37Å; G775-I1029 WeakPolarHBondContact O-CG1 3.43Å; L776-I1029 WeakPolarHBondContact O-CG2 3.5Å; A778-I1029 HydrophobicContact CB-CD1 3.68Å; F807-I1029 HydrophobicContact CB-CD1 3.92Å; F807-I1029 HydrophobicContact CB-CG2 4.26Å; F807-I1029 HydrophobicContact CD1-CG2 3.31Å; F807-I1029 HydrophobicContact CD2-CG2 3.84Å; F807-I1029 HydrophobicContact CE1-CG2 3.3Å; F807-I1029 HydrophobicContact CE2-CG2 3.84Å; F807-I1029 HydrophobicContact CG-CD1 4.39Å; F807-I1029 HydrophobicContact CG-CG2 3.55Å; F807-I1029 HydrophobicContact CZ-CG2 3.54Å; V1025-I1029 HydrophobicContact CG1-CD1 3.77Å; V1025-I1029 WeakPolarHBondContact O-CD1 3.27Å; V1025-I1029 VanDerWaalsContact O-CG1 3.32Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.17Å; V1025-I1029 PolarHBondContact O-N 3.16Å; M1026-I1029 PolarHBondContact O-N 3.13Å; I1029-K1031 PolarHBondContact O-N 2.93Å; I1029-A1032 PolarHBondContact O-N 3.43Å; I1029-A1032 VanDerWaalsContact O-N 3.17Å; I1029-C1033 PolarHBondContact O-N 3.43Å; I1029-C1033 PolarHBondContact O-SG 3.38Å |
| 1030 | Y | 71.1 | Confident | 68.7 | Low | 131 Ų | 131 | 68.3 Ų | 68.3 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.7 | -178.5 | -103.3 | 0 | 0 | 0 | 111.8 | M1026 A1032 C1033 L1034 | M1026-Y1030 WeakPolarHBondContact O-CB 3.23Å; M1026-Y1030 PolarHBondContact O-N 3.46Å; Y1030-A1032 VanDerWaalsContact C-N 3.33Å; Y1030-A1032 PolarHBondContact O-N 3.41Å; Y1030-C1033 PolarHBondContact O-N 3.21Å; Y1030-L1034 HydrophobicContact CD1-CD1 3.87Å; Y1030-L1034 HydrophobicContact CD1-CG 4.42Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.32Å; Y1030-L1034 HydrophobicContact CE1-CG 4.05Å; Y1030-L1034 WeakPolarHBondContact O-CG 3.38Å; Y1030-L1034 PolarHBondContact O-N 3.05Å |
| 1031 | K | 71.4 | Confident | 66.3 | Low | 137 Ų | 137 | 71.1 Ų | 71.1 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 174.7 | -73.1 | 179.5 | -179.7 | -171.8 | 0 | 113 | G1027 Q1028 I1029 R1035 | G1027-K1031 WeakPolarHBondContact O-CB 3.36Å; G1027-K1031 WeakPolarHBondContact O-CG 3.49Å; G1027-K1031 PolarHBondContact O-N 2.83Å; Q1028-K1031 PolarHBondContact O-N 3.02Å; I1029-K1031 PolarHBondContact O-N 2.93Å; K1031-R1035 WeakPolarHBondContact O-CG 3.19Å; K1031-R1035 PolarHBondContact O-N 3.48Å; K1031-R1035 PolarHBondContact O-NE 3.21Å |
| 1032 | A | 68.2 | Low | 63.5 | Low | 10 Ų | 10 | 75.8 Ų | 75.8 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L776 Q1028 I1029 Y1030 R1035 Q1036 | L776-A1032 HydrophobicContact CD2-CB 3.74Å; Q1028-A1032 WeakPolarHBondContact O-CB 3.46Å; Q1028-A1032 PolarHBondContact O-N 3.21Å; I1029-A1032 PolarHBondContact O-N 3.43Å; I1029-A1032 VanDerWaalsContact O-N 3.17Å; Y1030-A1032 VanDerWaalsContact C-N 3.33Å; Y1030-A1032 PolarHBondContact O-N 3.41Å; A1032-R1035 PolarHBondContact O-N 3.28Å; A1032-Q1036 PolarHBondContact O-N 3.45Å; A1032-Q1036 VanDerWaalsContact O-N 3.07Å |
