| 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 | 29.2 | Very low | 29.4 | Very low | 246 Ų | 246 | 141.4 Ų | 141.4 | 100% | 1.212 | 81% | 0.813 | S | S | * | * | 0 | 119.1 | 0 | -76.1 | -141.1 | -98.3 | 0 | 0 | 107.2 | |||||
| 2 | A | 27.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 96% | 0.959 | 76% | 0.759 | S | S | * | * | trans | -78.7 | 115.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | G | 30.3 | Very low | 30.7 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -140.4 | 113 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | D5 | G3-D5 PolarHBondContact O-N 3.02Š| ||
| 4 | G | 26.1 | Very low | 31.5 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | trans | -79.6 | 114.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | D | 28.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | -95.7 | 106.7 | 159.3 | -83.1 | -30.4 | 0 | 0 | 0 | 108.3 | G3 Q7 | G3-D5 PolarHBondContact O-N 3.02Å; D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.49Å | ||
| 6 | R | 26.8 | Very low | 33.2 | Very low | 247 Ų | 247 | 112.1 Ų | 112.1 | 93% | 0.932 | 63% | 0.633 | S | S | * | * | trans | -62.3 | 100.3 | 154.9 | -77.7 | 179.6 | 172.9 | -177.8 | -3 | 105.9 | S8 | R6-S8 PolarHBondContact O-N 3.49Š| ||
| 7 | Q | 28.9 | Very low | 33.8 | Very low | 173 Ų | 173 | 107.1 Ų | 107.1 | 81% | 0.808 | 61% | 0.607 | S | S | * | * | trans | -53.8 | 110.9 | 164 | -78.3 | 179.2 | -17.1 | 0 | 0 | 107.2 | D5 | D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.49Å | ||
| 8 | S | 25.7 | Very low | 34.3 | Very low | 88 Ų | 88 | 105.5 Ų | 105.5 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | trans | -50.2 | 147.8 | 163.4 | 47.2 | 0 | 0 | 0 | 0 | 108.8 | R6 I10 | R6-S8 PolarHBondContact O-N 3.49Å; S8-I10 PolarHBondContact O-N 3.47Å | ||
| 9 | P | 30 | Very low | 34.9 | Very low | 115 Ų | 115 | 103.9 Ų | 103.9 | 75% | 0.747 | 58% | 0.584 | S | S | * | * | trans | -54.9 | 122 | 172.4 | -4.5 | 17.9 | 0 | 0 | 0 | 106 | E11 | P9-E11 VanDerWaalsContact C-N 3.26Å; P9-E11 PolarHBondContact O-N 2.92Å | ||
| 10 | I | 36.9 | Very low | 35.7 | Very low | 91 Ų | 91 | 99.8 Ų | 99.8 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | trans | -62.5 | 99.2 | 175.5 | -56.1 | 175.8 | 0 | 0 | 0 | 104.4 | S8 T12 | S8-I10 PolarHBondContact O-N 3.47Å; I10-T12 HydrophobicContact CG2-CG2 3.81Å; I10-T12 WeakPolarHBondContact CG2-OG1 3.2Å; I10-T12 PolarHBondContact O-N 3Å; I10-T12 PolarHBondContact O-OG1 3.04Å | ||
| 11 | E | 34.3 | Very low | 36.2 | Very low | 171 Ų | 171 | 100 Ų | 100 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | trans | -66.9 | 63.8 | 164.2 | -76.1 | -172.5 | 158.8 | 0 | 0 | 107.6 | P9 K13 | P9-E11 VanDerWaalsContact C-N 3.26Å; P9-E11 PolarHBondContact O-N 2.92Å; E11-K13 PolarHBondContact O-N 3.36Å | ||
| 12 | T | 37.5 | Very low | 37.2 | Very low | 27 Ų | 27 | 94.5 Ų | 94.5 | 17% | 0.166 | 54% | 0.536 | C | S | . | . | trans | -78.9 | 72 | 164.1 | 11.7 | 0 | 0 | 0 | 0 | 105.5 | I10 M14 H1185 | I10-T12 HydrophobicContact CG2-CG2 3.81Å; I10-T12 WeakPolarHBondContact CG2-OG1 3.2Å; I10-T12 PolarHBondContact O-N 3Å; I10-T12 PolarHBondContact O-OG1 3.04Å; T12-M14 VanDerWaalsContact C-N 3.31Å; T12-M14 PolarHBondContact O-N 3.3Å; T12-H1185 PolarHBondContact O-CE1 2.67Å; T12-H1185 VanDerWaalsContact O-CE1 3.23Å; T12-H1185 PolarHBondContact O-NE2 3.27Å | ||
| 13 | K | 37.5 | Very low | 38.3 | Very low | 135 Ų | 135 | 92 Ų | 92 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | trans | -58.6 | 105.1 | 159.7 | -86.2 | -175.3 | 176.1 | 179.3 | 0 | 105.6 | E11 C15 | E11-K13 PolarHBondContact O-N 3.36Å; K13-C15 PolarHBondContact O-N 3.49Å | ||
| 14 | M | 42.6 | Very low | 39.4 | Very low | 11 Ų | 11 | 92.6 Ų | 92.6 | 5% | 0.054 | 51% | 0.511 | C | S | . | . | trans | -45.4 | 127.7 | 172.7 | -75.2 | -164.3 | -176.3 | 0 | 0 | 107.9 | T12 L16 S17 I1181 C1184 C1468 M1516 | T12-M14 VanDerWaalsContact C-N 3.31Å; T12-M14 PolarHBondContact O-N 3.3Å; M14-L16 PolarHBondContact O-N 3.27Å; M14-S17 VanDerWaalsContact O-CB 3.3Å; M14-S17 WeakPolarHBondContact O-CB 3.39Å; M14-S17 PolarHBondContact O-N 3.39Å; M14-S17 PolarHBondContact O-OG 2.66Å; M14-I1181 HydrophobicContact CB-CD1 4.38Å; M14-I1181 HydrophobicContact CB-CG2 4.18Å; M14-I1181 HydrophobicContact CE-CG2 4.4Å; M14-I1181 HydrophobicContact CG-CG2 3.93Å; M14-I1181 HydrophobicContact SD-CB 4.19Å; M14-I1181 HydrophobicContact SD-CD1 4.28Å; M14-I1181 HydrophobicContact SD-CG1 3.69Å; M14-I1181 HydrophobicContact SD-CG2 3.78Å; M14-C1184 HydrophobicContact CE-CB 3.85Å; M14-C1468 HydrophobicContact CE-CB 4.22Å; M14-C1468 HydrophobicContact CG-CB 4.44Å; M14-M1516 HydrophobicContact SD-CE 4.1Å; M14-M1516 HydrophobicContact SD-CG 4.49Å | ||
| 15 | C | 43.5 | Very low | 40.9 | Very low | 26 Ų | 26 | 92.2 Ų | 92.2 | 18% | 0.176 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.4 | -173.3 | -87.1 | 0 | 0 | 0 | 0 | 113.7 | K13 S17 N18 E19 I1377 | K13-C15 PolarHBondContact O-N 3.49Å; C15-S17 PolarHBondContact O-N 2.98Å; C15-N18 PolarHBondContact O-N 3.42Å; C15-E19 PolarHBondContact O-N 2.93Å; C15-I1377 HydrophobicContact CB-CD1 3.6Å; C15-I1377 HydrophobicContact CB-CG1 3.68Å; C15-I1377 WeakPolarHBondContact SG-CD1 3.17Å |
| 16 | L | 46.6 | Very low | 42.5 | Very low | 39 Ų | 39 | 86.4 Ų | 86.4 | 20% | 0.204 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -48.7 | -41.5 | 168.3 | -76.3 | 159.4 | 0 | 0 | 0 | 111.7 | M14 N18 E19 L20 I1181 F1267 M1516 | M14-L16 PolarHBondContact O-N 3.27Å; L16-N18 VanDerWaalsContact C-N 3.32Å; L16-N18 PolarHBondContact O-N 3.47Å; L16-E19 PolarHBondContact O-N 3.27Å; L16-L20 HydrophobicContact CB-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.44Å; L16-I1181 HydrophobicContact CB-CD1 4.42Å; L16-F1267 HydrophobicContact CD1-CZ 3.97Å; L16-F1267 HydrophobicContact CD2-CE2 3.66Å; L16-F1267 HydrophobicContact CD2-CZ 3.67Å; L16-M1516 HydrophobicContact CD1-CE 3.86Å; L16-M1516 HydrophobicContact CD1-SD 3.83Å |
| 17 | S | 42.8 | Very low | 44.4 | Very low | 27 Ų | 27 | 76.6 Ų | 76.6 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -29.5 | -180 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | M14 C15 N21 | M14-S17 VanDerWaalsContact O-CB 3.3Å; M14-S17 WeakPolarHBondContact O-CB 3.39Å; M14-S17 PolarHBondContact O-N 3.39Å; M14-S17 PolarHBondContact O-OG 2.66Å; C15-S17 PolarHBondContact O-N 2.98Å; S17-N21 WeakPolarHBondContact O-CB 3.42Å; S17-N21 VanDerWaalsContact O-CG 3.23Å; S17-N21 PolarHBondContact O-N 2.8Å; S17-N21 PolarHBondContact O-ND2 3.39Å; S17-N21 VanDerWaalsContact O-ND2 3.08Å |
| 18 | N | 42.9 | Very low | 46.9 | Very low | 79 Ų | 79 | 69.9 Ų | 69.9 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -80.8 | -37.1 | 178.5 | -86.5 | -11.9 | 0 | 0 | 0 | 112 | C15 L16 | C15-N18 PolarHBondContact O-N 3.42Å; L16-N18 VanDerWaalsContact C-N 3.32Å; L16-N18 PolarHBondContact O-N 3.47Å |
| 19 | E | 46.6 | Very low | 49.9 | Very low | 76 Ų | 76 | 65.7 Ų | 65.7 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.5 | -39 | 174.3 | -68.5 | -176.9 | 174.3 | 0 | 0 | 111.7 | C15 L16 N21 N22 T24 | C15-E19 PolarHBondContact O-N 2.93Å; L16-E19 PolarHBondContact O-N 3.27Å; E19-N21 VanDerWaalsContact C-N 3.26Å; E19-N21 PolarHBondContact O-N 3.26Å; E19-N22 PolarHBondContact O-N 3.02Å; E19-T24 PolarHBondContact O-OG1 2.98Å |
| 20 | L | 50.1 | Low | 52.6 | Low | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -23 | 178.2 | -72 | 164.6 | 0 | 0 | 0 | 113.2 | L16 M1174 | L16-L20 HydrophobicContact CB-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.44Å; L20-M1174 HydrophobicContact CB-CE 3.56Å; L20-M1174 HydrophobicContact CB-SD 3.7Å; L20-M1174 HydrophobicContact CD1-SD 4.03Å; L20-M1174 HydrophobicContact CD2-CE 3.31Å; L20-M1174 HydrophobicContact CD2-SD 3.45Å; L20-M1174 WeakPolarHBondContact CD2-SD 3.5Å; L20-M1174 HydrophobicContact CG-CE 3.95Å; L20-M1174 HydrophobicContact CG-SD 3.88Å; L20-M1174 VanDerWaalsContact O-CE 3.29Å; L20-M1174 WeakPolarHBondContact O-CE 3.48Å |
| 21 | N | 46.8 | Very low | 54.7 | Low | 103 Ų | 103 | 57.3 Ų | 57.3 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -84.8 | -17.8 | -178.7 | -85.4 | -22.4 | 0 | 0 | 0 | 114.5 | S17 E19 | S17-N21 WeakPolarHBondContact O-CB 3.42Å; S17-N21 VanDerWaalsContact O-CG 3.23Å; S17-N21 PolarHBondContact O-N 2.8Å; S17-N21 PolarHBondContact O-ND2 3.39Å; S17-N21 VanDerWaalsContact O-ND2 3.08Å; E19-N21 VanDerWaalsContact C-N 3.26Å; E19-N21 PolarHBondContact O-N 3.26Å |
| 22 | N | 49.5 | Very low | 56.6 | Low | 132 Ų | 132 | 54 Ų | 54 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.6 | -174.8 | -78.7 | -14.3 | 0 | 0 | 0 | 114.6 | E19 T24 | E19-N22 PolarHBondContact O-N 3.02Å; N22-T24 PolarHBondContact O-N 3.48Å; N22-T24 VanDerWaalsContact O-N 3.14Å |
| 23 | G | 50.8 | Low | 58.5 | Low | 63 Ų | 63 | 54 Ų | 54 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 14.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 24 | T | 52.8 | Low | 60.1 | Low | 85 Ų | 85 | 48.2 Ų | 48.2 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 126.3 | 172.9 | 34.5 | 0 | 0 | 0 | 0 | 109.3 | E19 N22 | E19-T24 PolarHBondContact O-OG1 2.98Å; N22-T24 PolarHBondContact O-N 3.48Å; N22-T24 VanDerWaalsContact O-N 3.14Å |
| 25 | P | 57.8 | Low | 61.2 | Low | 73 Ų | 73 | 49.6 Ų | 49.6 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 137.6 | -179.5 | 23.9 | -31.6 | 0 | 0 | 0 | 110.9 | Q1167 | P25-Q1167 HydrophobicContact CB-CB 3.52Å; P25-Q1167 HydrophobicContact CB-CG 4.32Å |
| 26 | L | 62.7 | Low | 62.2 | Low | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 135.5 | 176.4 | -73.5 | 167 | 0 | 0 | 0 | 110 | V28 L1169 F1267 | L26-V28 PolarHBondContact O-N 3.39Å; L26-L1169 HydrophobicContact CD1-CD1 3.6Å; L26-F1267 HydrophobicContact CD1-CB 4.31Å; L26-F1267 HydrophobicContact CD1-CD2 4.34Å |
| 27 | P | 66.7 | Low | 62.8 | Low | 40 Ų | 40 | 53.7 Ų | 53.7 | 26% | 0.26 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 127.8 | 176.1 | 24.2 | -30.1 | 0 | 0 | 0 | 110.3 | Q1331 D1332 | P27-Q1331 PolarHBondContact O-NE2 2.85Å; P27-D1332 HydrophobicContact CG-CB 3.68Å |
| 28 | V | 81.1 | Confident | 63.1 | Low | 32 Ų | 32 | 56 Ų | 56 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | trans | -114.9 | 129.9 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | L26 V31 N1265 H1351 | L26-V28 PolarHBondContact O-N 3.39Å; V28-V31 HydrophobicContact CB-CG2 3.74Å; V28-V31 HydrophobicContact CG2-CB 4.39Å; V28-V31 HydrophobicContact CG2-CG2 3.87Å; V28-N1265 WeakPolarHBondContact CA-OD1 3.31Å; V28-H1351 PolarHBondContact O-CE1 2.84Å | ||
| 29 | S | 87.5 | Confident | 63.4 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -104.5 | 147.7 | 178.8 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | V31 N1265 F1271 H1351 | S29-V31 PolarHBondContact O-N 2.77Å; S29-N1265 PolarHBondContact N-OD1 3.43Å; S29-N1265 PolarHBondContact O-ND2 3.48Å; S29-F1271 WeakPolarHBondContact O-CE2 3.43Å; S29-H1351 PolarHBondContact OG-NE2 3.2Å |
| 30 | F | 87.8 | Confident | 63.3 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 62 | 2 | 176.4 | -50.5 | -68.2 | 0 | 0 | 0 | 118.5 | E32 L33 R34 V1264 F1271 V1283 A1308 W1310 W1329 A1350 | F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.3Å; F30-L33 HydrophobicContact CB-CD1 4.43Å; F30-L33 HydrophobicContact CD1-CD1 3.81Å; F30-L33 WeakPolarHBondContact O-CB 3.25Å; F30-L33 PolarHBondContact O-N 3.47Å; F30-R34 PolarHBondContact O-N 3.06Å; F30-V1264 HydrophobicContact CD2-CG1 4.11Å; F30-V1264 HydrophobicContact CE2-CG1 4.49Å; F30-F1271 HydrophobicContact CB-CD2 4.2Å; F30-F1271 HydrophobicContact CB-CE2 4.03Å; F30-V1283 HydrophobicContact CD2-CG1 4.1Å; F30-V1283 HydrophobicContact CD2-CG2 4.34Å; F30-V1283 HydrophobicContact CE2-CG2 3.97Å; F30-V1283 HydrophobicContact CG-CG1 4.48Å; F30-V1283 HydrophobicContact CZ-CG2 4.16Å; F30-A1308 HydrophobicContact CE1-CB 4.44Å; F30-W1310 HydrophobicContact CZ-CH2 4.12Å; F30-W1310 HydrophobicContact CZ-CZ3 4.4Å; F30-W1329 HydrophobicContact CE2-CH2 4.45Å; F30-A1350 HydrophobicContact CD2-CB 4.47Å; F30-A1350 HydrophobicContact CE1-CB 4.02Å; F30-A1350 HydrophobicContact CE2-CB 3.64Å; F30-A1350 HydrophobicContact CZ-CB 3.38Å |
| 31 | V | 81.1 | Confident | 63.1 | Low | 14 Ų | 14 | 65 Ų | 65 | 9% | 0.085 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -36.7 | -179.8 | 175 | 0 | 0 | 0 | 0 | 112.7 | V28 S29 L33 R34 K35 H1269 F1271 | V28-V31 HydrophobicContact CB-CG2 3.74Å; V28-V31 HydrophobicContact CG2-CB 4.39Å; V28-V31 HydrophobicContact CG2-CG2 3.87Å; S29-V31 PolarHBondContact O-N 2.77Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 3.14Å; V31-R34 WeakPolarHBondContact O-CB 3.33Å; V31-R34 PolarHBondContact O-N 2.95Å; V31-R34 VanDerWaalsContact O-N 3.12Å; V31-K35 PolarHBondContact O-N 3.33Å; V31-H1269 HydrophobicContact CG2-CB 4.12Å; V31-F1271 HydrophobicContact CG2-CE2 4.35Å; V31-F1271 HydrophobicContact CG2-CZ 4.47Å |
| 32 | E | 73.6 | Confident | 63.1 | Low | 101 Ų | 101 | 65 Ų | 65 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -30.8 | 176.1 | -70.6 | -60.9 | 134.9 | 0 | 0 | 113.3 | F30 K35 R36 | F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.3Å; E32-K35 IonicContact OE1-NZ 3.44Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 2.92Å |
| 33 | L | 76.8 | Confident | 63 | Low | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 175.9 | -63.4 | -179 | 0 | 0 | 0 | 111.4 | F30 V31 A37 A1308 | F30-L33 HydrophobicContact CB-CD1 4.43Å; F30-L33 HydrophobicContact CD1-CD1 3.81Å; F30-L33 WeakPolarHBondContact O-CB 3.25Å; F30-L33 PolarHBondContact O-N 3.47Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 3.14Å; L33-A37 PolarHBondContact O-N 3Å; L33-A1308 HydrophobicContact CD1-CB 4.03Å |
| 34 | R | 71.5 | Confident | 62.9 | Low | 13 Ų | 13 | 69.7 Ų | 69.7 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -56.1 | 173 | -171 | 178.4 | -171.6 | -179 | -2.8 | 109.3 | F30 V31 R36 A37 W38 F1271 D1285 L1307 | F30-R34 PolarHBondContact O-N 3.06Å; V31-R34 WeakPolarHBondContact O-CB 3.33Å; V31-R34 PolarHBondContact O-N 2.95Å; V31-R34 VanDerWaalsContact O-N 3.12Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 2.79Å; R34-A37 WeakPolarHBondContact O-CB 3.42Å; R34-A37 PolarHBondContact O-N 3.16Å; R34-W38 PolarHBondContact O-NE1 2.87Å; R34-F1271 HydrophobicContact CB-CZ 4.41Å; R34-D1285 WeakPolarHBondContact CD-OD2 3.35Å; R34-D1285 IonicContact CZ-OD1 3.89Å; R34-D1285 IonicContact CZ-OD2 2.73Å; R34-D1285 IonicContact NE-OD2 3.18Å; R34-D1285 PolarHBondContact NE-OD2 3.42Å; R34-D1285 IonicContact NH2-OD2 3.42Å; R34-L1307 HydrophobicContact CB-CD2 4.4Å |
| 35 | K | 66.4 | Low | 63 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50 | -47.6 | -178.3 | -67 | -178.6 | 179.7 | 177 | 0 | 112.9 | V31 E32 A37 W38 E1166 | V31-K35 PolarHBondContact O-N 3.33Å; E32-K35 IonicContact OE1-NZ 3.44Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 3.1Å; K35-W38 PolarHBondContact O-N 3.23Å; K35-E1166 VanDerWaalsContact CE-OE1 3.28Å; K35-E1166 WeakPolarHBondContact CE-OE1 3.49Å; K35-E1166 IonicContact NZ-OE1 3.2Å; K35-E1166 PolarHBondContact NZ-OE1 3.24Å; K35-E1166 IonicContact NZ-OE2 2.76Å; K35-E1166 PolarHBondContact NZ-OE2 3.28Å |
| 36 | R | 64.4 | Low | 62.8 | Low | 98 Ų | 98 | 69.9 Ų | 69.9 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.5 | -27.6 | 179.7 | -68.3 | 177.9 | -174.3 | 167.9 | 4.9 | 114.9 | E32 R34 W38 | E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 2.92Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 2.79Å; R36-W38 PolarHBondContact O-N 3.13Å |
| 37 | A | 58.1 | Low | 62.6 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.3 | -16.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | L33 R34 K35 | L33-A37 PolarHBondContact O-N 3Å; R34-A37 WeakPolarHBondContact O-CB 3.42Å; R34-A37 PolarHBondContact O-N 3.16Å; K35-A37 VanDerWaalsContact C-N 3.29Å; K35-A37 PolarHBondContact O-N 3.1Å |
| 38 | W | 50.1 | Low | 62.5 | Low | 74 Ų | 74 | 74.1 Ų | 74.1 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 0.1 | -170.3 | -63.7 | 106.3 | 0 | 0 | 0 | 114.5 | R34 K35 R36 Q1287 I1298 L1301 | R34-W38 PolarHBondContact O-NE1 2.87Å; K35-W38 PolarHBondContact O-N 3.23Å; R36-W38 PolarHBondContact O-N 3.13Å; W38-Q1287 HydrophobicContact CZ2-CG 4.39Å; W38-I1298 HydrophobicContact CD2-CD1 4.28Å; W38-I1298 HydrophobicContact CE3-CD1 3.51Å; W38-I1298 HydrophobicContact CH2-CD1 4.14Å; W38-I1298 HydrophobicContact CZ3-CD1 3.39Å; W38-I1298 HydrophobicContact CZ3-CG2 4.03Å; W38-L1301 HydrophobicContact CE3-CD1 4.4Å; W38-L1301 HydrophobicContact CH2-CD1 3.65Å; W38-L1301 HydrophobicContact CH2-CD2 4.21Å; W38-L1301 HydrophobicContact CH2-CG 4.42Å; W38-L1301 HydrophobicContact CZ3-CD1 3.31Å; W38-L1301 HydrophobicContact CZ3-CD2 4.49Å; W38-L1301 HydrophobicContact CZ3-CG 4.46Å |