| 1033 | C | 61 | Low | 60.8 | Low | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.034 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.3 | -65 | 0 | 0 | 0 | 0 | 111.8 | F874 I1029 Y1030 R1035 Q1036 I1037 | F874-C1033 HydrophobicContact CE1-CB 3.84Å; F874-C1033 HydrophobicContact CZ-CB 3.63Å; I1029-C1033 PolarHBondContact O-N 3.43Å; I1029-C1033 PolarHBondContact O-SG 3.38Å; Y1030-C1033 PolarHBondContact O-N 3.21Å; C1033-R1035 VanDerWaalsContact C-N 3.33Å; C1033-R1035 PolarHBondContact O-N 3.09Å; C1033-Q1036 PolarHBondContact O-N 2.94Å; C1033-Q1036 VanDerWaalsContact O-N 3.14Å; C1033-I1037 WeakPolarHBondContact O-CG1 3.38Å; C1033-I1037 PolarHBondContact O-N 3.29Å |
| 1034 | L | 64.6 | Low | 58.3 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.346 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 173.2 | -78 | -179.8 | 0 | 0 | 0 | 111.7 | Y1030 Q1036 I1037 V1038 | Y1030-L1034 HydrophobicContact CD1-CD1 3.87Å; Y1030-L1034 HydrophobicContact CD1-CG 4.42Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.32Å; Y1030-L1034 HydrophobicContact CE1-CG 4.05Å; Y1030-L1034 WeakPolarHBondContact O-CG 3.38Å; Y1030-L1034 PolarHBondContact O-N 3.05Å; L1034-Q1036 VanDerWaalsContact C-N 3.27Å; L1034-Q1036 PolarHBondContact O-N 3.29Å; L1034-I1037 PolarHBondContact O-N 3.47Å; L1034-V1038 WeakPolarHBondContact O-CB 3.34Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.42Å; L1034-V1038 PolarHBondContact O-N 3.41Å |
| 1035 | R | 63.4 | Low | 55.8 | Low | 179 Ų | 179 | 89 Ų | 89 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.3 | -34.5 | 175 | -79.8 | -175.1 | -78.2 | 179 | -1 | 112.9 | K1031 A1032 C1033 S1039 | K1031-R1035 WeakPolarHBondContact O-CG 3.19Å; K1031-R1035 PolarHBondContact O-N 3.48Å; K1031-R1035 PolarHBondContact O-NE 3.21Å; A1032-R1035 PolarHBondContact O-N 3.28Å; C1033-R1035 VanDerWaalsContact C-N 3.33Å; C1033-R1035 PolarHBondContact O-N 3.09Å; R1035-S1039 WeakPolarHBondContact O-CB 3.37Å; R1035-S1039 PolarHBondContact O-N 3.32Å |
| 1036 | Q | 60.3 | Low | 53.3 | Low | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.2 | -36.8 | 175.2 | -72.8 | -170.4 | -15.4 | 0 | 0 | 113.1 | L776 A1032 C1033 L1034 | L776-Q1036 VanDerWaalsContact CD1-NE2 3.3Å; A1032-Q1036 PolarHBondContact O-N 3.45Å; A1032-Q1036 VanDerWaalsContact O-N 3.07Å; C1033-Q1036 PolarHBondContact O-N 2.94Å; C1033-Q1036 VanDerWaalsContact O-N 3.14Å; L1034-Q1036 VanDerWaalsContact C-N 3.27Å; L1034-Q1036 PolarHBondContact O-N 3.29Å |
| 1037 | I | 55.2 | Low | 51 | Low | 103 Ų | 103 | 100.9 Ų | 100.9 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 177 | -65.4 | 166.3 | 0 | 0 | 0 | 110.9 | F874 C1033 L1034 S1039 | F874-I1037 HydrophobicContact CZ-CD1 3.98Å; C1033-I1037 WeakPolarHBondContact O-CG1 3.38Å; C1033-I1037 PolarHBondContact O-N 3.29Å; L1034-I1037 PolarHBondContact O-N 3.47Å; I1037-S1039 VanDerWaalsContact C-N 3.34Å |
| 1038 | V | 50.9 | Low | 48.9 | Very low | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.9 | -15.4 | -178 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | L1034 P1040 | L1034-V1038 WeakPolarHBondContact O-CB 3.34Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.42Å; L1034-V1038 PolarHBondContact O-N 3.41Å; V1038-P1040 WeakPolarHBondContact O-CD 3.43Å; V1038-P1040 WeakPolarHBondContact O-CG 3.39Å |