| 39 | E | 49.8 | Very low | 62.3 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 36% | 0.36 | 37% | 0.374 | S | S | . | . | trans | -110 | 60.5 | -165.5 | -64.4 | 172.2 | 177 | 0 | 0 | 113.3 | L1146 | E39-L1146 HydrophobicContact CG-CD1 4.46Å; E39-L1146 WeakPolarHBondContact OE1-CD1 3.49Å; E39-L1146 WeakPolarHBondContact OE2-CD1 3.4Å | ||
| 40 | E | 43.4 | Very low | 61.6 | Low | 198 Ų | 198 | 77.3 Ų | 77.3 | 93% | 0.925 | 39% | 0.387 | S | S | * | . | trans | -100.7 | 92 | 161 | -79.9 | -164.2 | 162.1 | 0 | 0 | 110.1 | ||||
| 41 | E | 47 | Very low | 60.7 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | trans | -75.5 | 148.8 | 170.1 | -83.7 | -149.1 | 146 | 0 | 0 | 112 | K43 P584 | E41-K43 PolarHBondContact O-N 2.97Å; E41-P584 WeakPolarHBondContact OE2-CG 3.45Å | ||
| 42 | P | 45.4 | Very low | 59.9 | Low | 105 Ų | 105 | 89.9 Ų | 89.9 | 68% | 0.682 | 44% | 0.437 | S | S | * | . | trans | -58.9 | 134.5 | 176 | 24 | -32.5 | 0 | 0 | 0 | 110.7 | V44 | P42-V44 PolarHBondContact O-N 3.45Š| ||
| 43 | K | 48.5 | Very low | 59.6 | Low | 214 Ų | 214 | 92.1 Ų | 92.1 | 93% | 0.93 | 45% | 0.447 | S | S | * | . | trans | -56.5 | 114.2 | 173.5 | -71.1 | -176.9 | 178.9 | -179.5 | 0 | 109.3 | E41 | E41-K43 PolarHBondContact O-N 2.97Š| ||
| 44 | V | 48.5 | Very low | 59.5 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | trans | -86.4 | 132.8 | 175 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | P42 P46 N588 | P42-V44 PolarHBondContact O-N 3.45Å; V44-P46 WeakPolarHBondContact O-CD 3.21Å; V44-N588 WeakPolarHBondContact CG1-ND2 3.46Å | ||
| 45 | D | 54.1 | Low | 60.1 | Low | 104 Ų | 104 | 101 Ų | 101 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | trans | -72.1 | 116.3 | 179.6 | -164.6 | -18.6 | 0 | 0 | 0 | 110.2 | D47 V48 | D45-D47 PolarHBondContact O-N 3.14Å; D45-D47 PolarHBondContact OD1-N 3.17Å; D45-V48 HydrophobicContact CB-CG2 4.41Å | ||
| 46 | P | 55 | Low | 61.2 | Low | 59 Ų | 59 | 104.5 Ų | 104.5 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -68.3 | -14.9 | -176.1 | 26.4 | -34 | 0 | 0 | 0 | 113.8 | V44 V48 | V44-P46 WeakPolarHBondContact O-CD 3.21Å; P46-V48 VanDerWaalsContact C-N 3.3Å; P46-V48 PolarHBondContact O-N 2.81Å |
| 47 | D | 57.1 | Low | 62.7 | Low | 80 Ų | 80 | 99.9 Ų | 99.9 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -78.8 | -5.9 | -170.5 | -87.7 | 3 | 0 | 0 | 0 | 115.1 | D45 W49 R52 | D45-D47 PolarHBondContact O-N 3.14Å; D45-D47 PolarHBondContact OD1-N 3.17Å; D47-W49 PolarHBondContact O-N 2.87Å; D47-R52 IonicContact OD2-CZ 2.87Å; D47-R52 IonicContact OD2-NH2 3.11Å; D47-R52 PolarHBondContact OD2-NH2 2.68Å |
| 48 | V | 65.5 | Low | 64.5 | Low | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -72.6 | -25.6 | -168.5 | -177 | 0 | 0 | 0 | 0 | 113.6 | D45 P46 | D45-V48 HydrophobicContact CB-CG2 4.41Å; P46-V48 VanDerWaalsContact C-N 3.3Å; P46-V48 PolarHBondContact O-N 2.81Å |
| 49 | W | 76.6 | Confident | 66.7 | Low | 26 Ų | 26 | 96 Ų | 96 | 10% | 0.098 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -105.3 | -20 | -173.7 | 74.7 | -90.2 | 0 | 0 | 0 | 114.4 | D47 M51 L591 F596 D625 | D47-W49 PolarHBondContact O-N 2.87Å; W49-M51 PolarHBondContact O-N 2.85Å; W49-L591 HydrophobicContact CB-CB 4.11Å; W49-L591 HydrophobicContact CD2-CB 3.67Å; W49-L591 HydrophobicContact CD2-CD1 4.1Å; W49-L591 HydrophobicContact CD2-CG 4.34Å; W49-L591 HydrophobicContact CE3-CB 3.88Å; W49-L591 HydrophobicContact CG-CB 3.77Å; W49-L591 HydrophobicContact CG-CD1 4.31Å; W49-L591 HydrophobicContact CH2-CD2 4.31Å; W49-L591 HydrophobicContact CZ2-CD1 4.08Å; W49-L591 HydrophobicContact CZ2-CD2 4.41Å; W49-L591 HydrophobicContact CZ3-CD2 4.38Å; W49-F596 HydrophobicContact CH2-CB 4.31Å; W49-F596 HydrophobicContact CH2-CD1 4.45Å; W49-F596 AromaticContact CH2-CD2 3.79Å; W49-F596 HydrophobicContact CH2-CD2 3.79Å; W49-F596 HydrophobicContact CH2-CE2 4.17Å; W49-F596 AromaticContact CH2-CG 3.93Å; W49-F596 HydrophobicContact CH2-CG 3.93Å; W49-F596 HydrophobicContact CZ3-CB 4.02Å; W49-F596 HydrophobicContact CZ3-CD2 4.35Å; W49-F596 HydrophobicContact CZ3-CG 4.06Å; W49-D625 VanDerWaalsContact CZ2-OD2 3.25Å; W49-D625 WeakPolarHBondContact CZ2-OD2 3.43Å; W49-D625 PolarHBondContact NE1-OD2 2.85Å |
| 50 | R | 72.5 | Confident | 69 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | trans | -74.3 | 115.6 | -175.8 | -74.4 | -166.5 | 169.2 | -135.1 | -13.5 | 110.7 | R52 D625 S627 E631 | R50-R52 PolarHBondContact O-N 3.5Å; R50-D625 IonicContact NE-OD2 2.64Å; R50-S627 VanDerWaalsContact CZ-CB 3.5Å; R50-S627 PolarHBondContact NE-OG 2.94Å; R50-S627 PolarHBondContact NH2-O 3.34Å; R50-S627 PolarHBondContact NH2-OG 3.17Å; R50-E631 IonicContact NH1-OE1 3.96Å; R50-E631 IonicContact NH2-OE1 3.81Å; R50-E631 IonicContact NH2-OE2 3.52Å | ||
| 51 | M | 69.5 | Low | 71.5 | Confident | 90 Ų | 90 | 83 Ų | 83 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | trans | -65.1 | 97.9 | 169 | -87.2 | -178.8 | -87.1 | 0 | 0 | 110.1 | W49 E53 R422 | W49-M51 PolarHBondContact O-N 2.85Å; M51-E53 VanDerWaalsContact C-N 3.3Å; M51-E53 PolarHBondContact O-N 3.35Å; M51-R422 HydrophobicContact CE-CB 3.7Å; M51-R422 HydrophobicContact SD-CB 3.81Å | ||
| 52 | R | 64 | Low | 74 | Confident | 204 Ų | 204 | 78.8 Ų | 78.8 | 77% | 0.77 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -61.1 | -36 | -179.5 | -69.9 | -176.6 | 174.2 | 178.5 | -1.7 | 112.9 | D47 R50 | D47-R52 IonicContact OD2-CZ 2.87Å; D47-R52 IonicContact OD2-NH2 3.11Å; D47-R52 PolarHBondContact OD2-NH2 2.68Å; R50-R52 PolarHBondContact O-N 3.5Å |
| 53 | E | 68.3 | Low | 76.5 | Confident | 148 Ų | 148 | 73.9 Ų | 73.9 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | trans | -133.8 | 110.6 | -174.7 | -153.8 | 175.3 | -151.4 | 0 | 0 | 112.3 | M51 M55 Q423 | M51-E53 VanDerWaalsContact C-N 3.3Å; M51-E53 PolarHBondContact O-N 3.35Å; E53-M55 PolarHBondContact O-N 2.78Å; E53-Q423 PolarHBondContact O-NE2 3.22Å | ||
| 54 | R | 73 | Confident | 78.8 | Confident | 203 Ų | 203 | 63.7 Ų | 63.7 | 77% | 0.766 | 30% | 0.301 | S | S | * | . | trans | -87.5 | 102.2 | 179.6 | -162 | 175.6 | -172.2 | 179.5 | 4.7 | 109.7 | ||||
| 55 | M | 84.4 | Confident | 81 | Confident | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -90.2 | 149.4 | -176.9 | -170.1 | 168.7 | 1.2 | 0 | 0 | 112 | E53 R145 P189 Q423 | E53-M55 PolarHBondContact O-N 2.78Å; M55-R145 HydrophobicContact CG-CB 4.21Å; M55-R145 HydrophobicContact SD-CB 4.04Å; M55-R145 VanDerWaalsContact SD-CZ 3.53Å; M55-R145 PolarHBondContact SD-NE 2.77Å; M55-R145 VanDerWaalsContact SD-NE 3.45Å; M55-R145 PolarHBondContact SD-NH2 3.09Å; M55-P189 HydrophobicContact SD-CB 3.84Å; M55-P189 HydrophobicContact SD-CG 3.69Å; M55-Q423 HydrophobicContact CB-CG 4.09Å; M55-Q423 VanDerWaalsContact CE-OE1 3.31Å | ||
| 56 | K | 91 | Very high | 82.9 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | trans | -130.2 | 137.1 | 175.3 | -66 | 173.2 | -175 | 162.5 | 0 | 111.6 | V58 E144 R145 | K56-V58 HydrophobicContact CB-CG1 4.1Å; K56-V58 PolarHBondContact O-N 2.85Å; K56-E144 PolarHBondContact N-OE2 3.34Å; K56-R145 PolarHBondContact O-N 2.79Å | ||
| 57 | T | 94.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.7 | 165.1 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | Q114 R145 L147 D424 L426 | T57-Q114 PolarHBondContact O-NE2 3.46Å; T57-R145 WeakPolarHBondContact CA-O 3.39Å; T57-R145 WeakPolarHBondContact OG1-CD 3.48Å; T57-L147 HydrophobicContact CG2-CB 4.02Å; T57-D424 WeakPolarHBondContact CB-OD2 3.47Å; T57-D424 PolarHBondContact N-OD2 2.85Å; T57-D424 PolarHBondContact OG1-OD2 2.7Å; T57-L426 HydrophobicContact CG2-CD2 3.7Å |
| 58 | V | 95.2 | Very high | 86.1 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -13.3 | -174.2 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | K56 A117 R118 A141 E144 R145 | K56-V58 HydrophobicContact CB-CG1 4.1Å; K56-V58 PolarHBondContact O-N 2.85Å; V58-A117 WeakPolarHBondContact O-CA 3.39Å; V58-R118 PolarHBondContact O-N 3.02Å; V58-A141 HydrophobicContact CG2-CB 3.63Å; V58-E144 HydrophobicContact CB-CB 4.37Å; V58-E144 HydrophobicContact CG1-CB 3.92Å; V58-E144 HydrophobicContact CG1-CG 4.01Å; V58-E144 HydrophobicContact CG2-CB 3.53Å; V58-E144 HydrophobicContact CG2-CG 4.3Å; V58-R145 PolarHBondContact N-O 2.97Å; V58-R145 VanDerWaalsContact N-O 3.14Å |
| 59 | S | 96.8 | Very high | 87 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.1 | -174.9 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | R118 V146 L147 | S59-R118 CarbonylContact C-O 3.6Å; S59-R118 WeakPolarHBondContact CA-O 3.34Å; S59-V146 WeakPolarHBondContact O-CA 3.25Å; S59-L147 PolarHBondContact O-N 3.35Å |
| 60 | V | 97.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.4 | -174.9 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | L62 A117 R118 Y119 K120 L147 | V60-L62 HydrophobicContact CG1-CD2 3.59Å; V60-L62 HydrophobicContact CG1-CG 4.03Å; V60-A117 HydrophobicContact CG2-CB 4.11Å; V60-R118 PolarHBondContact N-O 3.25Å; V60-Y119 HydrophobicContact CB-CD1 3.58Å; V60-Y119 HydrophobicContact CB-CE1 3.62Å; V60-Y119 HydrophobicContact CB-CG 4.41Å; V60-Y119 HydrophobicContact CG1-CD1 3.72Å; V60-Y119 HydrophobicContact CG1-CE1 3.73Å; V60-Y119 HydrophobicContact CG2-CD1 4.13Å; V60-Y119 HydrophobicContact CG2-CE1 3.66Å; V60-Y119 CarbonylContact O-C 3.6Å; V60-Y119 WeakPolarHBondContact O-CA 3.46Å; V60-K120 PolarHBondContact O-N 3.38Å; V60-L147 CarbonylContact C-O 3.57Å; V60-L147 WeakPolarHBondContact CA-O 3.48Å; V60-L147 HydrophobicContact CG1-CB 4.39Å; V60-L147 HydrophobicContact CG1-CD2 3.66Å; V60-L147 HydrophobicContact CG2-CB 4.14Å |
| 61 | A | 97.7 | Very high | 88.1 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L137 L147 F148 H149 | A61-L137 HydrophobicContact CB-CD1 3.61Å; A61-L147 PolarHBondContact N-O 3.08Å; A61-F148 HydrophobicContact CB-CD2 3.89Å; A61-H149 PolarHBondContact O-N 3.13Å |
| 62 | L | 98 | Very high | 89 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 105.7 | 175.7 | -55.9 | 178.2 | 0 | 0 | 0 | 108.4 | V60 L106 Q107 Y110 Y119 K120 L121 S122 H149 | V60-L62 HydrophobicContact CG1-CD2 3.59Å; V60-L62 HydrophobicContact CG1-CG 4.03Å; L62-L106 HydrophobicContact CD1-CG 4.27Å; L62-L106 HydrophobicContact CD2-CD2 4.24Å; L62-L106 HydrophobicContact CD2-CG 4.38Å; L62-Q107 HydrophobicContact CD1-CB 3.79Å; L62-Q107 HydrophobicContact CD1-CG 4.3Å; L62-Y110 HydrophobicContact CD2-CD2 3.81Å; L62-Y110 HydrophobicContact CD2-CE2 3.87Å; L62-Y119 HydrophobicContact CD1-CD1 4.37Å; L62-K120 PolarHBondContact N-O 3.35Å; L62-L121 HydrophobicContact CB-CD1 3.94Å; L62-S122 PolarHBondContact O-N 3.19Å; L62-H149 HydrophobicContact CD2-CB 3.81Å |
| 63 | V | 97.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 108.6 | -178.6 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | P125 I130 F148 H149 Y150 N151 | V63-P125 HydrophobicContact CG1-CG 3.84Å; V63-I130 HydrophobicContact CG1-CD1 3.95Å; V63-I130 HydrophobicContact CG1-CG1 4.37Å; V63-I130 HydrophobicContact CG2-CG1 4.47Å; V63-F148 HydrophobicContact CB-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 4.42Å; V63-F148 HydrophobicContact CG2-CE2 3.6Å; V63-F148 HydrophobicContact CG2-CZ 3.79Å; V63-H149 PolarHBondContact N-O 2.87Å; V63-Y150 HydrophobicContact CB-CD2 4.44Å; V63-Y150 HydrophobicContact CG1-CD2 3.93Å; V63-Y150 WeakPolarHBondContact O-CA 3.39Å; V63-N151 PolarHBondContact O-N 3.44Å |
| 64 | L | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120 | 179.4 | -63.3 | -179.2 | 0 | 0 | 0 | 109.2 | L66 I102 G103 L106 L121 S122 D124 P125 N151 | L64-L66 HydrophobicContact CB-CD1 4.45Å; L64-L66 HydrophobicContact CB-CG 4.3Å; L64-I102 HydrophobicContact CD1-CG2 4.22Å; L64-G103 VanDerWaalsContact CD1-CA 3.45Å; L64-L106 HydrophobicContact CD2-CD2 3.77Å; L64-L121 HydrophobicContact CD1-CD1 4.12Å; L64-L121 HydrophobicContact CG-CD1 4.5Å; L64-S122 PolarHBondContact N-O 3.24Å; L64-D124 WeakPolarHBondContact O-CA 3.29Å; L64-D124 PolarHBondContact O-N 3.15Å; L64-P125 WeakPolarHBondContact O-CD 3.49Å; L64-N151 HydrophobicContact CD2-CB 3.65Å |
| 65 | C | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -119.5 | 79.3 | 176.5 | -68.3 | 0 | 0 | 0 | 0 | 109 | D124 Y150 N151 H153 G154 V155 F167 | C65-D124 WeakPolarHBondContact CA-OD1 3.42Å; C65-Y150 HydrophobicContact CB-CE2 4.36Å; C65-N151 PolarHBondContact N-O 3Å; C65-H153 PolarHBondContact O-N 3.22Å; C65-G154 WeakPolarHBondContact O-CA 3.45Å; C65-G154 PolarHBondContact O-N 3.02Å; C65-V155 HydrophobicContact CB-CG1 3.88Å; C65-V155 HydrophobicContact CB-CG2 4.18Å; C65-F167 HydrophobicContact CB-CE2 3.86Å | ||
| 66 | L | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | trans | -109.6 | -32.2 | -167.1 | -61.6 | -176.8 | 0 | 0 | 0 | 114 | L64 V68 I99 I102 D124 N151 H153 G154 | L64-L66 HydrophobicContact CB-CD1 4.45Å; L64-L66 HydrophobicContact CB-CG 4.3Å; L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 HydrophobicContact CB-CG2 4.02Å; L66-V68 PolarHBondContact O-N 3.38Å; L66-I99 HydrophobicContact CB-CD1 4.25Å; L66-I99 HydrophobicContact CD1-CG1 4.37Å; L66-I102 HydrophobicContact CD1-CD1 4.17Å; L66-I102 HydrophobicContact CD1-CG2 3.94Å; L66-D124 PolarHBondContact N-OD1 3.45Å; L66-N151 WeakPolarHBondContact CD2-OD1 3.17Å; L66-H153 HydrophobicContact CD2-CB 3.98Å; L66-G154 VanDerWaalsContact O-CA 3.23Å; L66-G154 WeakPolarHBondContact O-CA 3.26Å | ||
| 67 | N | 90.5 | Very high | 90.2 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | trans | 39 | 56.5 | -174.6 | -165.8 | 16.3 | 0 | 0 | 0 | 112.8 | G69 V70 Q95 D124 F167 | N67-G69 PolarHBondContact O-N 2.88Å; N67-G69 VanDerWaalsContact O-N 3.15Å; N67-V70 PolarHBondContact O-N 2.87Å; N67-Q95 PolarHBondContact OD1-NE2 2.78Å; N67-D124 PolarHBondContact N-OD1 2.99Å; N67-D124 PolarHBondContact N-OD2 3.37Å; N67-F167 HydrophobicContact CB-CE1 3.89Å; N67-F167 HydrophobicContact CB-CE2 4.46Å; N67-F167 HydrophobicContact CB-CZ 3.57Å | ||
| 68 | V | 88.9 | Confident | 89.6 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 119.8 | -164.5 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | L66 P90 Q95 A98 I99 I102 | L66-V68 VanDerWaalsContact C-N 3.27Å; L66-V68 HydrophobicContact CB-CG2 4.02Å; L66-V68 PolarHBondContact O-N 3.38Å; V68-P90 HydrophobicContact CG1-CB 3.44Å; V68-P90 VanDerWaalsContact CG1-CB 3.44Å; V68-P90 HydrophobicContact CG1-CG 4.34Å; V68-Q95 HydrophobicContact CB-CG 4.11Å; V68-Q95 VanDerWaalsContact O-CD 3.32Å; V68-Q95 VanDerWaalsContact O-CG 3.31Å; V68-Q95 WeakPolarHBondContact O-CG 3.39Å; V68-A98 HydrophobicContact CG1-CB 4.08Å; V68-A98 HydrophobicContact CG2-CB 4.44Å; V68-I99 HydrophobicContact CG2-CB 4.21Å; V68-I102 HydrophobicContact CG2-CD1 4.41Å |
| 69 | G | 83.1 | Confident | 89 | Confident | 81 Ų | 81 | 45.7 Ų | 45.7 | 84% | 0.835 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | -4.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N67 | N67-G69 PolarHBondContact O-N 2.88Å; N67-G69 VanDerWaalsContact O-N 3.15Å |
| 70 | V | 87.8 | Confident | 88.4 | Confident | 71 Ų | 71 | 50 Ų | 50 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | trans | -121.7 | 112.1 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | N67 | N67-V70 PolarHBondContact O-N 2.87Š| ||
| 71 | D | 85.1 | Confident | 87.9 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | trans | -76 | 138.9 | 177.5 | -71.5 | -42.6 | 0 | 0 | 0 | 111.5 | R77 | D71-R77 WeakPolarHBondContact OD1-CD 3.19Å; D71-R77 IonicContact OD1-CZ 3.59Å; D71-R77 IonicContact OD1-NE 2.58Å; D71-R77 PolarHBondContact OD1-NE 2.78Å | ||
| 72 | P | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | trans | -70 | 154.1 | 175.6 | 29.7 | -33.5 | 0 | 0 | 0 | 111.5 | D74 V75 | P72-D74 PolarHBondContact O-N 2.97Å; P72-D74 VanDerWaalsContact O-N 3.11Å; P72-V75 HydrophobicContact CG-CB 4.01Å; P72-V75 HydrophobicContact CG-CG2 3.85Å; P72-V75 PolarHBondContact O-N 2.7Å | ||
| 73 | P | 85.6 | Confident | 87 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 71% | 0.714 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.9 | -168.1 | 25.3 | -35.2 | 0 | 0 | 0 | 115.2 | Y174 | P73-Y174 HydrophobicContact CG-CE2 4.46Š|
| 74 | D | 83.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5 | -175.7 | 63.1 | -30.9 | 0 | 0 | 0 | 113.9 | P72 P156 K157 | P72-D74 PolarHBondContact O-N 2.97Å; P72-D74 VanDerWaalsContact O-N 3.11Å; D74-P156 VanDerWaalsContact OD1-CA 3.32Å; D74-P156 WeakPolarHBondContact OD1-CA 3.41Å; D74-P156 WeakPolarHBondContact OD2-CA 3.48Å; D74-K157 WeakPolarHBondContact OD2-CG 3.47Å; D74-K157 PolarHBondContact OD2-N 3.12Å |
| 75 | V | 78.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 33% | 0.328 | C | S | . | . | trans | -126.8 | 114.4 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | P72 R77 N197 | P72-V75 HydrophobicContact CG-CB 4.01Å; P72-V75 HydrophobicContact CG-CG2 3.85Å; P72-V75 PolarHBondContact O-N 2.7Å; V75-R77 HydrophobicContact CG1-CG 4.38Å; V75-N197 VanDerWaalsContact CG2-ND2 3.29Å; V75-N197 WeakPolarHBondContact CG2-ND2 3.34Å | ||
| 76 | V | 78.4 | Confident | 86.5 | Confident | 131 Ų | 131 | 59.1 Ų | 59.1 | 79% | 0.794 | 33% | 0.329 | S | S | * | . | trans | -98.5 | 110.1 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | R | 79.9 | Confident | 86.5 | Confident | 58 Ų | 58 | 60 Ų | 60 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -89 | 129.8 | 177.8 | -62 | -171.5 | -169 | -106.1 | -3.9 | 111.8 | D71 V75 C81 H153 | D71-R77 WeakPolarHBondContact OD1-CD 3.19Å; D71-R77 IonicContact OD1-CZ 3.59Å; D71-R77 IonicContact OD1-NE 2.58Å; D71-R77 PolarHBondContact OD1-NE 2.78Å; V75-R77 HydrophobicContact CG1-CG 4.38Å; R77-C81 HydrophobicContact CB-CB 4.29Å; R77-H153 PolarHBondContact NH2-O 3.5Å | ||
| 78 | P | 82.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | trans | -66.6 | 162 | 172.4 | 27.1 | -32.3 | 0 | 0 | 0 | 111.5 | P80 C81 | P78-P80 CarbonylContact O-C 3.56Å; P78-C81 HydrophobicContact CG-CB 4.44Å; P78-C81 WeakPolarHBondContact O-CB 3.42Å; P78-C81 PolarHBondContact O-N 2.82Å | ||
| 79 | R | 82 | Confident | 86.6 | Confident | 232 Ų | 232 | 64.6 Ų | 64.6 | 88% | 0.875 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -119.8 | 118.9 | 173.6 | -68 | -173.5 | -179 | -176.5 | 0.9 | 109.8 | ||
| 80 | P | 84.8 | Confident | 86.8 | Confident | 92 Ų | 92 | 62 Ų | 62 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | S | Bend | cis | -72.8 | 156.6 | -3.4 | 32 | -35.3 | 0 | 0 | 0 | 113.3 | P78 P342 | P78-P80 CarbonylContact O-C 3.56Å; P80-P342 HydrophobicContact CB-CB 4.1Å; P80-P342 HydrophobicContact CG-CB 4.17Å; P80-P342 HydrophobicContact CG-CG 4.35Å |
| 81 | C | 86.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -129.9 | 164.9 | 175.5 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | R77 P78 R83 T340 | R77-C81 HydrophobicContact CB-CB 4.29Å; P78-C81 HydrophobicContact CG-CB 4.44Å; P78-C81 WeakPolarHBondContact O-CB 3.42Å; P78-C81 PolarHBondContact O-N 2.82Å; C81-R83 PolarHBondContact O-N 3.23Å; C81-T340 WeakPolarHBondContact CA-O 3.45Å | ||
| 82 | A | 88.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | trans | -54.1 | 126.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T340 H341 L344 A346 | A82-T340 PolarHBondContact N-O 2.88Å; A82-T340 VanDerWaalsContact N-O 3.09Å; A82-H341 WeakPolarHBondContact CB-O 3.39Å; A82-L344 VanDerWaalsContact CB-O 3.29Å; A82-L344 WeakPolarHBondContact CB-O 3.49Å; A82-A346 HydrophobicContact CB-CB 4.31Å | ||
| 83 | R | 89.1 | Confident | 86.4 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | trans | -128.2 | -24.9 | -176.8 | -72.8 | 177.7 | -176.6 | 170.1 | 1.9 | 115.1 | C81 E85 P90 | C81-R83 PolarHBondContact O-N 3.23Å; R83-E85 PolarHBondContact O-N 3.4Å; R83-P90 VanDerWaalsContact O-CD 3.28Å; R83-P90 WeakPolarHBondContact O-CD 3.43Å | ||
| 84 | L | 92.2 | Very high | 86.5 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | trans | -67.7 | 128.9 | -176.9 | -60 | 175.5 | 0 | 0 | 0 | 109.3 | M88 D89 P345 A346 | L84-M88 WeakPolarHBondContact CA-O 3.41Å; L84-D89 HydrophobicContact CD2-CB 3.62Å; L84-P345 HydrophobicContact CB-CB 4.24Å; L84-P345 CarbonylContact O-C 3.55Å; L84-P345 WeakPolarHBondContact O-CA 3.3Å; L84-P345 WeakPolarHBondContact O-CB 3.43Å; L84-A346 PolarHBondContact O-N 2.8Å | ||
| 85 | E | 93 | Very high | 86.7 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -116.9 | 123.7 | 172.6 | -74.8 | -102.1 | -179.9 | 0 | 0 | 107.5 | R83 W87 M88 I102 N151 H153 A346 D347 | R83-E85 PolarHBondContact O-N 3.4Å; E85-W87 PolarHBondContact O-N 2.9Å; E85-W87 VanDerWaalsContact O-N 3.13Å; E85-M88 PolarHBondContact N-O 2.86Å; E85-M88 WeakPolarHBondContact O-CB 3.1Å; E85-M88 PolarHBondContact O-N 2.74Å; E85-I102 HydrophobicContact CB-CD1 3.76Å; E85-I102 HydrophobicContact CB-CG1 4.03Å; E85-I102 HydrophobicContact CB-CG2 3.91Å; E85-I102 HydrophobicContact CG-CD1 4.44Å; E85-N151 PolarHBondContact OE2-ND2 3.31Å; E85-H153 IonicContact OE1-CE1 3.21Å; E85-H153 IonicContact OE1-CG 2.62Å; E85-H153 IonicContact OE1-ND1 2.9Å; E85-H153 PolarHBondContact OE1-ND1 3.45Å; E85-H153 IonicContact OE2-ND1 3.24Å; E85-A346 HydrophobicContact CG-CB 4.4Å; E85-D347 WeakPolarHBondContact CA-OD1 3.49Å |
| 86 | C | 94.3 | Very high | 87 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.9 | -176.2 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | M88 I102 A105 Q109 D347 | C86-M88 PolarHBondContact O-N 2.99Å; C86-I102 HydrophobicContact CB-CG2 4.18Å; C86-A105 HydrophobicContact CB-CB 4.05Å; C86-Q109 PolarHBondContact O-NE2 3.14Å; C86-D347 WeakPolarHBondContact CA-OD2 3.49Å; C86-D347 PolarHBondContact N-OD1 2.88Å; C86-D347 PolarHBondContact N-OD2 2.86Å; C86-D347 PolarHBondContact SG-OD2 2.89Å |
| 87 | W | 93.3 | Very high | 87.6 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 16.9 | -174.4 | -48.2 | 104 | 0 | 0 | 0 | 115.8 | E85 P345 C351 T355 R358 T359 L362 | E85-W87 PolarHBondContact O-N 2.9Å; E85-W87 VanDerWaalsContact O-N 3.13Å; W87-P345 HydrophobicContact CH2-CG 3.94Å; W87-P345 HydrophobicContact CZ2-CG 4.47Å; W87-P345 HydrophobicContact CZ3-CB 4.44Å; W87-P345 HydrophobicContact CZ3-CG 4.01Å; W87-C351 VanDerWaalsContact CE2-SG 3.57Å; W87-C351 HydrophobicContact CH2-CB 4.48Å; W87-C351 HydrophobicContact CZ2-CB 3.73Å; W87-T355 PolarHBondContact NE1-OG1 2.75Å; W87-R358 VanDerWaalsContact CE2-CD 3.44Å; W87-R358 VanDerWaalsContact CE3-NE 3.33Å; W87-R358 HydrophobicContact CH2-CG 4.27Å; W87-R358 HydrophobicContact CZ2-CB 4.32Å; W87-R358 HydrophobicContact CZ2-CG 3.99Å; W87-T359 WeakPolarHBondContact CZ2-OG1 3.46Å; W87-L362 HydrophobicContact CH2-CD2 3.83Å; W87-L362 HydrophobicContact CZ3-CD2 3.74Å |
| 88 | M | 92 | Very high | 88.2 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 133 | 176.3 | -56.8 | -54.6 | -61.5 | 0 | 0 | 109.9 | L84 E85 C86 P90 I101 I102 A105 | L84-M88 WeakPolarHBondContact CA-O 3.41Å; E85-M88 PolarHBondContact N-O 2.86Å; E85-M88 WeakPolarHBondContact O-CB 3.1Å; E85-M88 PolarHBondContact O-N 2.74Å; C86-M88 PolarHBondContact O-N 2.99Å; M88-P90 WeakPolarHBondContact O-CD 3.48Å; M88-I101 HydrophobicContact CB-CG2 4.4Å; M88-I101 HydrophobicContact CE-CG2 3.41Å; M88-I101 VanDerWaalsContact CE-CG2 3.41Å; M88-I101 HydrophobicContact CG-CG2 3.96Å; M88-I101 HydrophobicContact SD-CG2 4.3Å; M88-I102 HydrophobicContact CB-CG1 4.07Å; M88-A105 HydrophobicContact CG-CB 4.01Å |
| 89 | D | 89.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -87 | 116.1 | 175.4 | -172.8 | -4.1 | 0 | 0 | 0 | 110.6 | L84 Q91 | L84-D89 HydrophobicContact CD2-CB 3.62Å; D89-Q91 VanDerWaalsContact C-N 3.29Å; D89-Q91 PolarHBondContact O-N 3.3Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.33Å; D89-Q91 PolarHBondContact OD1-N 2.88Å | ||
| 90 | P | 87.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | trans | -74.4 | -14 | 177.5 | 29.2 | -33.6 | 0 | 0 | 0 | 113.9 | V68 R83 M88 N92 I93 A98 | V68-P90 HydrophobicContact CG1-CB 3.44Å; V68-P90 VanDerWaalsContact CG1-CB 3.44Å; V68-P90 HydrophobicContact CG1-CG 4.34Å; R83-P90 VanDerWaalsContact O-CD 3.28Å; R83-P90 WeakPolarHBondContact O-CD 3.43Å; M88-P90 WeakPolarHBondContact O-CD 3.48Å; P90-N92 VanDerWaalsContact C-N 3.33Å; P90-N92 PolarHBondContact O-N 2.79Å; P90-I93 PolarHBondContact O-N 2.71Å; P90-A98 HydrophobicContact CB-CB 4.25Å | ||
| 91 | Q | 84.1 | Confident | 89.6 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.8 | -165.9 | -174 | 174.6 | -17 | 0 | 0 | 114.3 | D89 | D89-Q91 VanDerWaalsContact C-N 3.29Å; D89-Q91 PolarHBondContact O-N 3.3Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.33Å; D89-Q91 PolarHBondContact OD1-N 2.88Å |
| 92 | N | 82.9 | Confident | 90.1 | Very high | 145 Ų | 145 | 62 Ų | 62 | 78% | 0.775 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 13.1 | -175.3 | -64.5 | -37.5 | 0 | 0 | 0 | 113.4 | P90 | P90-N92 VanDerWaalsContact C-N 3.33Å; P90-N92 PolarHBondContact O-N 2.79Å |
| 93 | I | 87 | Confident | 90.4 | Very high | 52 Ų | 52 | 62 Ų | 62 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -125.2 | 143.1 | -174.2 | -52.4 | 177.2 | 0 | 0 | 0 | 108.6 | P90 K97 A98 I101 | P90-I93 PolarHBondContact O-N 2.71Å; I93-K97 HydrophobicContact CG2-CB 3.76Å; I93-K97 HydrophobicContact CG2-CD 4.36Å; I93-K97 HydrophobicContact CG2-CG 3.92Å; I93-A98 HydrophobicContact CB-CB 4.14Å; I93-A98 HydrophobicContact CG2-CB 4.04Å; I93-I101 HydrophobicContact CD1-CD1 4.16Å; I93-I101 HydrophobicContact CG2-CD1 4.4Å |
| 94 | S | 88 | Confident | 90.8 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 54% | 0.538 | 31% | 0.31 | S | S | . | . | trans | -61.8 | 144.5 | 173.8 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | Q96 K97 A98 | S94-Q96 VanDerWaalsContact C-N 3.32Å; S94-Q96 PolarHBondContact O-N 2.81Å; S94-Q96 VanDerWaalsContact O-N 3.16Å; S94-K97 PolarHBondContact O-N 3.46Å; S94-K97 WeakPolarHBondContact OG-CB 3.34Å; S94-A98 WeakPolarHBondContact O-CB 3.42Å; S94-A98 PolarHBondContact O-N 3.17Å | ||
| 95 | Q | 85.6 | Confident | 91 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -45.8 | -50.1 | -175.8 | 176.2 | 174.8 | 3.1 | 0 | 0 | 113.6 | N67 V68 K97 A98 I99 | N67-Q95 PolarHBondContact OD1-NE2 2.78Å; V68-Q95 HydrophobicContact CB-CG 4.11Å; V68-Q95 VanDerWaalsContact O-CD 3.32Å; V68-Q95 VanDerWaalsContact O-CG 3.31Å; V68-Q95 WeakPolarHBondContact O-CG 3.39Å; Q95-K97 PolarHBondContact O-N 3.2Å; Q95-A98 PolarHBondContact O-N 3.46Å; Q95-I99 PolarHBondContact O-N 2.75Å |
| 96 | Q | 85.9 | Confident | 91.1 | Very high | 153 Ų | 153 | 59 Ų | 59 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 179.7 | -79.2 | 167.3 | -24 | 0 | 0 | 113.3 | S94 I99 E100 | S94-Q96 VanDerWaalsContact C-N 3.32Å; S94-Q96 PolarHBondContact O-N 2.81Å; S94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-I99 VanDerWaalsContact O-CG2 3.32Å; Q96-I99 WeakPolarHBondContact O-CG2 3.22Å; Q96-E100 WeakPolarHBondContact O-CG 3.38Å; Q96-E100 PolarHBondContact O-N 3.26Å |
| 97 | K | 90.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -77.6 | -32.1 | 179.8 | -170.8 | 169.6 | -175.3 | 176.7 | 0 | 111.5 | I93 S94 Q95 I101 | I93-K97 HydrophobicContact CG2-CB 3.76Å; I93-K97 HydrophobicContact CG2-CD 4.36Å; I93-K97 HydrophobicContact CG2-CG 3.92Å; S94-K97 PolarHBondContact O-N 3.46Å; S94-K97 WeakPolarHBondContact OG-CB 3.34Å; Q95-K97 PolarHBondContact O-N 3.2Å; K97-I101 HydrophobicContact CG-CD1 3.86Å; K97-I101 HydrophobicContact CG-CG1 4.45Å; K97-I101 WeakPolarHBondContact O-CB 3.46Å; K97-I101 VanDerWaalsContact O-CG1 3.24Å; K97-I101 WeakPolarHBondContact O-CG1 3.42Å; K97-I101 PolarHBondContact O-N 3.05Å; K97-I101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 92.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V68 P90 I93 S94 Q95 E100 I101 I102 | V68-A98 HydrophobicContact CG1-CB 4.08Å; V68-A98 HydrophobicContact CG2-CB 4.44Å; P90-A98 HydrophobicContact CB-CB 4.25Å; I93-A98 HydrophobicContact CB-CB 4.14Å; I93-A98 HydrophobicContact CG2-CB 4.04Å; S94-A98 WeakPolarHBondContact O-CB 3.42Å; S94-A98 PolarHBondContact O-N 3.17Å; Q95-A98 PolarHBondContact O-N 3.46Å; A98-E100 PolarHBondContact O-N 3.42Å; A98-I101 PolarHBondContact O-N 3.32Å; A98-I102 WeakPolarHBondContact O-CB 3.43Å; A98-I102 WeakPolarHBondContact O-CD1 3.46Å; A98-I102 VanDerWaalsContact O-CG1 3.23Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.9Å |
| 99 | I | 92.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | -178.9 | -166 | 168.2 | 0 | 0 | 0 | 113 | L66 V68 Q95 Q96 G103 C123 D124 | L66-I99 HydrophobicContact CB-CD1 4.25Å; L66-I99 HydrophobicContact CD1-CG1 4.37Å; V68-I99 HydrophobicContact CG2-CB 4.21Å; Q95-I99 PolarHBondContact O-N 2.75Å; Q96-I99 VanDerWaalsContact O-CG2 3.32Å; Q96-I99 WeakPolarHBondContact O-CG2 3.22Å; I99-G103 PolarHBondContact O-N 2.8Å; I99-C123 HydrophobicContact CD1-CB 3.81Å; I99-C123 HydrophobicContact CG1-CB 3.81Å; I99-C123 HydrophobicContact CG2-CB 4.3Å; I99-D124 HydrophobicContact CD1-CB 4.07Å; I99-D124 WeakPolarHBondContact CD1-OD1 3.43Å; I99-D124 WeakPolarHBondContact CD1-OD2 3.39Å |
| 100 | E | 92.2 | Very high | 91.9 | Very high | 117 Ų | 117 | 60.2 Ų | 60.2 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 174.3 | -74.4 | 179.4 | 178.5 | 0 | 0 | 111.8 | Q96 A98 G103 L104 | Q96-E100 WeakPolarHBondContact O-CG 3.38Å; Q96-E100 PolarHBondContact O-N 3.26Å; A98-E100 PolarHBondContact O-N 3.42Å; E100-G103 PolarHBondContact O-N 3.36Å; E100-L104 WeakPolarHBondContact O-CB 3.18Å; E100-L104 WeakPolarHBondContact O-CG 3.18Å; E100-L104 PolarHBondContact O-N 3.35Å |
| 101 | I | 94.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 178.7 | -72.6 | 171.7 | 0 | 0 | 0 | 110.9 | M88 I93 K97 A98 G103 L104 A105 | M88-I101 HydrophobicContact CB-CG2 4.4Å; M88-I101 HydrophobicContact CE-CG2 3.41Å; M88-I101 VanDerWaalsContact CE-CG2 3.41Å; M88-I101 HydrophobicContact CG-CG2 3.96Å; M88-I101 HydrophobicContact SD-CG2 4.3Å; I93-I101 HydrophobicContact CD1-CD1 4.16Å; I93-I101 HydrophobicContact CG2-CD1 4.4Å; K97-I101 HydrophobicContact CG-CD1 3.86Å; K97-I101 HydrophobicContact CG-CG1 4.45Å; K97-I101 WeakPolarHBondContact O-CB 3.46Å; K97-I101 VanDerWaalsContact O-CG1 3.24Å; K97-I101 WeakPolarHBondContact O-CG1 3.42Å; K97-I101 PolarHBondContact O-N 3.05Å; K97-I101 VanDerWaalsContact O-N 3.08Å; A98-I101 PolarHBondContact O-N 3.32Å; I101-G103 VanDerWaalsContact C-N 3.35Å; I101-L104 PolarHBondContact O-N 3.23Å; I101-A105 WeakPolarHBondContact O-CB 3.33Å; I101-A105 PolarHBondContact O-N 2.91Å |
| 102 | I | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 175.3 | -68.2 | 161.6 | 0 | 0 | 0 | 109.9 | L64 L66 V68 E85 C86 M88 A98 L104 A105 L106 | L64-I102 HydrophobicContact CD1-CG2 4.22Å; L66-I102 HydrophobicContact CD1-CD1 4.17Å; L66-I102 HydrophobicContact CD1-CG2 3.94Å; V68-I102 HydrophobicContact CG2-CD1 4.41Å; E85-I102 HydrophobicContact CB-CD1 3.76Å; E85-I102 HydrophobicContact CB-CG1 4.03Å; E85-I102 HydrophobicContact CB-CG2 3.91Å; E85-I102 HydrophobicContact CG-CD1 4.44Å; C86-I102 HydrophobicContact CB-CG2 4.18Å; M88-I102 HydrophobicContact CB-CG1 4.07Å; A98-I102 WeakPolarHBondContact O-CB 3.43Å; A98-I102 WeakPolarHBondContact O-CD1 3.46Å; A98-I102 VanDerWaalsContact O-CG1 3.23Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.9Å; I102-L104 PolarHBondContact O-N 2.99Å; I102-A105 WeakPolarHBondContact O-CB 3.38Å; I102-A105 PolarHBondContact O-N 3.17Å; I102-L106 PolarHBondContact O-N 2.82Å |
| 103 | G | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L64 I99 E100 I101 A105 L106 Q107 | L64-G103 VanDerWaalsContact CD1-CA 3.45Å; I99-G103 PolarHBondContact O-N 2.8Å; E100-G103 PolarHBondContact O-N 3.36Å; I101-G103 VanDerWaalsContact C-N 3.35Å; G103-A105 VanDerWaalsContact C-N 3.34Å; G103-L106 PolarHBondContact O-N 2.94Å; G103-Q107 PolarHBondContact O-N 2.77Å |
| 104 | L | 96.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 174.3 | -71.6 | 171.7 | 0 | 0 | 0 | 112.3 | E100 I101 I102 K108 | E100-L104 WeakPolarHBondContact O-CB 3.18Å; E100-L104 WeakPolarHBondContact O-CG 3.18Å; E100-L104 PolarHBondContact O-N 3.35Å; I101-L104 PolarHBondContact O-N 3.23Å; I102-L104 PolarHBondContact O-N 2.99Å; L104-K108 WeakPolarHBondContact O-CG 3.32Å; L104-K108 PolarHBondContact O-N 3.1Å; L104-K108 VanDerWaalsContact O-N 3.07Å |
| 105 | A | 96.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 60 Ų | 60 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C86 M88 I101 I102 G103 Q107 K108 Q109 | C86-A105 HydrophobicContact CB-CB 4.05Å; M88-A105 HydrophobicContact CG-CB 4.01Å; I101-A105 WeakPolarHBondContact O-CB 3.33Å; I101-A105 PolarHBondContact O-N 2.91Å; I102-A105 WeakPolarHBondContact O-CB 3.38Å; I102-A105 PolarHBondContact O-N 3.17Å; G103-A105 VanDerWaalsContact C-N 3.34Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; A105-Q107 PolarHBondContact O-N 2.99Å; A105-K108 PolarHBondContact O-N 3.39Å; A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.1Å; A105-Q109 PolarHBondContact O-N 3.28Å |
| 106 | L | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 176.9 | -176.6 | 56.1 | 0 | 0 | 0 | 112 | L62 L64 I102 G103 K108 Q109 Y110 T350 T354 | L62-L106 HydrophobicContact CD1-CG 4.27Å; L62-L106 HydrophobicContact CD2-CD2 4.24Å; L62-L106 HydrophobicContact CD2-CG 4.38Å; L64-L106 HydrophobicContact CD2-CD2 3.77Å; I102-L106 PolarHBondContact O-N 2.82Å; G103-L106 PolarHBondContact O-N 2.94Å; L106-K108 PolarHBondContact O-N 2.8Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 2.96Å; L106-Q109 VanDerWaalsContact O-N 3.15Å; L106-Y110 HydrophobicContact CD1-CD2 3.91Å; L106-Y110 HydrophobicContact CD1-CE2 3.79Å; L106-Y110 HydrophobicContact CG-CD2 4.16Å; L106-Y110 HydrophobicContact CG-CE2 4.25Å; L106-Y110 PolarHBondContact O-N 3.07Å; L106-Y110 VanDerWaalsContact O-N 3.08Å; L106-T350 HydrophobicContact CD1-CG2 3.5Å; L106-T350 VanDerWaalsContact CD1-CG2 3.5Å; L106-T354 HydrophobicContact CD1-CG2 4.29Å |