| 1039 | S | 37.1 | Very low | 46.7 | Very low | 88 Ų | 88 | 107.9 Ų | 107.9 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | -77.6 | 93.6 | 168.1 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | R1035 I1037 | R1035-S1039 WeakPolarHBondContact O-CB 3.37Å; R1035-S1039 PolarHBondContact O-N 3.32Å; I1037-S1039 VanDerWaalsContact C-N 3.34Å | ||
| 1040 | P | 36.7 | Very low | 44.7 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | trans | -85.2 | 164.7 | 179.4 | 7.5 | 18.6 | 0 | 0 | 0 | 106.8 | V1038 C1042 | V1038-P1040 WeakPolarHBondContact O-CD 3.43Å; V1038-P1040 WeakPolarHBondContact O-CG 3.39Å; P1040-C1042 PolarHBondContact O-N 3.37Å | ||
| 1041 | H | 34.3 | Very low | 43.4 | Very low | 199 Ų | 199 | 118.8 Ų | 118.8 | 92% | 0.921 | 64% | 0.641 | S | S | * | * | trans | -56 | 82 | 157.1 | -71.8 | -35.6 | 0 | 0 | 0 | 110.6 | T1043 | H1041-T1043 VanDerWaalsContact C-N 3.34Å; H1041-T1043 PolarHBondContact O-N 3.4Å | ||
| 1042 | C | 28.7 | Very low | 41.9 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 70% | 0.703 | 64% | 0.643 | S | S | * | * | trans | -85 | 85.6 | 163.4 | -96.2 | 0 | 0 | 0 | 0 | 108.2 | P1040 | P1040-C1042 PolarHBondContact O-N 3.37Š| ||
| 1043 | T | 29.7 | Very low | 40.4 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | trans | 52.2 | 85.2 | 141.9 | 53.6 | 0 | 0 | 0 | 0 | 117.5 | H1041 Q1045 | H1041-T1043 VanDerWaalsContact C-N 3.34Å; H1041-T1043 PolarHBondContact O-N 3.4Å; T1043-Q1045 PolarHBondContact O-N 3.4Å | ||
| 1044 | T | 28.3 | Very low | 39.2 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | -64 | 89.4 | 127.4 | 38.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1045 | Q | 28.2 | Very low | 37.6 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | trans | -129.2 | 95.5 | 150.9 | -82.8 | -166.8 | 2.6 | 0 | 0 | 108.4 | T1043 K1047 | T1043-Q1045 PolarHBondContact O-N 3.4Å; Q1045-K1047 PolarHBondContact O-N 3.38Å; Q1045-K1047 VanDerWaalsContact O-N 3.07Å | ||
| 1046 | S | 29 | Very low | 35.9 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -49.3 | 105.2 | 153.9 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1047 | K | 30.7 | Very low | 34.2 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | -96.4 | 82.3 | 153.4 | -83.6 | -172.7 | 176.7 | -179 | 0 | 108 | Q1045 | Q1045-K1047 PolarHBondContact O-N 3.38Å; Q1045-K1047 VanDerWaalsContact O-N 3.07Å | ||
| 1048 | T | 28.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | -104.7 | 100.7 | 150 | 41.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1049 | T | 29.1 | Very low | 31 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -179.2 | 120.8 | 149.7 | 16.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1050 | D | 31.6 | Very low | 30.5 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 100% | 1.289 | 81% | 0.811 | S | S | * | * | trans | 60.3 | 0 | 171.9 | -57.1 | -17.3 | 0 | 0 | 0 | 120.2 |
Retrieved 1,050 of 1,050 residues in 177.7 ms
(Link to these results)