| 107 | Q | 97.1 | Very high | 94 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -49 | 177 | -175.8 | 179.1 | -39.4 | 0 | 0 | 111.2 | L62 G103 A105 Q109 Y110 E111 Y119 | L62-Q107 HydrophobicContact CD1-CB 3.79Å; L62-Q107 HydrophobicContact CD1-CG 4.3Å; G103-Q107 PolarHBondContact O-N 2.77Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; A105-Q107 PolarHBondContact O-N 2.99Å; Q107-Q109 PolarHBondContact O-N 3.36Å; Q107-Y110 PolarHBondContact O-N 2.86Å; Q107-E111 HydrophobicContact CG-CG 4.32Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.22Å; Q107-E111 PolarHBondContact NE2-OE1 2.98Å; Q107-E111 WeakPolarHBondContact O-CG 3.48Å; Q107-E111 PolarHBondContact O-N 2.99Å; Q107-Y119 HydrophobicContact CG-CD1 3.98Å; Q107-Y119 HydrophobicContact CG-CD2 4.49Å; Q107-Y119 HydrophobicContact CG-CG 3.84Å |
| 108 | K | 96.1 | Very high | 94.2 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.8 | -34.2 | 177 | -77.1 | 177.7 | -179.7 | 178.6 | 0 | 112.8 | L104 A105 L106 R112 | L104-K108 WeakPolarHBondContact O-CG 3.32Å; L104-K108 PolarHBondContact O-N 3.1Å; L104-K108 VanDerWaalsContact O-N 3.07Å; A105-K108 PolarHBondContact O-N 3.39Å; L106-K108 PolarHBondContact O-N 2.8Å; K108-R112 WeakPolarHBondContact O-CG 3.5Å |
| 109 | Q | 96 | Very high | 94.4 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.2 | -63.7 | 167.2 | 4.4 | 0 | 0 | 111.4 | C86 A105 L106 Q107 R112 T354 T355 | C86-Q109 PolarHBondContact O-NE2 3.14Å; A105-Q109 VanDerWaalsContact O-CG 3.28Å; A105-Q109 WeakPolarHBondContact O-CG 3.1Å; A105-Q109 PolarHBondContact O-N 3.28Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 2.96Å; L106-Q109 VanDerWaalsContact O-N 3.15Å; Q107-Q109 PolarHBondContact O-N 3.36Å; Q109-R112 WeakPolarHBondContact O-CB 3.45Å; Q109-R112 PolarHBondContact O-N 3.38Å; Q109-T354 HydrophobicContact CB-CG2 4.47Å; Q109-T354 PolarHBondContact OE1-OG1 3.34Å; Q109-T355 HydrophobicContact CB-CG2 4.5Å; Q109-T355 HydrophobicContact CG-CG2 3.91Å |
| 110 | Y | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 174.5 | -88.6 | -73.7 | 0 | 0 | 0 | 113.5 | L62 L106 Q107 R112 W113 Q114 Y119 L147 H149 T354 L426 L430 | L62-Y110 HydrophobicContact CD2-CD2 3.81Å; L62-Y110 HydrophobicContact CD2-CE2 3.87Å; L106-Y110 HydrophobicContact CD1-CD2 3.91Å; L106-Y110 HydrophobicContact CD1-CE2 3.79Å; L106-Y110 HydrophobicContact CG-CD2 4.16Å; L106-Y110 HydrophobicContact CG-CE2 4.25Å; L106-Y110 PolarHBondContact O-N 3.07Å; L106-Y110 VanDerWaalsContact O-N 3.08Å; Q107-Y110 PolarHBondContact O-N 2.86Å; Y110-R112 PolarHBondContact O-N 2.84Å; Y110-R112 VanDerWaalsContact O-N 3.11Å; Y110-W113 PolarHBondContact O-N 2.98Å; Y110-Q114 PolarHBondContact O-N 2.86Å; Y110-Y119 PolarHBondContact O-OH 3.17Å; Y110-L147 HydrophobicContact CE1-CD1 4.08Å; Y110-L147 HydrophobicContact CE1-CD2 4.35Å; Y110-H149 AromaticContact CE2-ND1 3.56Å; Y110-H149 AromaticContact CZ-ND1 3.62Å; Y110-H149 PolarHBondContact OH-ND1 2.78Å; Y110-T354 HydrophobicContact CD2-CG2 4.19Å; Y110-T354 HydrophobicContact CE1-CG2 4.42Å; Y110-T354 HydrophobicContact CE2-CG2 3.88Å; Y110-L426 HydrophobicContact CD1-CD1 4.32Å; Y110-L430 HydrophobicContact CE1-CD2 4Å |
| 111 | E | 95.2 | Very high | 94.8 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.2 | -26 | 177.5 | -79.1 | 173.8 | 176.4 | 0 | 0 | 112.7 | Q107 W113 Q114 P115 Y119 | Q107-E111 HydrophobicContact CG-CG 4.32Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.22Å; Q107-E111 PolarHBondContact NE2-OE1 2.98Å; Q107-E111 WeakPolarHBondContact O-CG 3.48Å; Q107-E111 PolarHBondContact O-N 2.99Å; E111-W113 VanDerWaalsContact C-N 3.32Å; E111-W113 PolarHBondContact O-N 3.43Å; E111-Q114 CarbonylContact O-C 3.52Å; E111-P115 WeakPolarHBondContact O-CA 3.23Å; E111-P115 WeakPolarHBondContact O-CB 3.47Å; E111-P115 WeakPolarHBondContact O-CD 3.27Å; E111-P115 VanDerWaalsContact O-N 3.1Å; E111-Y119 HydrophobicContact CG-CD2 3.92Å; E111-Y119 HydrophobicContact CG-CE2 3.51Å; E111-Y119 PolarHBondContact N-OH 3Å |
| 112 | R | 91.4 | Very high | 94.8 | Very high | 158 Ų | 158 | 62.8 Ų | 62.8 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.6 | -37.1 | 173.5 | -66.7 | 171.8 | -177.4 | -175.1 | -0.8 | 112.6 | K108 Q109 Y110 | K108-R112 WeakPolarHBondContact O-CG 3.5Å; Q109-R112 WeakPolarHBondContact O-CB 3.45Å; Q109-R112 PolarHBondContact O-N 3.38Å; Y110-R112 PolarHBondContact O-N 2.84Å; Y110-R112 VanDerWaalsContact O-N 3.11Å |
| 113 | W | 89.8 | Confident | 94.7 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -86 | -36.4 | -178.9 | -57.2 | 112.2 | 0 | 0 | 0 | 112.2 | Y110 E111 T354 P356 L426 N433 | Y110-W113 PolarHBondContact O-N 2.98Å; E111-W113 VanDerWaalsContact C-N 3.32Å; E111-W113 PolarHBondContact O-N 3.43Å; W113-T354 PolarHBondContact NE1-O 2.93Å; W113-T354 VanDerWaalsContact NE1-O 3.09Å; W113-P356 HydrophobicContact CH2-CG 4.23Å; W113-P356 HydrophobicContact CZ2-CG 3.98Å; W113-L426 HydrophobicContact CB-CD1 3.61Å; W113-N433 WeakPolarHBondContact CZ2-ND2 3.08Å |
| 114 | Q | 93.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 65 Ų | 65 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | trans | -139.8 | 85.6 | 177.4 | -179 | 56.8 | -72.7 | 0 | 0 | 111.4 | T57 Y110 E111 R116 A117 Y119 L426 | T57-Q114 PolarHBondContact O-NE2 3.46Å; Y110-Q114 PolarHBondContact O-N 2.86Å; E111-Q114 CarbonylContact O-C 3.52Å; Q114-R116 VanDerWaalsContact C-N 3.25Å; Q114-R116 PolarHBondContact O-N 3.49Å; Q114-A117 HydrophobicContact CB-CB 4.48Å; Q114-A117 HydrophobicContact CG-CB 3.55Å; Q114-Y119 PolarHBondContact O-OH 3.33Å; Q114-L426 HydrophobicContact CB-CB 4.33Å; Q114-L426 HydrophobicContact CB-CD1 4.27Å; Q114-L426 HydrophobicContact CB-CD2 4.21Å | ||
| 115 | P | 90.8 | Very high | 94.6 | Very high | 96 Ų | 96 | 60.7 Ų | 60.7 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -18.2 | -174.9 | 26 | -33.6 | 0 | 0 | 0 | 113.5 | E111 | E111-P115 WeakPolarHBondContact O-CA 3.23Å; E111-P115 WeakPolarHBondContact O-CB 3.47Å; E111-P115 WeakPolarHBondContact O-CD 3.27Å; E111-P115 VanDerWaalsContact O-N 3.1Å |
| 116 | R | 91.5 | Very high | 94.6 | Very high | 230 Ų | 230 | 60.4 Ų | 60.4 | 87% | 0.868 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -1 | -174.4 | -63.3 | -179.1 | 68.7 | 177.9 | 2.2 | 114 | Q114 | Q114-R116 VanDerWaalsContact C-N 3.25Å; Q114-R116 PolarHBondContact O-N 3.49Å |
| 117 | A | 93.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -76.8 | 156.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V58 V60 Q114 Y119 | V58-A117 WeakPolarHBondContact O-CA 3.39Å; V60-A117 HydrophobicContact CG2-CB 4.11Å; Q114-A117 HydrophobicContact CB-CB 4.48Å; Q114-A117 HydrophobicContact CG-CB 3.55Å; A117-Y119 HydrophobicContact CB-CE2 3.96Å; A117-Y119 VanDerWaalsContact O-CD2 3.28Å; A117-Y119 WeakPolarHBondContact O-CD2 3.33Å; A117-Y119 WeakPolarHBondContact O-CE2 3.28Å |
| 118 | R | 94.9 | Very high | 94.5 | Very high | 158 Ų | 158 | 64.4 Ų | 64.4 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 119.8 | 170.3 | -68.4 | -175.7 | 179.4 | -165.2 | 0.2 | 110 | V58 S59 V60 | V58-R118 PolarHBondContact O-N 3.02Å; S59-R118 CarbonylContact C-O 3.6Å; S59-R118 WeakPolarHBondContact CA-O 3.34Å; V60-R118 PolarHBondContact N-O 3.25Å |
| 119 | Y | 95.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.2 | 178.8 | -67.2 | -88.3 | 0 | 0 | 0 | 111.3 | V60 L62 Q107 Y110 E111 Q114 A117 | V60-Y119 HydrophobicContact CB-CD1 3.58Å; V60-Y119 HydrophobicContact CB-CE1 3.62Å; V60-Y119 HydrophobicContact CB-CG 4.41Å; V60-Y119 HydrophobicContact CG1-CD1 3.72Å; V60-Y119 HydrophobicContact CG1-CE1 3.73Å; V60-Y119 HydrophobicContact CG2-CD1 4.13Å; V60-Y119 HydrophobicContact CG2-CE1 3.66Å; V60-Y119 CarbonylContact O-C 3.6Å; V60-Y119 WeakPolarHBondContact O-CA 3.46Å; L62-Y119 HydrophobicContact CD1-CD1 4.37Å; Q107-Y119 HydrophobicContact CG-CD1 3.98Å; Q107-Y119 HydrophobicContact CG-CD2 4.49Å; Q107-Y119 HydrophobicContact CG-CG 3.84Å; Y110-Y119 PolarHBondContact O-OH 3.17Å; E111-Y119 HydrophobicContact CG-CD2 3.92Å; E111-Y119 HydrophobicContact CG-CE2 3.51Å; E111-Y119 PolarHBondContact N-OH 3Å; Q114-Y119 PolarHBondContact O-OH 3.33Å; A117-Y119 HydrophobicContact CB-CE2 3.96Å; A117-Y119 VanDerWaalsContact O-CD2 3.28Å; A117-Y119 WeakPolarHBondContact O-CD2 3.33Å; A117-Y119 WeakPolarHBondContact O-CE2 3.28Å |
| 120 | K | 96.2 | Very high | 94.5 | Very high | 103 Ų | 103 | 61.9 Ų | 61.9 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.7 | 172.2 | -168.9 | 73 | 177.9 | -179.9 | 0 | 109 | V60 L62 L137 | V60-K120 PolarHBondContact O-N 3.38Å; L62-K120 PolarHBondContact N-O 3.35Å; K120-L137 HydrophobicContact CB-CD1 4.01Å; K120-L137 HydrophobicContact CB-CD2 4.23Å; K120-L137 HydrophobicContact CB-CG 4.47Å |
| 121 | L | 96.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.7 | 176.3 | -179.1 | 63.7 | 0 | 0 | 0 | 110.5 | L62 L64 | L62-L121 HydrophobicContact CB-CD1 3.94Å; L64-L121 HydrophobicContact CD1-CD1 4.12Å; L64-L121 HydrophobicContact CG-CD1 4.5Å |
| 122 | S | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 106.1 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | L62 L64 | L62-S122 PolarHBondContact O-N 3.19Å; L64-S122 PolarHBondContact N-O 3.24Å |
| 123 | C | 94.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.7 | -176.7 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | I99 | I99-C123 HydrophobicContact CD1-CB 3.81Å; I99-C123 HydrophobicContact CG1-CB 3.81Å; I99-C123 HydrophobicContact CG2-CB 4.3Å |
| 124 | D | 94.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 40.8 | 57.6 | -170.9 | -65.1 | -22.6 | 0 | 0 | 0 | 113.3 | L64 C65 L66 N67 I99 F167 Y171 | L64-D124 WeakPolarHBondContact O-CA 3.29Å; L64-D124 PolarHBondContact O-N 3.15Å; C65-D124 WeakPolarHBondContact CA-OD1 3.42Å; L66-D124 PolarHBondContact N-OD1 3.45Å; N67-D124 PolarHBondContact N-OD1 2.99Å; N67-D124 PolarHBondContact N-OD2 3.37Å; I99-D124 HydrophobicContact CD1-CB 4.07Å; I99-D124 WeakPolarHBondContact CD1-OD1 3.43Å; I99-D124 WeakPolarHBondContact CD1-OD2 3.39Å; D124-F167 HydrophobicContact CB-CD2 3.66Å; D124-F167 HydrophobicContact CB-CE2 3.91Å; D124-F167 WeakPolarHBondContact OD1-CE2 3.48Å; D124-Y171 HydrophobicContact CB-CD1 4.28Å; D124-Y171 HydrophobicContact CB-CE1 3.62Å; D124-Y171 WeakPolarHBondContact O-CE1 3.13Å |
| 125 | P | 95.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | trans | -80.4 | 163.1 | -170.4 | 33 | -35.7 | 0 | 0 | 0 | 113.8 | V63 L64 E129 I130 F167 | V63-P125 HydrophobicContact CG1-CG 3.84Å; L64-P125 WeakPolarHBondContact O-CD 3.49Å; P125-E129 WeakPolarHBondContact CA-OE2 3.47Å; P125-E129 HydrophobicContact CB-CB 4.14Å; P125-I130 HydrophobicContact CB-CG1 4.06Å; P125-I130 HydrophobicContact CG-CD1 3.93Å; P125-I130 HydrophobicContact CG-CG1 3.8Å; P125-F167 PolarHBondContact O-N 3.08Å | ||
| 126 | T | 96.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | trans | -87.6 | 160.3 | 166.2 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | E128 E129 I130 F167 K169 | T126-E128 PolarHBondContact O-N 3.03Å; T126-E128 VanDerWaalsContact O-N 3.16Å; T126-E129 PolarHBondContact N-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.47Å; T126-E129 VanDerWaalsContact OG1-CD 3.3Å; T126-E129 WeakPolarHBondContact OG1-CG 3.35Å; T126-E129 PolarHBondContact OG1-OE2 3.22Å; T126-E129 VanDerWaalsContact OG1-OE2 3.08Å; T126-I130 PolarHBondContact O-N 3.18Å; T126-I130 VanDerWaalsContact O-N 3.13Å; T126-F167 WeakPolarHBondContact CA-O 3.43Å; T126-K169 HydrophobicContact CG2-CB 4.47Å; T126-K169 HydrophobicContact CG2-CG 3.77Å | ||
| 127 | V | 96.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 22% | 0.218 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.3 | -41.5 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | E129 I130 R131 V166 I175 L177 W185 | V127-E129 PolarHBondContact O-N 3.08Å; V127-I130 PolarHBondContact O-N 2.89Å; V127-R131 WeakPolarHBondContact O-CB 3.27Å; V127-R131 PolarHBondContact O-N 3.08Å; V127-V166 HydrophobicContact CG2-CG2 3.45Å; V127-V166 VanDerWaalsContact CG2-CG2 3.45Å; V127-I175 HydrophobicContact CG2-CB 4.48Å; V127-I175 HydrophobicContact CG2-CG2 3.72Å; V127-L177 HydrophobicContact CG1-CD1 4.09Å; V127-L177 HydrophobicContact CG2-CB 4.44Å; V127-W185 HydrophobicContact CG1-CH2 3.99Å |
| 128 | E | 95.5 | Very high | 95.7 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 42% | 0.416 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.5 | -31.9 | -177.4 | -171 | 57.1 | -154.4 | 0 | 0 | 112.8 | T126 K132 | T126-E128 PolarHBondContact O-N 3.03Å; T126-E128 VanDerWaalsContact O-N 3.16Å; E128-K132 WeakPolarHBondContact O-CB 3.26Å; E128-K132 WeakPolarHBondContact O-CG 3.48Å; E128-K132 PolarHBondContact O-N 2.85Å; E128-K132 VanDerWaalsContact O-N 3.08Å; E128-K132 WeakPolarHBondContact OE1-CE 3.34Å; E128-K132 IonicContact OE1-NZ 3.88Å |
| 129 | E | 95.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.4 | -40.6 | 175.4 | -73.1 | 162.6 | 164.9 | 0 | 0 | 111.6 | P125 T126 V127 S133 | P125-E129 WeakPolarHBondContact CA-OE2 3.47Å; P125-E129 HydrophobicContact CB-CB 4.14Å; T126-E129 PolarHBondContact N-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.47Å; T126-E129 VanDerWaalsContact OG1-CD 3.3Å; T126-E129 WeakPolarHBondContact OG1-CG 3.35Å; T126-E129 PolarHBondContact OG1-OE2 3.22Å; T126-E129 VanDerWaalsContact OG1-OE2 3.08Å; V127-E129 PolarHBondContact O-N 3.08Å; E129-S133 VanDerWaalsContact O-CB 3.32Å; E129-S133 WeakPolarHBondContact O-CB 3.18Å; E129-S133 PolarHBondContact O-N 3.47Å; E129-S133 PolarHBondContact O-OG 3.13Å |
| 130 | I | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 173.2 | -65.2 | 174.4 | 0 | 0 | 0 | 109.7 | V63 P125 T126 V127 K132 S133 C134 F148 V166 L177 L182 W185 | V63-I130 HydrophobicContact CG1-CD1 3.95Å; V63-I130 HydrophobicContact CG1-CG1 4.37Å; V63-I130 HydrophobicContact CG2-CG1 4.47Å; P125-I130 HydrophobicContact CB-CG1 4.06Å; P125-I130 HydrophobicContact CG-CD1 3.93Å; P125-I130 HydrophobicContact CG-CG1 3.8Å; T126-I130 PolarHBondContact O-N 3.18Å; T126-I130 VanDerWaalsContact O-N 3.13Å; V127-I130 PolarHBondContact O-N 2.89Å; I130-K132 PolarHBondContact O-N 2.86Å; I130-S133 PolarHBondContact O-N 2.92Å; I130-S133 VanDerWaalsContact O-N 3.1Å; I130-C134 WeakPolarHBondContact O-CB 3.13Å; I130-C134 PolarHBondContact O-N 2.79Å; I130-C134 PolarHBondContact O-SG 3.05Å; I130-F148 HydrophobicContact CG2-CE2 4.2Å; I130-F148 HydrophobicContact CG2-CZ 4.45Å; I130-V166 HydrophobicContact CD1-CB 4.35Å; I130-V166 HydrophobicContact CD1-CG1 3.52Å; I130-L177 HydrophobicContact CD1-CD2 3.88Å; I130-L177 HydrophobicContact CG2-CD2 4.18Å; I130-L182 HydrophobicContact CG2-CD1 4.33Å; I130-W185 HydrophobicContact CG2-CZ3 4.32Å |
| 131 | R | 96.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 49.3 Ų | 49.3 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -51.5 | -53.2 | 178 | -179.1 | -177.7 | -134.8 | 128.7 | 6.3 | 112 | V127 S133 C134 I135 W185 | V127-R131 WeakPolarHBondContact O-CB 3.27Å; V127-R131 PolarHBondContact O-N 3.08Å; R131-S133 VanDerWaalsContact C-N 3.31Å; R131-S133 PolarHBondContact O-N 3.19Å; R131-C134 PolarHBondContact O-N 2.84Å; R131-I135 HydrophobicContact CG-CD1 3.76Å; R131-I135 WeakPolarHBondContact O-CB 3.18Å; R131-I135 VanDerWaalsContact O-CG1 3.28Å; R131-I135 WeakPolarHBondContact O-CG1 3.06Å; R131-I135 PolarHBondContact O-N 3.27Å; R131-W185 HydrophobicContact CB-CD2 4.07Å; R131-W185 HydrophobicContact CB-CE3 3.91Å; R131-W185 HydrophobicContact CB-CH2 3.9Å; R131-W185 HydrophobicContact CB-CZ2 4.07Å; R131-W185 HydrophobicContact CB-CZ3 3.81Å; R131-W185 HydrophobicContact CG-CD2 3.87Å; R131-W185 HydrophobicContact CG-CE3 4.24Å; R131-W185 HydrophobicContact CG-CG 4.35Å; R131-W185 HydrophobicContact CG-CH2 4.28Å; R131-W185 HydrophobicContact CG-CZ2 3.92Å; R131-W185 HydrophobicContact CG-CZ3 4.42Å; R131-W185 VanDerWaalsContact CZ-CZ2 3.47Å |
| 132 | K | 96.2 | Very high | 95.2 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | 179.4 | -75.4 | 173.6 | -179.6 | 168.4 | 0 | 111.9 | E128 I130 S136 | E128-K132 WeakPolarHBondContact O-CB 3.26Å; E128-K132 WeakPolarHBondContact O-CG 3.48Å; E128-K132 PolarHBondContact O-N 2.85Å; E128-K132 VanDerWaalsContact O-N 3.08Å; E128-K132 WeakPolarHBondContact OE1-CE 3.34Å; E128-K132 IonicContact OE1-NZ 3.88Å; I130-K132 PolarHBondContact O-N 2.86Å; K132-S136 WeakPolarHBondContact O-CB 3.26Å; K132-S136 PolarHBondContact O-N 2.92Å |
| 133 | S | 94.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -49.4 | 179.6 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | E129 I130 R131 S136 L137 | E129-S133 VanDerWaalsContact O-CB 3.32Å; E129-S133 WeakPolarHBondContact O-CB 3.18Å; E129-S133 PolarHBondContact O-N 3.47Å; E129-S133 PolarHBondContact O-OG 3.13Å; I130-S133 PolarHBondContact O-N 2.92Å; I130-S133 VanDerWaalsContact O-N 3.1Å; R131-S133 VanDerWaalsContact C-N 3.31Å; R131-S133 PolarHBondContact O-N 3.19Å; S133-S136 PolarHBondContact O-N 2.82Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.38Å; S133-L137 PolarHBondContact O-N 2.82Å |
| 134 | C | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 178.6 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | I130 R131 S136 L137 R138 W185 M186 | I130-C134 WeakPolarHBondContact O-CB 3.13Å; I130-C134 PolarHBondContact O-N 2.79Å; I130-C134 PolarHBondContact O-SG 3.05Å; R131-C134 PolarHBondContact O-N 2.84Å; C134-S136 VanDerWaalsContact C-N 3.31Å; C134-S136 PolarHBondContact O-N 3.29Å; C134-L137 PolarHBondContact O-N 3.15Å; C134-R138 PolarHBondContact O-N 2.88Å; C134-W185 HydrophobicContact CB-CB 3.68Å; C134-M186 HydrophobicContact CB-CG 3.99Å; C134-M186 HydrophobicContact CB-SD 3.69Å |
| 135 | I | 96.2 | Very high | 94.9 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 179.1 | -66.7 | 171.4 | 0 | 0 | 0 | 110.8 | R131 K139 W185 | R131-I135 HydrophobicContact CG-CD1 3.76Å; R131-I135 WeakPolarHBondContact O-CB 3.18Å; R131-I135 VanDerWaalsContact O-CG1 3.28Å; R131-I135 WeakPolarHBondContact O-CG1 3.06Å; R131-I135 PolarHBondContact O-N 3.27Å; I135-K139 VanDerWaalsContact O-CB 3.29Å; I135-K139 WeakPolarHBondContact O-CB 3.43Å; I135-K139 PolarHBondContact O-N 3.01Å; I135-W185 HydrophobicContact CG1-CB 4Å; I135-W185 HydrophobicContact CG1-CG 4.25Å |
| 136 | S | 95.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | K132 S133 C134 N140 | K132-S136 WeakPolarHBondContact O-CB 3.26Å; K132-S136 PolarHBondContact O-N 2.92Å; S133-S136 PolarHBondContact O-N 2.82Å; C134-S136 VanDerWaalsContact C-N 3.31Å; C134-S136 PolarHBondContact O-N 3.29Å; S136-N140 VanDerWaalsContact O-CG 3.3Å; S136-N140 PolarHBondContact O-N 2.83Å; S136-N140 VanDerWaalsContact O-N 3.16Å; S136-N140 PolarHBondContact O-ND2 2.91Å |
| 137 | L | 95.7 | Very high | 95 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 179.9 | -69.1 | 170.8 | 0 | 0 | 0 | 111.8 | A61 K120 S133 C134 K139 N140 A141 V146 | A61-L137 HydrophobicContact CB-CD1 3.61Å; K120-L137 HydrophobicContact CB-CD1 4.01Å; K120-L137 HydrophobicContact CB-CD2 4.23Å; K120-L137 HydrophobicContact CB-CG 4.47Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.38Å; S133-L137 PolarHBondContact O-N 2.82Å; C134-L137 PolarHBondContact O-N 3.15Å; L137-K139 PolarHBondContact O-N 2.79Å; L137-N140 PolarHBondContact O-N 3Å; L137-N140 VanDerWaalsContact O-N 3.15Å; L137-A141 WeakPolarHBondContact O-CB 3.47Å; L137-A141 PolarHBondContact O-N 3.1Å; L137-V146 HydrophobicContact CB-CG1 4.14Å |
| 138 | R | 94.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.5 | 173.1 | 51.2 | 61.4 | -163.4 | -1.2 | 111.5 | C134 N140 A141 K142 E144 M186 G187 T188 P189 | C134-R138 PolarHBondContact O-N 2.88Å; R138-N140 PolarHBondContact O-N 2.85Å; R138-A141 PolarHBondContact O-N 2.86Å; R138-A141 VanDerWaalsContact O-N 3.16Å; R138-K142 PolarHBondContact NH1-O 3.07Å; R138-K142 PolarHBondContact O-N 2.91Å; R138-E144 PolarHBondContact NH1-O 2.77Å; R138-M186 PolarHBondContact NE-O 3.34Å; R138-M186 PolarHBondContact NH2-O 2.98Å; R138-G187 PolarHBondContact NH2-O 2.86Å; R138-T188 PolarHBondContact NH1-O 2.81Å; R138-P189 PolarHBondContact NH2-O 3.33Å |
| 139 | K | 94.4 | Very high | 95.2 | Very high | 173 Ų | 173 | 54.5 Ų | 54.5 | 75% | 0.752 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.9 | -36.3 | 177.1 | -174.9 | 177.7 | 179.7 | 178.8 | 0 | 112.5 | I135 L137 | I135-K139 VanDerWaalsContact O-CB 3.29Å; I135-K139 WeakPolarHBondContact O-CB 3.43Å; I135-K139 PolarHBondContact O-N 3.01Å; L137-K139 PolarHBondContact O-N 2.79Å |
| 140 | N | 92.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.3 | -36.7 | 178.1 | -70.8 | -38 | 0 | 0 | 0 | 113.1 | S136 L137 R138 | S136-N140 VanDerWaalsContact O-CG 3.3Å; S136-N140 PolarHBondContact O-N 2.83Å; S136-N140 VanDerWaalsContact O-N 3.16Å; S136-N140 PolarHBondContact O-ND2 2.91Å; L137-N140 PolarHBondContact O-N 3Å; L137-N140 VanDerWaalsContact O-N 3.15Å; R138-N140 PolarHBondContact O-N 2.85Å |
| 141 | A | 93.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.2 | -24.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V58 L137 R138 D143 E144 V146 | V58-A141 HydrophobicContact CG2-CB 3.63Å; L137-A141 WeakPolarHBondContact O-CB 3.47Å; L137-A141 PolarHBondContact O-N 3.1Å; R138-A141 PolarHBondContact O-N 2.86Å; R138-A141 VanDerWaalsContact O-N 3.16Å; A141-D143 PolarHBondContact O-N 3.47Å; A141-D143 VanDerWaalsContact O-N 3.14Å; A141-E144 WeakPolarHBondContact O-CB 3.5Å; A141-E144 PolarHBondContact O-N 2.92Å; A141-V146 HydrophobicContact CB-CG2 3.46Å; A141-V146 VanDerWaalsContact CB-CG2 3.46Å |
| 142 | K | 92.2 | Very high | 95.3 | Very high | 151 Ų | 151 | 45.7 Ų | 45.7 | 66% | 0.657 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -114.5 | -172.6 | -55.4 | 178.9 | -179.8 | -178.2 | 0 | 110 | R138 | R138-K142 PolarHBondContact NH1-O 3.07Å; R138-K142 PolarHBondContact O-N 2.91Å |
| 143 | D | 88.9 | Confident | 95.2 | Very high | 138 Ų | 138 | 39.7 Ų | 39.7 | 74% | 0.738 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.5 | -177.1 | -47.7 | -50.8 | 0 | 0 | 0 | 112.7 | A141 P189 | A141-D143 PolarHBondContact O-N 3.47Å; A141-D143 VanDerWaalsContact O-N 3.14Å; D143-P189 WeakPolarHBondContact O-CD 3.4Å; D143-P189 VanDerWaalsContact O-CG 3.26Å; D143-P189 WeakPolarHBondContact O-CG 3.45Å |
| 144 | E | 93 | Very high | 95.1 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -78.7 | 163.7 | 174.9 | -65.1 | -77.6 | -165.7 | 0 | 0 | 111.8 | K56 V58 R138 A141 | K56-E144 PolarHBondContact N-OE2 3.34Å; V58-E144 HydrophobicContact CB-CB 4.37Å; V58-E144 HydrophobicContact CG1-CB 3.92Å; V58-E144 HydrophobicContact CG1-CG 4.01Å; V58-E144 HydrophobicContact CG2-CB 3.53Å; V58-E144 HydrophobicContact CG2-CG 4.3Å; R138-E144 PolarHBondContact NH1-O 2.77Å; A141-E144 WeakPolarHBondContact O-CB 3.5Å; A141-E144 PolarHBondContact O-N 2.92Å |
| 145 | R | 94.7 | Very high | 95 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 141 | -175.8 | -169.1 | 179.8 | -63.8 | -87.7 | 8 | 111.8 | M55 K56 T57 V58 P189 G190 I191 | M55-R145 HydrophobicContact CG-CB 4.21Å; M55-R145 HydrophobicContact SD-CB 4.04Å; M55-R145 VanDerWaalsContact SD-CZ 3.53Å; M55-R145 PolarHBondContact SD-NE 2.77Å; M55-R145 VanDerWaalsContact SD-NE 3.45Å; M55-R145 PolarHBondContact SD-NH2 3.09Å; K56-R145 PolarHBondContact O-N 2.79Å; T57-R145 WeakPolarHBondContact CA-O 3.39Å; T57-R145 WeakPolarHBondContact OG1-CD 3.48Å; V58-R145 PolarHBondContact N-O 2.97Å; V58-R145 VanDerWaalsContact N-O 3.14Å; R145-P189 WeakPolarHBondContact CA-O 3.34Å; R145-P189 HydrophobicContact CB-CG 4.37Å; R145-G190 PolarHBondContact NH1-O 2.71Å; R145-I191 HydrophobicContact CG-CG2 4.11Å |
| 146 | V | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.9 | 171.8 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | S59 L137 A141 M186 P189 G190 I191 | S59-V146 WeakPolarHBondContact O-CA 3.25Å; L137-V146 HydrophobicContact CB-CG1 4.14Å; A141-V146 HydrophobicContact CB-CG2 3.46Å; A141-V146 VanDerWaalsContact CB-CG2 3.46Å; V146-M186 HydrophobicContact CB-CE 3.76Å; V146-M186 HydrophobicContact CG1-CE 3.41Å; V146-M186 VanDerWaalsContact CG1-CE 3.41Å; V146-M186 HydrophobicContact CG1-SD 4.34Å; V146-P189 PolarHBondContact N-O 2.62Å; V146-G190 WeakPolarHBondContact O-CA 3.18Å; V146-I191 PolarHBondContact O-N 2.97Å |
| 147 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.8 | 173.4 | -173.4 | 144 | 0 | 0 | 0 | 111.1 | T57 S59 V60 A61 Y110 H149 I191 L426 L430 | T57-L147 HydrophobicContact CG2-CB 4.02Å; S59-L147 PolarHBondContact O-N 3.35Å; V60-L147 CarbonylContact C-O 3.57Å; V60-L147 WeakPolarHBondContact CA-O 3.48Å; V60-L147 HydrophobicContact CG1-CB 4.39Å; V60-L147 HydrophobicContact CG1-CD2 3.66Å; V60-L147 HydrophobicContact CG2-CB 4.14Å; A61-L147 PolarHBondContact N-O 3.08Å; Y110-L147 HydrophobicContact CE1-CD1 4.08Å; Y110-L147 HydrophobicContact CE1-CD2 4.35Å; L147-H149 HydrophobicContact CD2-CB 3.9Å; L147-I191 CarbonylContact C-O 3.57Å; L147-I191 WeakPolarHBondContact CA-O 3.43Å; L147-I191 HydrophobicContact CB-CG2 3.6Å; L147-I191 HydrophobicContact CD1-CG2 3.87Å; L147-I191 HydrophobicContact CG-CG2 3.8Å; L147-L426 HydrophobicContact CD1-CD2 4.02Å; L147-L430 HydrophobicContact CD1-CD1 3.57Å |
| 148 | F | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108.1 | 172 | -175.3 | -93.1 | 0 | 0 | 0 | 109.3 | A61 V63 I130 L182 M186 I191 Y192 V193 W194 | A61-F148 HydrophobicContact CB-CD2 3.89Å; V63-F148 HydrophobicContact CB-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 4.42Å; V63-F148 HydrophobicContact CG2-CE2 3.6Å; V63-F148 HydrophobicContact CG2-CZ 3.79Å; I130-F148 HydrophobicContact CG2-CE2 4.2Å; I130-F148 HydrophobicContact CG2-CZ 4.45Å; F148-L182 HydrophobicContact CD1-CD2 4.22Å; F148-L182 HydrophobicContact CD2-CD1 4.26Å; F148-L182 HydrophobicContact CE1-CD1 4.42Å; F148-L182 HydrophobicContact CE1-CD2 3.73Å; F148-L182 HydrophobicContact CE2-CD1 3.79Å; F148-L182 HydrophobicContact CZ-CD1 3.88Å; F148-L182 HydrophobicContact CZ-CD2 3.94Å; F148-M186 HydrophobicContact CB-CE 3.8Å; F148-M186 HydrophobicContact CB-SD 4.49Å; F148-M186 HydrophobicContact CD2-CE 4.49Å; F148-M186 HydrophobicContact CD2-SD 4.13Å; F148-I191 PolarHBondContact N-O 3.38Å; F148-Y192 HydrophobicContact CB-CD1 3.76Å; F148-Y192 HydrophobicContact CB-CE1 4.01Å; F148-Y192 AromaticContact CD1-CD1 3.91Å; F148-Y192 HydrophobicContact CD1-CD1 3.91Å; F148-Y192 HydrophobicContact CD1-CE1 4.44Å; F148-Y192 HydrophobicContact CG-CD1 4.13Å; F148-Y192 HydrophobicContact CG-CE1 4.36Å; F148-Y192 CarbonylContact O-C 3.58Å; F148-Y192 WeakPolarHBondContact O-CA 3.4Å; F148-V193 PolarHBondContact O-N 2.82Å; F148-W194 HydrophobicContact CD1-CH2 4.35Å; F148-W194 HydrophobicContact CD1-CZ3 4.33Å; F148-W194 HydrophobicContact CE1-CH2 4.27Å; F148-W194 HydrophobicContact CE1-CZ3 4Å |
| 149 | H | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.1 | 174.1 | -173.2 | 115.4 | 0 | 0 | 0 | 109 | A61 L62 V63 Y110 L147 V193 T350 | A61-H149 PolarHBondContact O-N 3.13Å; L62-H149 HydrophobicContact CD2-CB 3.81Å; V63-H149 PolarHBondContact N-O 2.87Å; Y110-H149 AromaticContact CE2-ND1 3.56Å; Y110-H149 AromaticContact CZ-ND1 3.62Å; Y110-H149 PolarHBondContact OH-ND1 2.78Å; L147-H149 HydrophobicContact CD2-CB 3.9Å; H149-V193 HydrophobicContact CB-CB 4.44Å; H149-T350 PolarHBondContact CE1-OG1 2.85Å; H149-T350 PolarHBondContact NE2-OG1 3.47Å |
| 150 | Y | 98.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.3 | 175.6 | 173.2 | -100.8 | 0 | 0 | 0 | 109.9 | V63 C65 V155 I164 W165 V193 W194 D195 C196 | V63-Y150 HydrophobicContact CB-CD2 4.44Å; V63-Y150 HydrophobicContact CG1-CD2 3.93Å; V63-Y150 WeakPolarHBondContact O-CA 3.39Å; C65-Y150 HydrophobicContact CB-CE2 4.36Å; Y150-V155 VanDerWaalsContact OH-CG2 3.31Å; Y150-V155 WeakPolarHBondContact OH-CG2 3.5Å; Y150-I164 HydrophobicContact CD2-CD1 4.18Å; Y150-I164 HydrophobicContact CE1-CB 4.33Å; Y150-I164 HydrophobicContact CE1-CG2 4.47Å; Y150-I164 HydrophobicContact CE2-CD1 4.16Å; Y150-I164 HydrophobicContact CG-CD1 4.46Å; Y150-W165 PolarHBondContact OH-N 3.24Å; Y150-W165 PolarHBondContact OH-O 3Å; Y150-V193 PolarHBondContact N-O 3.47Å; Y150-W194 AromaticContact CD1-CE3 3.87Å; Y150-W194 HydrophobicContact CD1-CE3 3.87Å; Y150-W194 HydrophobicContact CD1-CZ3 4.29Å; Y150-W194 HydrophobicContact CG-CE3 4.15Å; Y150-W194 HydrophobicContact CG-CZ3 4.25Å; Y150-D195 PolarHBondContact O-N 3.09Å; Y150-C196 HydrophobicContact CE1-CB 4.41Å |
| 151 | N | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.1 | 169.1 | 178.1 | -26.8 | 0 | 0 | 0 | 108.5 | V63 L64 C65 L66 E85 H153 D195 | V63-N151 PolarHBondContact O-N 3.44Å; L64-N151 HydrophobicContact CD2-CB 3.65Å; C65-N151 PolarHBondContact N-O 3Å; L66-N151 WeakPolarHBondContact CD2-OD1 3.17Å; E85-N151 PolarHBondContact OE2-ND2 3.31Å; N151-H153 PolarHBondContact OD1-CD2 3.49Å; N151-H153 PolarHBondContact OD1-N 3Å; N151-H153 PolarHBondContact OD1-ND1 3.05Å; N151-D195 CarbonylContact C-O 3.55Å; N151-D195 WeakPolarHBondContact CA-O 3.24Å; N151-D195 HydrophobicContact CB-CB 4.49Å |
| 152 | G | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -115 | 36.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G154 V155 D195 | G152-G154 VanDerWaalsContact C-N 3.33Å; G152-G154 PolarHBondContact O-N 3.48Å; G152-V155 WeakPolarHBondContact O-CG2 3.34Å; G152-D195 PolarHBondContact N-O 3.34Å | ||
| 153 | H | 94 | Very high | 94.9 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.9 | -177.6 | -66 | 164.1 | 0 | 0 | 0 | 115.6 | C65 L66 R77 E85 N151 D195 L338 A346 | C65-H153 PolarHBondContact O-N 3.22Å; L66-H153 HydrophobicContact CD2-CB 3.98Å; R77-H153 PolarHBondContact NH2-O 3.5Å; E85-H153 IonicContact OE1-CE1 3.21Å; E85-H153 IonicContact OE1-CG 2.62Å; E85-H153 IonicContact OE1-ND1 2.9Å; E85-H153 PolarHBondContact OE1-ND1 3.45Å; E85-H153 IonicContact OE2-ND1 3.24Å; N151-H153 PolarHBondContact OD1-CD2 3.49Å; N151-H153 PolarHBondContact OD1-N 3Å; N151-H153 PolarHBondContact OD1-ND1 3.05Å; H153-D195 IonicContact NE2-OD1 2.76Å; H153-L338 WeakPolarHBondContact NE2-CD1 3.42Å; H153-A346 PolarHBondContact CE1-O 2.95Å |
| 154 | G | 92.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C65 L66 G152 Y174 | C65-G154 WeakPolarHBondContact O-CA 3.45Å; C65-G154 PolarHBondContact O-N 3.02Å; L66-G154 VanDerWaalsContact O-CA 3.23Å; L66-G154 WeakPolarHBondContact O-CA 3.26Å; G152-G154 VanDerWaalsContact C-N 3.33Å; G152-G154 PolarHBondContact O-N 3.48Å; G154-Y174 WeakPolarHBondContact O-CE1 3.3Å; G154-Y174 PolarHBondContact O-OH 2.92Å |
| 155 | V | 94.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -132.2 | 163.6 | -174.2 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | C65 Y150 G152 W165 F167 Y174 | C65-V155 HydrophobicContact CB-CG1 3.88Å; C65-V155 HydrophobicContact CB-CG2 4.18Å; Y150-V155 VanDerWaalsContact OH-CG2 3.31Å; Y150-V155 WeakPolarHBondContact OH-CG2 3.5Å; G152-V155 WeakPolarHBondContact O-CG2 3.34Å; V155-W165 HydrophobicContact CB-CB 3.77Å; V155-W165 HydrophobicContact CG1-CB 4.44Å; V155-W165 HydrophobicContact CG2-CB 3.97Å; V155-F167 HydrophobicContact CG1-CE1 3.91Å; V155-F167 HydrophobicContact CG1-CE2 3.75Å; V155-F167 HydrophobicContact CG1-CZ 3.33Å; V155-Y174 HydrophobicContact CB-CD1 4.11Å; V155-Y174 HydrophobicContact CB-CE1 4.21Å; V155-Y174 HydrophobicContact CG1-CD1 3.78Å; V155-Y174 HydrophobicContact CG1-CE1 3.87Å |
| 156 | P | 94 | Very high | 95.5 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 163.9 | 178.5 | -22.4 | 33.8 | 0 | 0 | 0 | 114.5 | D74 W165 Y174 | D74-P156 VanDerWaalsContact OD1-CA 3.32Å; D74-P156 WeakPolarHBondContact OD1-CA 3.41Å; D74-P156 WeakPolarHBondContact OD2-CA 3.48Å; P156-W165 HydrophobicContact CB-CG 4.31Å; P156-W165 HydrophobicContact CG-CG 4.43Å; P156-Y174 HydrophobicContact CG-CD2 4.01Å; P156-Y174 HydrophobicContact CG-CE2 4.34Å; P156-Y174 HydrophobicContact CG-CG 4.16Å |
| 157 | K | 94.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 28% | 0.278 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 147.6 | 176.8 | -64.6 | 172.9 | -165.5 | -179.5 | 0 | 111.9 | D74 W165 N197 E337 | D74-K157 WeakPolarHBondContact OD2-CG 3.47Å; D74-K157 PolarHBondContact OD2-N 3.12Å; K157-W165 PolarHBondContact O-NE1 3.19Å; K157-W165 VanDerWaalsContact O-NE1 3.16Å; K157-N197 HydrophobicContact CD-CB 4.16Å; K157-N197 HydrophobicContact CG-CB 3.7Å; K157-E337 IonicContact NZ-OE1 2.89Å; K157-E337 PolarHBondContact NZ-OE1 3.27Å |
| 158 | P | 96 | Very high | 95.2 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 143.3 | 174.5 | -24.1 | 33.7 | 0 | 0 | 0 | 113 | E163 I164 N197 M201 A202 | P158-E163 CarbonylContact C-O 3.6Å; P158-E163 WeakPolarHBondContact CA-O 3.35Å; P158-I164 HydrophobicContact CB-CG2 4.4Å; P158-I164 HydrophobicContact CG-CG2 4.44Å; P158-N197 WeakPolarHBondContact CD-O 3.13Å; P158-M201 HydrophobicContact CB-CB 4.16Å; P158-A202 HydrophobicContact CB-CB 4.31Å; P158-A202 HydrophobicContact CG-CB 4.24Å |
| 159 | T | 94.5 | Very high | 94.8 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -84.9 | 160.8 | -175.6 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | N161 G162 E163 W165 | T159-N161 PolarHBondContact O-N 2.83Å; T159-N161 PolarHBondContact OG1-N 3.31Å; T159-G162 PolarHBondContact O-N 2.69Å; T159-E163 HydrophobicContact CG2-CB 4.23Å; T159-E163 PolarHBondContact N-O 3.21Å; T159-E163 WeakPolarHBondContact OG1-CB 3.33Å; T159-E163 PolarHBondContact OG1-N 2.91Å; T159-E163 PolarHBondContact OG1-OE2 3.43Å; T159-W165 HydrophobicContact CG2-CZ2 3.95Å |
| 160 | K | 91.6 | Very high | 94.3 | Very high | 187 Ų | 187 | 43.7 Ų | 43.7 | 81% | 0.813 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.6 | 173 | -65.1 | -176.9 | 179.3 | 179.8 | 0 | 113.8 | G162 M201 | K160-G162 VanDerWaalsContact C-N 3.25Å; K160-G162 PolarHBondContact O-N 3.14Å; K160-M201 HydrophobicContact CB-CE 4.06Å; K160-M201 HydrophobicContact CG-CE 3.69Å |
| 161 | N | 91.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 49.4 Ų | 49.4 | 71% | 0.711 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 0.8 | -179.6 | -61.4 | -16.6 | 0 | 0 | 0 | 112.8 | T159 E163 | T159-N161 PolarHBondContact O-N 2.83Å; T159-N161 PolarHBondContact OG1-N 3.31Å; N161-E163 HydrophobicContact CB-CG 4.45Å |
| 162 | G | 93.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 79.6 | 43.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T159 K160 I179 | T159-G162 PolarHBondContact O-N 2.69Å; K160-G162 VanDerWaalsContact C-N 3.25Å; K160-G162 PolarHBondContact O-N 3.14Å; G162-I179 VanDerWaalsContact O-CB 3.29Å; G162-I179 WeakPolarHBondContact O-CB 3.49Å; G162-I179 VanDerWaalsContact O-CG1 3.23Å; G162-I179 WeakPolarHBondContact O-CG1 3.34Å; G162-I179 PolarHBondContact O-N 3.03Å |
| 163 | E | 96.9 | Very high | 93 | Very high | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.3 | 175.9 | -55 | 157.5 | 137.2 | 0 | 0 | 110.3 | P158 T159 N161 P176 L177 | P158-E163 CarbonylContact C-O 3.6Å; P158-E163 WeakPolarHBondContact CA-O 3.35Å; T159-E163 HydrophobicContact CG2-CB 4.23Å; T159-E163 PolarHBondContact N-O 3.21Å; T159-E163 WeakPolarHBondContact OG1-CB 3.33Å; T159-E163 PolarHBondContact OG1-N 2.91Å; T159-E163 PolarHBondContact OG1-OE2 3.43Å; N161-E163 HydrophobicContact CB-CG 4.45Å; E163-P176 HydrophobicContact CB-CB 4.23Å; E163-L177 CarbonylContact C-O 3.59Å; E163-L177 VanDerWaalsContact CA-O 3.31Å; E163-L177 WeakPolarHBondContact CA-O 3.17Å |
| 164 | I | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 162.1 | 168.5 | 60.9 | 178.4 | 0 | 0 | 0 | 109.4 | Y150 P158 L177 I179 L182 W194 A202 | Y150-I164 HydrophobicContact CD2-CD1 4.18Å; Y150-I164 HydrophobicContact CE1-CB 4.33Å; Y150-I164 HydrophobicContact CE1-CG2 4.47Å; Y150-I164 HydrophobicContact CE2-CD1 4.16Å; Y150-I164 HydrophobicContact CG-CD1 4.46Å; P158-I164 HydrophobicContact CB-CG2 4.4Å; P158-I164 HydrophobicContact CG-CG2 4.44Å; I164-L177 HydrophobicContact CD1-CD2 3.97Å; I164-L177 HydrophobicContact CD1-CG 4.46Å; I164-L177 HydrophobicContact CG1-CB 3.99Å; I164-L177 HydrophobicContact CG1-CD2 4.07Å; I164-L177 HydrophobicContact CG1-CG 4.11Å; I164-L177 PolarHBondContact N-O 3.21Å; I164-L177 PolarHBondContact O-N 2.8Å; I164-I179 HydrophobicContact CG2-CD1 4.23Å; I164-I179 HydrophobicContact CG2-CG1 4.25Å; I164-L182 HydrophobicContact CD1-CD2 4.25Å; I164-W194 HydrophobicContact CD1-CH2 4.5Å; I164-W194 HydrophobicContact CD1-CZ3 3.9Å; I164-W194 HydrophobicContact CG2-CZ3 4.23Å; I164-A202 HydrophobicContact CG2-CB 4.42Å |
| 165 | W | 96.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 65 Ų | 65 | 21% | 0.212 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141.5 | -174.4 | -65.4 | 94.7 | 0 | 0 | 0 | 112.4 | Y150 V155 P156 K157 T159 Y174 P176 | Y150-W165 PolarHBondContact OH-N 3.24Å; Y150-W165 PolarHBondContact OH-O 3Å; V155-W165 HydrophobicContact CB-CB 3.77Å; V155-W165 HydrophobicContact CG1-CB 4.44Å; V155-W165 HydrophobicContact CG2-CB 3.97Å; P156-W165 HydrophobicContact CB-CG 4.31Å; P156-W165 HydrophobicContact CG-CG 4.43Å; K157-W165 PolarHBondContact O-NE1 3.19Å; K157-W165 VanDerWaalsContact O-NE1 3.16Å; T159-W165 HydrophobicContact CG2-CZ2 3.95Å; W165-Y174 WeakPolarHBondContact CZ3-O 3.32Å; W165-P176 HydrophobicContact CE3-CB 4.26Å; W165-P176 HydrophobicContact CH2-CB 4.29Å; W165-P176 HydrophobicContact CZ3-CB 4.06Å; W165-P176 HydrophobicContact CZ3-CG 4.24Å |
| 166 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | -177.6 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | V127 I130 Y174 I175 L177 | V127-V166 HydrophobicContact CG2-CG2 3.45Å; V127-V166 VanDerWaalsContact CG2-CG2 3.45Å; I130-V166 HydrophobicContact CD1-CB 4.35Å; I130-V166 HydrophobicContact CD1-CG1 3.52Å; V166-Y174 CarbonylContact O-C 3.57Å; V166-Y174 WeakPolarHBondContact O-CA 3.42Å; V166-I175 HydrophobicContact CG2-CB 4.22Å; V166-I175 PolarHBondContact N-O 2.95Å; V166-I175 PolarHBondContact O-N 3.15Å; V166-L177 HydrophobicContact CG1-CB 4.36Å; V166-L177 HydrophobicContact CG1-CD2 4.19Å; V166-L177 HydrophobicContact CG2-CB 4.44Å |
| 167 | F | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 158.6 | -176.4 | -62.5 | -77.3 | 0 | 0 | 0 | 113.2 | C65 N67 D124 P125 T126 V155 Y171 Y174 | C65-F167 HydrophobicContact CB-CE2 3.86Å; N67-F167 HydrophobicContact CB-CE1 3.89Å; N67-F167 HydrophobicContact CB-CE2 4.46Å; N67-F167 HydrophobicContact CB-CZ 3.57Å; D124-F167 HydrophobicContact CB-CD2 3.66Å; D124-F167 HydrophobicContact CB-CE2 3.91Å; D124-F167 WeakPolarHBondContact OD1-CE2 3.48Å; P125-F167 PolarHBondContact O-N 3.08Å; T126-F167 WeakPolarHBondContact CA-O 3.43Å; V155-F167 HydrophobicContact CG1-CE1 3.91Å; V155-F167 HydrophobicContact CG1-CE2 3.75Å; V155-F167 HydrophobicContact CG1-CZ 3.33Å; F167-Y171 HydrophobicContact CB-CD1 3.83Å; F167-Y171 HydrophobicContact CB-CE1 4.2Å; F167-Y171 HydrophobicContact CD1-CD1 4.25Å; F167-Y171 AromaticContact CG-CD1 3.95Å; F167-Y171 HydrophobicContact CG-CD1 3.95Å; F167-Y171 HydrophobicContact CG-CE1 4.47Å; F167-Y174 HydrophobicContact CD1-CD1 4.23Å; F167-Y174 HydrophobicContact CD1-CE1 4.33Å; F167-Y174 AromaticContact CE1-CD1 3.83Å; F167-Y174 HydrophobicContact CE1-CD1 3.83Å; F167-Y174 AromaticContact CE1-CE1 3.54Å; F167-Y174 HydrophobicContact CE1-CE1 3.54Å; F167-Y174 HydrophobicContact CZ-CE1 4.22Å |
| 168 | N | 93.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | trans | -83.4 | 168 | 158 | 72.9 | -3.8 | 0 | 0 | 0 | 110.5 | M170 Y171 T172 Q173 I175 | N168-M170 PolarHBondContact O-N 3.3Å; N168-M170 PolarHBondContact OD1-N 3.03Å; N168-Y171 PolarHBondContact O-N 2.65Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; N168-Y171 WeakPolarHBondContact OD1-CA 3.47Å; N168-Y171 PolarHBondContact OD1-N 3.37Å; N168-T172 PolarHBondContact ND2-OG1 3.03Å; N168-T172 PolarHBondContact OD1-N 3.18Å; N168-Q173 PolarHBondContact N-O 2.96Å; N168-Q173 PolarHBondContact OD1-N 3.35Å; N168-I175 HydrophobicContact CB-CD1 4.12Å; N168-I175 HydrophobicContact CB-CG1 3.88Å | ||
| 169 | K | 89 | Confident | 93.6 | Very high | 169 Ų | 169 | 65.1 Ų | 65.1 | 74% | 0.735 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.9 | -178 | -69.5 | -175.6 | 178.6 | 179.4 | 0 | 114.8 | T126 | T126-K169 HydrophobicContact CG2-CB 4.47Å; T126-K169 HydrophobicContact CG2-CG 3.77Å |
| 170 | M | 88.4 | Confident | 93.7 | Very high | 145 Ų | 145 | 65.7 Ų | 65.7 | 71% | 0.714 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 1.5 | -175.6 | -60.9 | -59.4 | -63.1 | 0 | 0 | 112.8 | N168 T172 | N168-M170 PolarHBondContact O-N 3.3Å; N168-M170 PolarHBondContact OD1-N 3.03Å; M170-T172 HydrophobicContact CB-CG2 4.03Å; M170-T172 PolarHBondContact O-N 2.79Å; M170-T172 VanDerWaalsContact O-N 3.14Å |
| 171 | Y | 86.7 | Confident | 93.9 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 48% | 0.478 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 54.1 | 26.6 | -175 | -48.5 | -73.3 | 0 | 0 | 0 | 114.5 | D124 F167 N168 | D124-Y171 HydrophobicContact CB-CD1 4.28Å; D124-Y171 HydrophobicContact CB-CE1 3.62Å; D124-Y171 WeakPolarHBondContact O-CE1 3.13Å; F167-Y171 HydrophobicContact CB-CD1 3.83Å; F167-Y171 HydrophobicContact CB-CE1 4.2Å; F167-Y171 HydrophobicContact CD1-CD1 4.25Å; F167-Y171 AromaticContact CG-CD1 3.95Å; F167-Y171 HydrophobicContact CG-CD1 3.95Å; F167-Y171 HydrophobicContact CG-CE1 4.47Å; N168-Y171 PolarHBondContact O-N 2.65Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; N168-Y171 WeakPolarHBondContact OD1-CA 3.47Å; N168-Y171 PolarHBondContact OD1-N 3.37Å |
| 172 | T | 87.4 | Confident | 94.2 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 63% | 0.632 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -95.8 | -20.1 | -178.9 | 56 | 0 | 0 | 0 | 0 | 113.4 | N168 M170 | N168-T172 PolarHBondContact ND2-OG1 3.03Å; N168-T172 PolarHBondContact OD1-N 3.18Å; M170-T172 HydrophobicContact CB-CG2 4.03Å; M170-T172 PolarHBondContact O-N 2.79Å; M170-T172 VanDerWaalsContact O-N 3.14Å |
| 173 | Q | 89.8 | Confident | 94.3 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -140.9 | 142.6 | -175.9 | -65.2 | 176.6 | -13.9 | 0 | 0 | 110.6 | N168 I175 | N168-Q173 PolarHBondContact N-O 2.96Å; N168-Q173 PolarHBondContact OD1-N 3.35Å; Q173-I175 HydrophobicContact CB-CD1 4.31Å |
| 174 | Y | 94.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128.6 | 165.4 | -54.4 | -70 | 0 | 0 | 0 | 109.1 | P73 G154 V155 P156 W165 V166 F167 | P73-Y174 HydrophobicContact CG-CE2 4.46Å; G154-Y174 WeakPolarHBondContact O-CE1 3.3Å; G154-Y174 PolarHBondContact O-OH 2.92Å; V155-Y174 HydrophobicContact CB-CD1 4.11Å; V155-Y174 HydrophobicContact CB-CE1 4.21Å; V155-Y174 HydrophobicContact CG1-CD1 3.78Å; V155-Y174 HydrophobicContact CG1-CE1 3.87Å; P156-Y174 HydrophobicContact CG-CD2 4.01Å; P156-Y174 HydrophobicContact CG-CE2 4.34Å; P156-Y174 HydrophobicContact CG-CG 4.16Å; W165-Y174 WeakPolarHBondContact CZ3-O 3.32Å; V166-Y174 CarbonylContact O-C 3.57Å; V166-Y174 WeakPolarHBondContact O-CA 3.42Å; F167-Y174 HydrophobicContact CD1-CD1 4.23Å; F167-Y174 HydrophobicContact CD1-CE1 4.33Å; F167-Y174 AromaticContact CE1-CD1 3.83Å; F167-Y174 HydrophobicContact CE1-CD1 3.83Å; F167-Y174 AromaticContact CE1-CE1 3.54Å; F167-Y174 HydrophobicContact CE1-CE1 3.54Å; F167-Y174 HydrophobicContact CZ-CE1 4.22Å |
| 175 | I | 96.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | -178.6 | -56.1 | -59.3 | 0 | 0 | 0 | 108.6 | V127 V166 N168 Q173 | V127-I175 HydrophobicContact CG2-CB 4.48Å; V127-I175 HydrophobicContact CG2-CG2 3.72Å; V166-I175 HydrophobicContact CG2-CB 4.22Å; V166-I175 PolarHBondContact N-O 2.95Å; V166-I175 PolarHBondContact O-N 3.15Å; N168-I175 HydrophobicContact CB-CD1 4.12Å; N168-I175 HydrophobicContact CB-CG1 3.88Å; Q173-I175 HydrophobicContact CB-CD1 4.31Å |
| 176 | P | 96 | Very high | 94 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133 | 176.3 | 30.2 | -32.5 | 0 | 0 | 0 | 110.3 | E163 W165 | E163-P176 HydrophobicContact CB-CB 4.23Å; W165-P176 HydrophobicContact CE3-CB 4.26Å; W165-P176 HydrophobicContact CH2-CB 4.29Å; W165-P176 HydrophobicContact CZ3-CB 4.06Å; W165-P176 HydrophobicContact CZ3-CG 4.24Å |
| 177 | L | 97.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.9 | 173.9 | 169.1 | 62 | 0 | 0 | 0 | 108.8 | V127 I130 E163 I164 V166 W185 | V127-L177 HydrophobicContact CG1-CD1 4.09Å; V127-L177 HydrophobicContact CG2-CB 4.44Å; I130-L177 HydrophobicContact CD1-CD2 3.88Å; I130-L177 HydrophobicContact CG2-CD2 4.18Å; E163-L177 CarbonylContact C-O 3.59Å; E163-L177 VanDerWaalsContact CA-O 3.31Å; E163-L177 WeakPolarHBondContact CA-O 3.17Å; I164-L177 HydrophobicContact CD1-CD2 3.97Å; I164-L177 HydrophobicContact CD1-CG 4.46Å; I164-L177 HydrophobicContact CG1-CB 3.99Å; I164-L177 HydrophobicContact CG1-CD2 4.07Å; I164-L177 HydrophobicContact CG1-CG 4.11Å; I164-L177 PolarHBondContact N-O 3.21Å; I164-L177 PolarHBondContact O-N 2.8Å; V166-L177 HydrophobicContact CG1-CB 4.36Å; V166-L177 HydrophobicContact CG1-CD2 4.19Å; V166-L177 HydrophobicContact CG2-CB 4.44Å; L177-W185 HydrophobicContact CD1-CH2 3.55Å; L177-W185 HydrophobicContact CD1-CZ3 3.59Å |
| 178 | S | 96.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.5 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | F180 D181 L182 | S178-F180 PolarHBondContact O-N 2.92Å; S178-F180 WeakPolarHBondContact OG-CB 3.33Å; S178-F180 PolarHBondContact OG-N 2.9Å; S178-D181 PolarHBondContact O-N 2.86Å; S178-L182 PolarHBondContact O-N 3.41Å; S178-L182 VanDerWaalsContact O-N 3.15Å |
| 179 | I | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -29.6 | 173 | -65.9 | 172.2 | 0 | 0 | 0 | 110.7 | G162 I164 D181 L182 Q183 A202 F206 | G162-I179 VanDerWaalsContact O-CB 3.29Å; G162-I179 WeakPolarHBondContact O-CB 3.49Å; G162-I179 VanDerWaalsContact O-CG1 3.23Å; G162-I179 WeakPolarHBondContact O-CG1 3.34Å; G162-I179 PolarHBondContact O-N 3.03Å; I164-I179 HydrophobicContact CG2-CD1 4.23Å; I164-I179 HydrophobicContact CG2-CG1 4.25Å; I179-D181 PolarHBondContact O-N 2.96Å; I179-L182 PolarHBondContact O-N 2.81Å; I179-Q183 HydrophobicContact CG2-CG 4.42Å; I179-Q183 WeakPolarHBondContact O-CG 2.85Å; I179-Q183 PolarHBondContact O-N 3.5Å; I179-A202 HydrophobicContact CD1-CB 4.18Å; I179-A202 WeakPolarHBondContact CD1-O 3.47Å; I179-F206 HydrophobicContact CG2-CB 3.98Å; I179-F206 HydrophobicContact CG2-CD2 3.64Å; I179-F206 HydrophobicContact CG2-CG 4.17Å |
| 180 | F | 95.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.8 | -177.8 | -89.3 | 0 | 0 | 0 | 111.9 | S178 Q183 S184 C209 Q212 H213 E216 | S178-F180 PolarHBondContact O-N 2.92Å; S178-F180 WeakPolarHBondContact OG-CB 3.33Å; S178-F180 PolarHBondContact OG-N 2.9Å; F180-Q183 PolarHBondContact O-N 2.92Å; F180-S184 PolarHBondContact O-N 2.91Å; F180-S184 PolarHBondContact O-OG 3.14Å; F180-C209 HydrophobicContact CB-CB 4.07Å; F180-C209 HydrophobicContact CD2-CB 4.13Å; F180-Q212 HydrophobicContact CD2-CB 4.37Å; F180-Q212 HydrophobicContact CD2-CG 4.26Å; F180-Q212 HydrophobicContact CE2-CB 4.11Å; F180-Q212 HydrophobicContact CE2-CG 3.77Å; F180-H213 AromaticContact CD1-NE2 3.89Å; F180-H213 AromaticContact CD2-CD2 3.62Å; F180-H213 AromaticContact CD2-CE1 3.98Å; F180-H213 AromaticContact CD2-NE2 3.39Å; F180-H213 WeakPolarHBondContact CD2-NE2 3.49Å; F180-H213 AromaticContact CE1-CE1 3.57Å; F180-H213 AromaticContact CE1-NE2 3.81Å; F180-H213 AromaticContact CE2-CD2 3.49Å; F180-H213 VanDerWaalsContact CE2-CD2 3.49Å; F180-H213 WeakPolarHBondContact CE2-CD2 3.48Å; F180-H213 AromaticContact CE2-CE1 3.43Å; F180-H213 VanDerWaalsContact CE2-CE1 3.43Å; F180-H213 WeakPolarHBondContact CE2-CE1 3.32Å; F180-H213 AromaticContact CE2-CG 3.73Å; F180-H213 AromaticContact CE2-ND1 3.75Å; F180-H213 AromaticContact CE2-NE2 3.3Å; F180-H213 VanDerWaalsContact CE2-NE2 3.3Å; F180-H213 WeakPolarHBondContact CE2-NE2 3.24Å; F180-H213 AromaticContact CG-NE2 3.69Å; F180-H213 AromaticContact CZ-CE1 3.21Å; F180-H213 WeakPolarHBondContact CZ-CE1 3.26Å; F180-H213 AromaticContact CZ-ND1 3.68Å; F180-H213 AromaticContact CZ-NE2 3.53Å; F180-H213 PolarHBondContact O-NE2 2.82Å; F180-H213 VanDerWaalsContact O-NE2 3.13Å; F180-E216 WeakPolarHBondContact CZ-OE2 3.44Å |
| 181 | D | 96.3 | Very high | 94.3 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 177.2 | -73 | -29.8 | 0 | 0 | 0 | 111.3 | S178 I179 Q183 S184 W185 | S178-D181 PolarHBondContact O-N 2.86Å; I179-D181 PolarHBondContact O-N 2.96Å; D181-Q183 VanDerWaalsContact C-N 3.32Å; D181-Q183 PolarHBondContact O-N 3.04Å; D181-S184 WeakPolarHBondContact O-CB 3.33Å; D181-S184 PolarHBondContact O-N 3.25Å; D181-S184 VanDerWaalsContact O-N 3.11Å; D181-W185 HydrophobicContact CB-CH2 4.12Å; D181-W185 HydrophobicContact CB-CZ2 3.64Å; D181-W185 VanDerWaalsContact O-CD1 3.31Å; D181-W185 VanDerWaalsContact O-CG 3.23Å; D181-W185 PolarHBondContact O-N 3.35Å; D181-W185 PolarHBondContact O-NE1 3.41Å |
| 182 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 176.7 | 178.7 | 63.4 | 0 | 0 | 0 | 111.5 | I130 F148 I164 S178 I179 S184 W185 M186 Y192 W194 | I130-L182 HydrophobicContact CG2-CD1 4.33Å; F148-L182 HydrophobicContact CD1-CD2 4.22Å; F148-L182 HydrophobicContact CD2-CD1 4.26Å; F148-L182 HydrophobicContact CE1-CD1 4.42Å; F148-L182 HydrophobicContact CE1-CD2 3.73Å; F148-L182 HydrophobicContact CE2-CD1 3.79Å; F148-L182 HydrophobicContact CZ-CD1 3.88Å; F148-L182 HydrophobicContact CZ-CD2 3.94Å; I164-L182 HydrophobicContact CD1-CD2 4.25Å; S178-L182 PolarHBondContact O-N 3.41Å; S178-L182 VanDerWaalsContact O-N 3.15Å; I179-L182 PolarHBondContact O-N 2.81Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.46Å; L182-W185 HydrophobicContact CD1-CE3 4.42Å; L182-W185 PolarHBondContact O-N 2.9Å; L182-M186 HydrophobicContact CD1-CG 3.88Å; L182-M186 HydrophobicContact CG-CG 4.38Å; L182-M186 WeakPolarHBondContact O-CB 3.45Å; L182-M186 WeakPolarHBondContact O-CG 3.15Å; L182-M186 PolarHBondContact O-N 2.91Å; L182-Y192 HydrophobicContact CD2-CE1 4.42Å; L182-Y192 HydrophobicContact CG-CE1 4.5Å; L182-W194 HydrophobicContact CD2-CH2 3.82Å; L182-W194 HydrophobicContact CD2-CZ3 4.47Å |
| 183 | Q | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 174 | -78 | 176.1 | -17.3 | 0 | 0 | 111.4 | I179 F180 D181 W185 M186 G187 F206 H213 F323 | I179-Q183 HydrophobicContact CG2-CG 4.42Å; I179-Q183 WeakPolarHBondContact O-CG 2.85Å; I179-Q183 PolarHBondContact O-N 3.5Å; F180-Q183 PolarHBondContact O-N 2.92Å; D181-Q183 VanDerWaalsContact C-N 3.32Å; D181-Q183 PolarHBondContact O-N 3.04Å; Q183-W185 VanDerWaalsContact C-N 3.33Å; Q183-W185 PolarHBondContact O-N 2.82Å; Q183-M186 PolarHBondContact O-N 3Å; Q183-G187 PolarHBondContact O-N 2.78Å; Q183-F206 HydrophobicContact CG-CD2 3.99Å; Q183-F206 HydrophobicContact CG-CE1 4.39Å; Q183-F206 HydrophobicContact CG-CE2 3.45Å; Q183-F206 VanDerWaalsContact CG-CE2 3.45Å; Q183-F206 HydrophobicContact CG-CZ 3.69Å; Q183-F206 VanDerWaalsContact NE2-CD2 3.28Å; Q183-F206 VanDerWaalsContact NE2-CE2 3.32Å; Q183-F206 PolarHBondContact NE2-O 2.96Å; Q183-H213 PolarHBondContact OE1-CD2 3.48Å; Q183-F323 HydrophobicContact CB-CD1 4.11Å; Q183-F323 HydrophobicContact CB-CE1 3.95Å; Q183-F323 HydrophobicContact CB-CZ 4.33Å; Q183-F323 HydrophobicContact CG-CD1 4.37Å; Q183-F323 VanDerWaalsContact O-CE1 3.25Å; Q183-F323 WeakPolarHBondContact O-CE1 3.44Å |
| 184 | S | 94.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 22.9 Ų | 22.9 | 42% | 0.42 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.3 | -38 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | F180 D181 L182 H213 | F180-S184 PolarHBondContact O-N 2.91Å; F180-S184 PolarHBondContact O-OG 3.14Å; D181-S184 WeakPolarHBondContact O-CB 3.33Å; D181-S184 PolarHBondContact O-N 3.25Å; D181-S184 VanDerWaalsContact O-N 3.11Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.46Å; S184-H213 PolarHBondContact OG-CE1 2.83Å; S184-H213 PolarHBondContact OG-NE2 2.86Å |
| 185 | W | 95.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 20 Ų | 20 | 7% | 0.072 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -75.7 | -37.8 | 179.6 | -53.9 | -20.1 | 0 | 0 | 0 | 112.6 | V127 I130 R131 C134 I135 L177 D181 L182 Q183 | V127-W185 HydrophobicContact CG1-CH2 3.99Å; I130-W185 HydrophobicContact CG2-CZ3 4.32Å; R131-W185 HydrophobicContact CB-CD2 4.07Å; R131-W185 HydrophobicContact CB-CE3 3.91Å; R131-W185 HydrophobicContact CB-CH2 3.9Å; R131-W185 HydrophobicContact CB-CZ2 4.07Å; R131-W185 HydrophobicContact CB-CZ3 3.81Å; R131-W185 HydrophobicContact CG-CD2 3.87Å; R131-W185 HydrophobicContact CG-CE3 4.24Å; R131-W185 HydrophobicContact CG-CG 4.35Å; R131-W185 HydrophobicContact CG-CH2 4.28Å; R131-W185 HydrophobicContact CG-CZ2 3.92Å; R131-W185 HydrophobicContact CG-CZ3 4.42Å; R131-W185 VanDerWaalsContact CZ-CZ2 3.47Å; C134-W185 HydrophobicContact CB-CB 3.68Å; I135-W185 HydrophobicContact CG1-CB 4Å; I135-W185 HydrophobicContact CG1-CG 4.25Å; L177-W185 HydrophobicContact CD1-CH2 3.55Å; L177-W185 HydrophobicContact CD1-CZ3 3.59Å; D181-W185 HydrophobicContact CB-CH2 4.12Å; D181-W185 HydrophobicContact CB-CZ2 3.64Å; D181-W185 VanDerWaalsContact O-CD1 3.31Å; D181-W185 VanDerWaalsContact O-CG 3.23Å; D181-W185 PolarHBondContact O-N 3.35Å; D181-W185 PolarHBondContact O-NE1 3.41Å; L182-W185 HydrophobicContact CD1-CE3 4.42Å; L182-W185 PolarHBondContact O-N 2.9Å; Q183-W185 VanDerWaalsContact C-N 3.33Å; Q183-W185 PolarHBondContact O-N 2.82Å |
| 186 | M | 94.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -81.9 | -24.8 | -177 | -76.9 | -67.3 | -61.6 | 0 | 0 | 113.5 | C134 R138 V146 F148 L182 Q183 Y192 | C134-M186 HydrophobicContact CB-CG 3.99Å; C134-M186 HydrophobicContact CB-SD 3.69Å; R138-M186 PolarHBondContact NE-O 3.34Å; R138-M186 PolarHBondContact NH2-O 2.98Å; V146-M186 HydrophobicContact CB-CE 3.76Å; V146-M186 HydrophobicContact CG1-CE 3.41Å; V146-M186 VanDerWaalsContact CG1-CE 3.41Å; V146-M186 HydrophobicContact CG1-SD 4.34Å; F148-M186 HydrophobicContact CB-CE 3.8Å; F148-M186 HydrophobicContact CB-SD 4.49Å; F148-M186 HydrophobicContact CD2-CE 4.49Å; F148-M186 HydrophobicContact CD2-SD 4.13Å; L182-M186 HydrophobicContact CD1-CG 3.88Å; L182-M186 HydrophobicContact CG-CG 4.38Å; L182-M186 WeakPolarHBondContact O-CB 3.45Å; L182-M186 WeakPolarHBondContact O-CG 3.15Å; L182-M186 PolarHBondContact O-N 2.91Å; Q183-M186 PolarHBondContact O-N 3Å; M186-Y192 HydrophobicContact CB-CE1 4.45Å; M186-Y192 WeakPolarHBondContact CB-OH 3.23Å; M186-Y192 HydrophobicContact CG-CE1 4.3Å |
| 187 | G | 92 | Very high | 95.7 | Very high | 15 Ų | 15 | 15.4 Ų | 15.4 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | trans | 58.6 | -168.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R138 Q183 | R138-G187 PolarHBondContact NH2-O 2.86Å; Q183-G187 PolarHBondContact O-N 2.78Å | ||
| 188 | T | 91.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 15.4 Ų | 15.4 | 27% | 0.27 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -119.8 | 144.8 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | R138 F323 | R138-T188 PolarHBondContact NH1-O 2.81Å; T188-F323 HydrophobicContact CG2-CD1 3.47Å; T188-F323 VanDerWaalsContact CG2-CD1 3.47Å; T188-F323 HydrophobicContact CG2-CE1 3.77Å; T188-F323 HydrophobicContact CG2-CG 4.05Å |
| 189 | P | 92.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 13.7 Ų | 13.7 | 16% | 0.162 | 8% | 0.082 | C | C | . | . | S | Bend | cis | -83.1 | 142.2 | -0.1 | 30 | -31.2 | 0 | 0 | 0 | 113.3 | M55 R138 D143 R145 V146 | M55-P189 HydrophobicContact SD-CB 3.84Å; M55-P189 HydrophobicContact SD-CG 3.69Å; R138-P189 PolarHBondContact NH2-O 3.33Å; D143-P189 WeakPolarHBondContact O-CD 3.4Å; D143-P189 VanDerWaalsContact O-CG 3.26Å; D143-P189 WeakPolarHBondContact O-CG 3.45Å; R145-P189 WeakPolarHBondContact CA-O 3.34Å; R145-P189 HydrophobicContact CB-CG 4.37Å; V146-P189 PolarHBondContact N-O 2.62Å |
| 190 | G | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | R145 V146 C326 I327 | R145-G190 PolarHBondContact NH1-O 2.71Å; V146-G190 WeakPolarHBondContact O-CA 3.18Å; G190-C326 PolarHBondContact N-SG 2.92Å; G190-C326 VanDerWaalsContact N-SG 3.44Å; G190-C326 WeakPolarHBondContact O-CA 3.5Å; G190-I327 PolarHBondContact O-N 2.88Å; G190-I327 VanDerWaalsContact O-N 3.08Å |
| 191 | I | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.4 | 167.6 | 178.7 | 168.7 | 0 | 0 | 0 | 110 | R145 V146 L147 F148 I327 V427 L430 | R145-I191 HydrophobicContact CG-CG2 4.11Å; V146-I191 PolarHBondContact O-N 2.97Å; L147-I191 CarbonylContact C-O 3.57Å; L147-I191 WeakPolarHBondContact CA-O 3.43Å; L147-I191 HydrophobicContact CB-CG2 3.6Å; L147-I191 HydrophobicContact CD1-CG2 3.87Å; L147-I191 HydrophobicContact CG-CG2 3.8Å; F148-I191 PolarHBondContact N-O 3.38Å; I191-I327 CarbonylContact C-O 3.43Å; I191-I327 VanDerWaalsContact CA-O 3.27Å; I191-I327 WeakPolarHBondContact CA-O 3.33Å; I191-I327 HydrophobicContact CB-CB 4.15Å; I191-I327 HydrophobicContact CD1-CB 4.25Å; I191-I327 HydrophobicContact CD1-CG2 3.77Å; I191-I327 HydrophobicContact CG1-CB 3.96Å; I191-I327 HydrophobicContact CG1-CG2 3.81Å; I191-V427 HydrophobicContact CD1-CG2 4.14Å; I191-L430 HydrophobicContact CD1-CD1 3.81Å |
| 192 | Y | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.2 | -174.1 | -59.6 | -97.3 | 0 | 0 | 0 | 110.7 | F148 L182 M186 W194 F206 C326 I327 Q328 L329 | F148-Y192 HydrophobicContact CB-CD1 3.76Å; F148-Y192 HydrophobicContact CB-CE1 4.01Å; F148-Y192 AromaticContact CD1-CD1 3.91Å; F148-Y192 HydrophobicContact CD1-CD1 3.91Å; F148-Y192 HydrophobicContact CD1-CE1 4.44Å; F148-Y192 HydrophobicContact CG-CD1 4.13Å; F148-Y192 HydrophobicContact CG-CE1 4.36Å; F148-Y192 CarbonylContact O-C 3.58Å; F148-Y192 WeakPolarHBondContact O-CA 3.4Å; L182-Y192 HydrophobicContact CD2-CE1 4.42Å; L182-Y192 HydrophobicContact CG-CE1 4.5Å; M186-Y192 HydrophobicContact CB-CE1 4.45Å; M186-Y192 WeakPolarHBondContact CB-OH 3.23Å; M186-Y192 HydrophobicContact CG-CE1 4.3Å; Y192-W194 HydrophobicContact CD1-CH2 4.06Å; Y192-W194 AromaticContact CD1-CZ2 3.79Å; Y192-W194 HydrophobicContact CD1-CZ2 3.79Å; Y192-W194 AromaticContact CG-CZ2 4Å; Y192-W194 HydrophobicContact CG-CZ2 4Å; Y192-F206 HydrophobicContact CD1-CE2 4.14Å; Y192-F206 AromaticContact CD2-CE2 3.71Å; Y192-F206 HydrophobicContact CD2-CE2 3.71Å; Y192-F206 AromaticContact CD2-CZ 3.85Å; Y192-F206 HydrophobicContact CD2-CZ 3.85Å; Y192-F206 AromaticContact CE1-CE2 3.87Å; Y192-F206 HydrophobicContact CE1-CE2 3.87Å; Y192-F206 AromaticContact CE2-CE2 3.43Å; Y192-F206 HydrophobicContact CE2-CE2 3.43Å; Y192-F206 VanDerWaalsContact CE2-CE2 3.43Å; Y192-F206 AromaticContact CE2-CZ 3.39Å; Y192-F206 HydrophobicContact CE2-CZ 3.39Å; Y192-F206 HydrophobicContact CG-CE2 4.08Å; Y192-F206 AromaticContact CZ-CE2 3.51Å; Y192-F206 AromaticContact CZ-CZ 3.83Å; Y192-C326 HydrophobicContact CD2-CB 4.48Å; Y192-C326 HydrophobicContact CE2-CB 4.09Å; Y192-I327 PolarHBondContact N-O 2.94Å; Y192-Q328 HydrophobicContact CD2-CG 4.45Å; Y192-Q328 CarbonylContact O-C 3.45Å; Y192-Q328 WeakPolarHBondContact O-CA 3.49Å; Y192-L329 PolarHBondContact O-N 2.82Å |
| 193 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.7 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | F148 H149 Y150 L329 F349 L353 | F148-V193 PolarHBondContact O-N 2.82Å; H149-V193 HydrophobicContact CB-CB 4.44Å; Y150-V193 PolarHBondContact N-O 3.47Å; V193-L329 CarbonylContact C-O 3.5Å; V193-L329 WeakPolarHBondContact CA-O 3.37Å; V193-L329 HydrophobicContact CG2-CD1 4.48Å; V193-F349 HydrophobicContact CG1-CD1 4.46Å; V193-F349 HydrophobicContact CG1-CE1 3.88Å; V193-L353 HydrophobicContact CG1-CD1 3.76Å |
| 194 | W | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 99.4 | -176.2 | -50.9 | 110.8 | 0 | 0 | 0 | 110.1 | F148 Y150 I164 L182 Y192 A199 A202 F206 L329 A330 A331 | F148-W194 HydrophobicContact CD1-CH2 4.35Å; F148-W194 HydrophobicContact CD1-CZ3 4.33Å; F148-W194 HydrophobicContact CE1-CH2 4.27Å; F148-W194 HydrophobicContact CE1-CZ3 4Å; Y150-W194 AromaticContact CD1-CE3 3.87Å; Y150-W194 HydrophobicContact CD1-CE3 3.87Å; Y150-W194 HydrophobicContact CD1-CZ3 4.29Å; Y150-W194 HydrophobicContact CG-CE3 4.15Å; Y150-W194 HydrophobicContact CG-CZ3 4.25Å; I164-W194 HydrophobicContact CD1-CH2 4.5Å; I164-W194 HydrophobicContact CD1-CZ3 3.9Å; I164-W194 HydrophobicContact CG2-CZ3 4.23Å; L182-W194 HydrophobicContact CD2-CH2 3.82Å; L182-W194 HydrophobicContact CD2-CZ3 4.47Å; Y192-W194 HydrophobicContact CD1-CH2 4.06Å; Y192-W194 AromaticContact CD1-CZ2 3.79Å; Y192-W194 HydrophobicContact CD1-CZ2 3.79Å; Y192-W194 AromaticContact CG-CZ2 4Å; Y192-W194 HydrophobicContact CG-CZ2 4Å; W194-A199 HydrophobicContact CB-CB 4.09Å; W194-A202 HydrophobicContact CD2-CB 3.93Å; W194-A202 HydrophobicContact CE3-CB 4.25Å; W194-A202 HydrophobicContact CG-CB 4.11Å; W194-F206 HydrophobicContact CZ2-CD2 4.23Å; W194-L329 PolarHBondContact N-O 3.19Å; W194-A330 HydrophobicContact CB-CB 4.2Å; W194-A330 WeakPolarHBondContact O-CA 3.21Å; W194-A331 PolarHBondContact O-N 2.93Å |
| 195 | D | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 89.9 | 175.2 | -157.5 | 4.9 | 0 | 0 | 0 | 110.4 | Y150 N151 G152 H153 A331 F349 T350 | Y150-D195 PolarHBondContact O-N 3.09Å; N151-D195 CarbonylContact C-O 3.55Å; N151-D195 WeakPolarHBondContact CA-O 3.24Å; N151-D195 HydrophobicContact CB-CB 4.49Å; G152-D195 PolarHBondContact N-O 3.34Å; H153-D195 IonicContact NE2-OD1 2.76Å; D195-A331 WeakPolarHBondContact OD1-CB 3.36Å; D195-F349 HydrophobicContact CB-CD1 4.27Å; D195-T350 VanDerWaalsContact OD2-CB 3.32Å; D195-T350 WeakPolarHBondContact OD2-CB 3.34Å; D195-T350 PolarHBondContact OD2-N 3.17Å; D195-T350 PolarHBondContact OD2-OG1 2.98Å |
| 196 | C | 95.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -161.4 | 166.2 | 179.1 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | Y150 A199 C332 | Y150-C196 HydrophobicContact CE1-CB 4.41Å; C196-A199 WeakPolarHBondContact O-CB 3.48Å; C196-A199 PolarHBondContact O-N 3Å; C196-C332 PolarHBondContact O-SG 3.45Å |
| 197 | N | 94 | Very high | 95.5 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 140 | 170.2 | -68.6 | -49.5 | 0 | 0 | 0 | 110.5 | V75 K157 P158 A199 E337 L338 | V75-N197 VanDerWaalsContact CG2-ND2 3.29Å; V75-N197 WeakPolarHBondContact CG2-ND2 3.34Å; K157-N197 HydrophobicContact CD-CB 4.16Å; K157-N197 HydrophobicContact CG-CB 3.7Å; P158-N197 WeakPolarHBondContact CD-O 3.13Å; N197-A199 VanDerWaalsContact C-N 3.26Å; N197-A199 PolarHBondContact O-N 3.42Å; N197-E337 WeakPolarHBondContact OD1-CA 3.4Å; N197-L338 WeakPolarHBondContact OD1-CG 3.34Å; N197-L338 PolarHBondContact OD1-N 2.59Å |
| 198 | G | 93.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 24.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G200 M201 C332 Q336 | G198-G200 PolarHBondContact O-N 3.44Å; G198-M201 VanDerWaalsContact O-CB 3.29Å; G198-M201 WeakPolarHBondContact O-CB 3.27Å; G198-M201 PolarHBondContact O-N 3.49Å; G198-C332 PolarHBondContact N-SG 3.27Å; G198-Q336 PolarHBondContact N-O 2.84Å |
| 199 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W194 C196 N197 M201 A202 V203 A330 C332 | W194-A199 HydrophobicContact CB-CB 4.09Å; C196-A199 WeakPolarHBondContact O-CB 3.48Å; C196-A199 PolarHBondContact O-N 3Å; N197-A199 VanDerWaalsContact C-N 3.26Å; N197-A199 PolarHBondContact O-N 3.42Å; A199-M201 PolarHBondContact O-N 2.88Å; A199-M201 VanDerWaalsContact O-N 3.12Å; A199-A202 WeakPolarHBondContact O-CB 3.31Å; A199-A202 PolarHBondContact O-N 2.93Å; A199-V203 PolarHBondContact O-N 3.26Å; A199-A330 HydrophobicContact CB-CB 3.79Å; A199-C332 PolarHBondContact N-SG 3.06Å |
| 200 | G | 95.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.6 | -23.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G198 V203 K204 C332 | G198-G200 PolarHBondContact O-N 3.44Å; G200-V203 PolarHBondContact O-N 3.19Å; G200-K204 WeakPolarHBondContact O-CG 3.45Å; G200-K204 PolarHBondContact O-N 2.58Å; G200-K204 VanDerWaalsContact O-N 3.15Å; G200-C332 PolarHBondContact N-O 3.5Å |
| 201 | M | 95.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 21 Ų | 21 | 15% | 0.153 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.3 | -36.8 | 171.8 | -72.5 | -54.2 | -49.8 | 0 | 0 | 112.5 | P158 K160 G198 A199 V203 K204 G205 A334 | P158-M201 HydrophobicContact CB-CB 4.16Å; K160-M201 HydrophobicContact CB-CE 4.06Å; K160-M201 HydrophobicContact CG-CE 3.69Å; G198-M201 VanDerWaalsContact O-CB 3.29Å; G198-M201 WeakPolarHBondContact O-CB 3.27Å; G198-M201 PolarHBondContact O-N 3.49Å; A199-M201 PolarHBondContact O-N 2.88Å; A199-M201 VanDerWaalsContact O-N 3.12Å; M201-V203 VanDerWaalsContact C-N 3.32Å; M201-V203 PolarHBondContact O-N 3.17Å; M201-K204 PolarHBondContact O-N 2.99Å; M201-K204 HydrophobicContact SD-CD 4.29Å; M201-G205 PolarHBondContact O-N 2.93Å; M201-A334 HydrophobicContact CG-CB 3.69Å; M201-A334 HydrophobicContact SD-CB 3.46Å; M201-A334 WeakPolarHBondContact SD-CB 3.39Å |
| 202 | A | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P158 I164 I179 W194 A199 G205 F206 | P158-A202 HydrophobicContact CB-CB 4.31Å; P158-A202 HydrophobicContact CG-CB 4.24Å; I164-A202 HydrophobicContact CG2-CB 4.42Å; I179-A202 HydrophobicContact CD1-CB 4.18Å; I179-A202 WeakPolarHBondContact CD1-O 3.47Å; W194-A202 HydrophobicContact CD2-CB 3.93Å; W194-A202 HydrophobicContact CE3-CB 4.25Å; W194-A202 HydrophobicContact CG-CB 4.11Å; A199-A202 WeakPolarHBondContact O-CB 3.31Å; A199-A202 PolarHBondContact O-N 2.93Å; A202-G205 PolarHBondContact O-N 2.87Å; A202-F206 WeakPolarHBondContact O-CB 3.36Å; A202-F206 PolarHBondContact O-N 3.45Å |
| 203 | V | 96.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | A199 G200 M201 F206 T207 Q328 A330 | A199-V203 PolarHBondContact O-N 3.26Å; G200-V203 PolarHBondContact O-N 3.19Å; M201-V203 VanDerWaalsContact C-N 3.32Å; M201-V203 PolarHBondContact O-N 3.17Å; V203-F206 PolarHBondContact O-N 3.37Å; V203-T207 PolarHBondContact O-N 2.83Å; V203-T207 PolarHBondContact O-OG1 2.63Å; V203-Q328 HydrophobicContact CG2-CB 4.42Å; V203-A330 HydrophobicContact CG2-CB 3.56Å |
| 204 | K | 95.3 | Very high | 94.7 | Very high | 127 Ų | 127 | 27.1 Ų | 27.1 | 55% | 0.552 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -62.2 | -42.4 | 175 | -71.9 | 178.3 | -178.5 | 179.8 | 0 | 111.9 | G200 M201 S208 | G200-K204 WeakPolarHBondContact O-CG 3.45Å; G200-K204 PolarHBondContact O-N 2.58Å; G200-K204 VanDerWaalsContact O-N 3.15Å; M201-K204 PolarHBondContact O-N 2.99Å; M201-K204 HydrophobicContact SD-CD 4.29Å; K204-S208 PolarHBondContact O-N 3.24Å; K204-S208 VanDerWaalsContact O-N 3.11Å; K204-S208 PolarHBondContact O-OG 2.92Å |
| 205 | G | 95.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M201 A202 T207 S208 C209 | M201-G205 PolarHBondContact O-N 2.93Å; A202-G205 PolarHBondContact O-N 2.87Å; G205-T207 PolarHBondContact O-N 3.19Å; G205-S208 WeakPolarHBondContact O-CB 3.31Å; G205-S208 PolarHBondContact O-N 3.32Å; G205-S208 VanDerWaalsContact O-N 3.14Å; G205-C209 PolarHBondContact O-N 2.92Å; G205-C209 PolarHBondContact O-SG 3.45Å |
| 206 | F | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 178.7 | -166.4 | -78.3 | 0 | 0 | 0 | 112.6 | I179 Q183 Y192 W194 A202 V203 S208 C209 A210 C326 Q328 | I179-F206 HydrophobicContact CG2-CB 3.98Å; I179-F206 HydrophobicContact CG2-CD2 3.64Å; I179-F206 HydrophobicContact CG2-CG 4.17Å; Q183-F206 HydrophobicContact CG-CD2 3.99Å; Q183-F206 HydrophobicContact CG-CE1 4.39Å; Q183-F206 HydrophobicContact CG-CE2 3.45Å; Q183-F206 VanDerWaalsContact CG-CE2 3.45Å; Q183-F206 HydrophobicContact CG-CZ 3.69Å; Q183-F206 VanDerWaalsContact NE2-CD2 3.28Å; Q183-F206 VanDerWaalsContact NE2-CE2 3.32Å; Q183-F206 PolarHBondContact NE2-O 2.96Å; Y192-F206 HydrophobicContact CD1-CE2 4.14Å; Y192-F206 AromaticContact CD2-CE2 3.71Å; Y192-F206 HydrophobicContact CD2-CE2 3.71Å; Y192-F206 AromaticContact CD2-CZ 3.85Å; Y192-F206 HydrophobicContact CD2-CZ 3.85Å; Y192-F206 AromaticContact CE1-CE2 3.87Å; Y192-F206 HydrophobicContact CE1-CE2 3.87Å; Y192-F206 AromaticContact CE2-CE2 3.43Å; Y192-F206 HydrophobicContact CE2-CE2 3.43Å; Y192-F206 VanDerWaalsContact CE2-CE2 3.43Å; Y192-F206 AromaticContact CE2-CZ 3.39Å; Y192-F206 HydrophobicContact CE2-CZ 3.39Å; Y192-F206 HydrophobicContact CG-CE2 4.08Å; Y192-F206 AromaticContact CZ-CE2 3.51Å; Y192-F206 AromaticContact CZ-CZ 3.83Å; W194-F206 HydrophobicContact CZ2-CD2 4.23Å; A202-F206 WeakPolarHBondContact O-CB 3.36Å; A202-F206 PolarHBondContact O-N 3.45Å; V203-F206 PolarHBondContact O-N 3.37Å; F206-S208 VanDerWaalsContact C-N 3.3Å; F206-S208 PolarHBondContact O-N 3.24Å; F206-C209 PolarHBondContact O-N 2.91Å; F206-A210 WeakPolarHBondContact O-CB 3.36Å; F206-A210 PolarHBondContact O-N 2.74Å; F206-C326 HydrophobicContact CE1-CB 3.99Å; F206-C326 HydrophobicContact CZ-CB 3.96Å; F206-Q328 VanDerWaalsContact CB-OE1 3.22Å; F206-Q328 HydrophobicContact CD1-CG 4.4Å; F206-Q328 VanDerWaalsContact CG-CD 3.5Å |
| 207 | T | 93.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | V203 G205 A210 R211 | V203-T207 PolarHBondContact O-N 2.83Å; V203-T207 PolarHBondContact O-OG1 2.63Å; G205-T207 PolarHBondContact O-N 3.19Å; T207-A210 PolarHBondContact O-N 2.79Å; T207-R211 WeakPolarHBondContact O-CG 3.49Å; T207-R211 PolarHBondContact O-N 3.35Å; T207-R211 VanDerWaalsContact O-N 3.16Å |
| 208 | S | 94 | Very high | 93.3 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 51% | 0.51 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.4 | -45.4 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | K204 G205 F206 A210 R211 Q212 | K204-S208 PolarHBondContact O-N 3.24Å; K204-S208 VanDerWaalsContact O-N 3.11Å; K204-S208 PolarHBondContact O-OG 2.92Å; G205-S208 WeakPolarHBondContact O-CB 3.31Å; G205-S208 PolarHBondContact O-N 3.32Å; G205-S208 VanDerWaalsContact O-N 3.14Å; F206-S208 VanDerWaalsContact C-N 3.3Å; F206-S208 PolarHBondContact O-N 3.24Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.14Å; S208-R211 PolarHBondContact O-N 2.89Å; S208-Q212 PolarHBondContact O-N 3.05Å |
| 209 | C | 94 | Very high | 93 | Very high | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | F180 G205 F206 Q212 H213 | F180-C209 HydrophobicContact CB-CB 4.07Å; F180-C209 HydrophobicContact CD2-CB 4.13Å; G205-C209 PolarHBondContact O-N 2.92Å; G205-C209 PolarHBondContact O-SG 3.45Å; F206-C209 PolarHBondContact O-N 2.91Å; C209-Q212 WeakPolarHBondContact O-CB 3.46Å; C209-Q212 PolarHBondContact O-N 3.46Å; C209-Q212 VanDerWaalsContact O-N 3.16Å; C209-H213 PolarHBondContact O-CD2 3.08Å; C209-H213 PolarHBondContact O-N 2.88Å |
| 210 | A | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F206 T207 S208 Q212 H213 E214 F323 R324 | F206-A210 WeakPolarHBondContact O-CB 3.36Å; F206-A210 PolarHBondContact O-N 2.74Å; T207-A210 PolarHBondContact O-N 2.79Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.14Å; A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.28Å; A210-H213 PolarHBondContact O-N 3.08Å; A210-E214 PolarHBondContact O-N 3.32Å; A210-E214 VanDerWaalsContact O-N 3.13Å; A210-F323 HydrophobicContact CB-CB 3.63Å; A210-R324 HydrophobicContact CB-CG 4.11Å |
| 211 | R | 92.2 | Very high | 92 | Very high | 113 Ų | 113 | 52.7 Ų | 52.7 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 173.4 | -71.6 | 175.4 | 177.9 | 175.1 | -3.5 | 111.8 | T207 S208 K215 | T207-R211 WeakPolarHBondContact O-CG 3.49Å; T207-R211 PolarHBondContact O-N 3.35Å; T207-R211 VanDerWaalsContact O-N 3.16Å; S208-R211 PolarHBondContact O-N 2.89Å; R211-K215 WeakPolarHBondContact O-CG 3.17Å; R211-K215 PolarHBondContact O-N 2.78Å; R211-K215 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 92.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.7 | -176.1 | 62.4 | 17.3 | 0 | 0 | 111.6 | F180 S208 C209 A210 E214 K215 E216 | F180-Q212 HydrophobicContact CD2-CB 4.37Å; F180-Q212 HydrophobicContact CD2-CG 4.26Å; F180-Q212 HydrophobicContact CE2-CB 4.11Å; F180-Q212 HydrophobicContact CE2-CG 3.77Å; S208-Q212 PolarHBondContact O-N 3.05Å; C209-Q212 WeakPolarHBondContact O-CB 3.46Å; C209-Q212 PolarHBondContact O-N 3.46Å; C209-Q212 VanDerWaalsContact O-N 3.16Å; A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.28Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 2.73Å; Q212-K215 PolarHBondContact O-N 3.33Å; Q212-E216 PolarHBondContact NE2-OE1 3.09Å; Q212-E216 PolarHBondContact O-N 2.93Å |
| 213 | H | 92.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -43 | 173.5 | -88.9 | -63.3 | 0 | 0 | 0 | 112.5 | F180 Q183 S184 C209 A210 E216 Y217 F323 | F180-H213 AromaticContact CD1-NE2 3.89Å; F180-H213 AromaticContact CD2-CD2 3.62Å; F180-H213 AromaticContact CD2-CE1 3.98Å; F180-H213 AromaticContact CD2-NE2 3.39Å; F180-H213 WeakPolarHBondContact CD2-NE2 3.49Å; F180-H213 AromaticContact CE1-CE1 3.57Å; F180-H213 AromaticContact CE1-NE2 3.81Å; F180-H213 AromaticContact CE2-CD2 3.49Å; F180-H213 VanDerWaalsContact CE2-CD2 3.49Å; F180-H213 WeakPolarHBondContact CE2-CD2 3.48Å; F180-H213 AromaticContact CE2-CE1 3.43Å; F180-H213 VanDerWaalsContact CE2-CE1 3.43Å; F180-H213 WeakPolarHBondContact CE2-CE1 3.32Å; F180-H213 AromaticContact CE2-CG 3.73Å; F180-H213 AromaticContact CE2-ND1 3.75Å; F180-H213 AromaticContact CE2-NE2 3.3Å; F180-H213 VanDerWaalsContact CE2-NE2 3.3Å; F180-H213 WeakPolarHBondContact CE2-NE2 3.24Å; F180-H213 AromaticContact CG-NE2 3.69Å; F180-H213 AromaticContact CZ-CE1 3.21Å; F180-H213 WeakPolarHBondContact CZ-CE1 3.26Å; F180-H213 AromaticContact CZ-ND1 3.68Å; F180-H213 AromaticContact CZ-NE2 3.53Å; F180-H213 PolarHBondContact O-NE2 2.82Å; F180-H213 VanDerWaalsContact O-NE2 3.13Å; Q183-H213 PolarHBondContact OE1-CD2 3.48Å; S184-H213 PolarHBondContact OG-CE1 2.83Å; S184-H213 PolarHBondContact OG-NE2 2.86Å; C209-H213 PolarHBondContact O-CD2 3.08Å; C209-H213 PolarHBondContact O-N 2.88Å; A210-H213 PolarHBondContact O-N 3.08Å; H213-E216 PolarHBondContact O-N 3.34Å; H213-Y217 WeakPolarHBondContact O-CB 3.48Å; H213-Y217 PolarHBondContact O-N 3.27Å; H213-F323 HydrophobicContact CB-CD2 3.66Å; H213-F323 HydrophobicContact CB-CE2 3.78Å; H213-F323 AromaticContact CD2-CD2 3.98Å; H213-F323 AromaticContact CD2-CE2 3.79Å; H213-F323 AromaticContact CG-CD2 3.81Å; H213-F323 AromaticContact CG-CE2 3.53Å; H213-F323 AromaticContact ND1-CE2 3.94Å |
| 214 | E | 89.8 | Confident | 89.6 | Confident | 27 Ų | 27 | 63 Ų | 63 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.2 | -72.8 | 171.9 | 175.2 | 0 | 0 | 111.9 | A210 Q212 E216 Y217 F218 R324 | A210-E214 PolarHBondContact O-N 3.32Å; A210-E214 VanDerWaalsContact O-N 3.13Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 2.73Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E214-E216 PolarHBondContact O-N 2.8Å; E214-Y217 WeakPolarHBondContact O-CB 3.29Å; E214-Y217 PolarHBondContact O-N 3Å; E214-F218 WeakPolarHBondContact O-CD2 3.49Å; E214-F218 PolarHBondContact O-N 3.34Å; E214-R324 WeakPolarHBondContact OE1-CD 3.46Å; E214-R324 WeakPolarHBondContact OE1-CG 3.48Å; E214-R324 WeakPolarHBondContact OE2-CD 3.33Å; E214-R324 IonicContact OE2-NH1 3.99Å |
| 215 | K | 89.6 | Confident | 88.7 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 176.8 | -73.1 | 173.5 | -177.6 | -179.1 | 0 | 111.8 | R211 Q212 F218 A219 | R211-K215 WeakPolarHBondContact O-CG 3.17Å; R211-K215 PolarHBondContact O-N 2.78Å; R211-K215 VanDerWaalsContact O-N 3.11Å; Q212-K215 PolarHBondContact O-N 3.33Å; K215-F218 PolarHBondContact O-N 3.18Å; K215-A219 VanDerWaalsContact O-CB 3.3Å; K215-A219 WeakPolarHBondContact O-CB 3.45Å; K215-A219 PolarHBondContact O-N 3.39Å |
| 216 | E | 90.5 | Very high | 87.6 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 178 | -73.3 | 179.7 | -160.4 | 0 | 0 | 112.1 | F180 Q212 H213 E214 A219 A220 | F180-E216 WeakPolarHBondContact CZ-OE2 3.44Å; Q212-E216 PolarHBondContact NE2-OE1 3.09Å; Q212-E216 PolarHBondContact O-N 2.93Å; H213-E216 PolarHBondContact O-N 3.34Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E214-E216 PolarHBondContact O-N 2.8Å; E216-A219 PolarHBondContact O-N 2.76Å; E216-A220 VanDerWaalsContact O-CB 3.31Å; E216-A220 WeakPolarHBondContact O-CB 3.03Å; E216-A220 PolarHBondContact O-N 3.19Å |
| 217 | Y | 88.5 | Confident | 86.2 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 173.3 | 175.5 | -96.7 | 0 | 0 | 0 | 111.7 | H213 E214 A219 A220 K221 D317 G319 K320 P321 | H213-Y217 WeakPolarHBondContact O-CB 3.48Å; H213-Y217 PolarHBondContact O-N 3.27Å; E214-Y217 WeakPolarHBondContact O-CB 3.29Å; E214-Y217 PolarHBondContact O-N 3Å; Y217-A219 PolarHBondContact O-N 2.87Å; Y217-A220 PolarHBondContact O-N 2.85Å; Y217-K221 HydrophobicContact CE1-CD 4.09Å; Y217-K221 WeakPolarHBondContact O-CB 3.48Å; Y217-K221 PolarHBondContact O-N 2.86Å; Y217-D317 PolarHBondContact OH-OD2 2.95Å; Y217-G319 WeakPolarHBondContact CE2-O 3.45Å; Y217-K320 HydrophobicContact CD1-CB 4.45Å; Y217-K320 HydrophobicContact CD1-CG 4.26Å; Y217-K320 HydrophobicContact CE1-CB 4.03Å; Y217-K320 HydrophobicContact CE1-CG 4.3Å; Y217-P321 HydrophobicContact CD2-CG 4.5Å |
| 218 | F | 86.5 | Confident | 84.8 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 42% | 0.421 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68 | -35.7 | 179.1 | -72.1 | -60.8 | 0 | 0 | 0 | 112.7 | E214 K215 G222 K320 | E214-F218 WeakPolarHBondContact O-CD2 3.49Å; E214-F218 PolarHBondContact O-N 3.34Å; K215-F218 PolarHBondContact O-N 3.18Å; F218-G222 PolarHBondContact O-N 2.93Å; F218-K320 HydrophobicContact CE2-CD 4.41Å; F218-K320 HydrophobicContact CZ-CD 3.96Å |
| 219 | A | 88.6 | Confident | 83 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K215 E216 Y217 G222 Q223 | K215-A219 VanDerWaalsContact O-CB 3.3Å; K215-A219 WeakPolarHBondContact O-CB 3.45Å; K215-A219 PolarHBondContact O-N 3.39Å; E216-A219 PolarHBondContact O-N 2.76Å; Y217-A219 PolarHBondContact O-N 2.87Å; A219-G222 PolarHBondContact O-N 3.39Å; A219-Q223 WeakPolarHBondContact O-CG 3.42Å; A219-Q223 PolarHBondContact O-N 2.8Å |
| 220 | A | 86.8 | Confident | 81.3 | Confident | 55 Ų | 55 | 84.1 Ų | 84.1 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E216 Y217 G222 Q223 L224 | E216-A220 VanDerWaalsContact O-CB 3.31Å; E216-A220 WeakPolarHBondContact O-CB 3.03Å; E216-A220 PolarHBondContact O-N 3.19Å; Y217-A220 PolarHBondContact O-N 2.85Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.25Å; A220-Q223 PolarHBondContact O-N 3.14Å; A220-L224 WeakPolarHBondContact O-CB 3.23Å; A220-L224 PolarHBondContact O-N 2.84Å |
| 221 | K | 83.3 | Confident | 79.4 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 29% | 0.291 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.2 | -170.5 | 170 | -178.5 | 170.4 | 0 | 111.7 | Y217 L224 K225 D317 | Y217-K221 HydrophobicContact CE1-CD 4.09Å; Y217-K221 WeakPolarHBondContact O-CB 3.48Å; Y217-K221 PolarHBondContact O-N 2.86Å; K221-L224 PolarHBondContact O-N 3.02Å; K221-K225 PolarHBondContact O-N 2.71Å; K221-D317 IonicContact NZ-OD1 3.39Å; K221-D317 PolarHBondContact NZ-OD1 3.28Å; K221-D317 IonicContact NZ-OD2 2.78Å; K221-D317 PolarHBondContact NZ-OD2 2.8Å |
| 222 | G | 79.9 | Confident | 77.1 | Confident | 33 Ų | 33 | 87.8 Ų | 87.8 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F218 A219 A220 K225 K226 | F218-G222 PolarHBondContact O-N 2.93Å; A219-G222 PolarHBondContact O-N 3.39Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.25Å; G222-K225 PolarHBondContact O-N 2.88Å; G222-K226 WeakPolarHBondContact O-CG 3.43Å; G222-K226 PolarHBondContact O-N 2.96Å |
| 223 | Q | 82.3 | Confident | 74.6 | Confident | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 173.7 | -75.7 | -178.5 | -5.9 | 0 | 0 | 112.1 | A219 A220 K226 L227 | A219-Q223 WeakPolarHBondContact O-CG 3.42Å; A219-Q223 PolarHBondContact O-N 2.8Å; A220-Q223 PolarHBondContact O-N 3.14Å; Q223-K226 CarbonylContact O-C 3.6Å; Q223-K226 WeakPolarHBondContact O-CB 3.46Å; Q223-K226 PolarHBondContact O-N 3.08Å; Q223-L227 WeakPolarHBondContact O-CB 3.47Å; Q223-L227 WeakPolarHBondContact O-CG 3.07Å; Q223-L227 PolarHBondContact O-N 3.1Å |
| 224 | L | 76.6 | Confident | 72 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176 | -164.7 | 76.2 | 0 | 0 | 0 | 111.3 | A220 K221 K226 L227 Q228 | A220-L224 WeakPolarHBondContact O-CB 3.23Å; A220-L224 PolarHBondContact O-N 2.84Å; K221-L224 PolarHBondContact O-N 3.02Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.17Å; L224-L227 PolarHBondContact O-N 3.21Å; L224-Q228 WeakPolarHBondContact O-CB 3.16Å; L224-Q228 VanDerWaalsContact O-CG 3.31Å; L224-Q228 WeakPolarHBondContact O-CG 3.3Å; L224-Q228 PolarHBondContact O-N 2.82Å |
| 225 | K | 75.7 | Confident | 69.3 | Low | 143 Ų | 143 | 102.7 Ų | 102.7 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -40.7 | 172.1 | -79.2 | -174.1 | 176.2 | -176.7 | 0 | 112.1 | K221 G222 G229 | K221-K225 PolarHBondContact O-N 2.71Å; G222-K225 PolarHBondContact O-N 2.88Å; K225-G229 PolarHBondContact O-N 2.99Å |
| 226 | K | 73.8 | Confident | 66.7 | Low | 154 Ų | 154 | 102.8 Ų | 102.8 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 174.7 | -75.7 | 179.6 | 179.5 | -179.1 | 0 | 112.3 | G222 Q223 L224 G229 I230 | G222-K226 WeakPolarHBondContact O-CG 3.43Å; G222-K226 PolarHBondContact O-N 2.96Å; Q223-K226 CarbonylContact O-C 3.6Å; Q223-K226 WeakPolarHBondContact O-CB 3.46Å; Q223-K226 PolarHBondContact O-N 3.08Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 3.17Å; K226-G229 PolarHBondContact O-N 3.44Å; K226-I230 WeakPolarHBondContact O-CD1 3.46Å; K226-I230 VanDerWaalsContact O-CG1 3.25Å; K226-I230 WeakPolarHBondContact O-CG1 3.4Å; K226-I230 PolarHBondContact O-N 2.63Å; K226-I230 VanDerWaalsContact O-N 3.08Å |
| 227 | L | 66.1 | Low | 64 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 49% | 0.492 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69 | -38.4 | 177.3 | -75.5 | 164.7 | 0 | 0 | 0 | 112.1 | Q223 L224 G229 I230 I231 | Q223-L227 WeakPolarHBondContact O-CB 3.47Å; Q223-L227 WeakPolarHBondContact O-CG 3.07Å; Q223-L227 PolarHBondContact O-N 3.1Å; L224-L227 PolarHBondContact O-N 3.21Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 2.71Å; L227-I230 PolarHBondContact O-N 3.11Å; L227-I230 VanDerWaalsContact O-N 3.14Å; L227-I231 WeakPolarHBondContact O-CB 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.04Å; L227-I231 PolarHBondContact O-N 3.39Å |
| 228 | Q | 63.5 | Low | 61.4 | Low | 123 Ų | 123 | 110 Ų | 110 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.4 | -34.1 | 171.9 | -75 | 175.5 | -12.5 | 0 | 0 | 111.8 | L224 I230 G232 | L224-Q228 WeakPolarHBondContact O-CB 3.16Å; L224-Q228 VanDerWaalsContact O-CG 3.31Å; L224-Q228 WeakPolarHBondContact O-CG 3.3Å; L224-Q228 PolarHBondContact O-N 2.82Å; Q228-I230 VanDerWaalsContact C-N 3.3Å; Q228-I230 PolarHBondContact O-N 3.07Å; Q228-G232 PolarHBondContact O-N 2.96Å |
| 229 | G | 57 | Low | 58.6 | Low | 62 Ų | 62 | 114.3 Ų | 114.3 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.8 | -21.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K225 K226 L227 | K225-G229 PolarHBondContact O-N 2.99Å; K226-G229 PolarHBondContact O-N 3.44Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 2.71Å |
| 230 | I | 59.1 | Low | 55.7 | Low | 133 Ų | 133 | 123.4 Ų | 123.4 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -95 | -25 | 179.1 | -67.5 | 165.2 | 0 | 0 | 0 | 111.9 | K226 L227 Q228 | K226-I230 WeakPolarHBondContact O-CD1 3.46Å; K226-I230 VanDerWaalsContact O-CG1 3.25Å; K226-I230 WeakPolarHBondContact O-CG1 3.4Å; K226-I230 PolarHBondContact O-N 2.63Å; K226-I230 VanDerWaalsContact O-N 3.08Å; L227-I230 PolarHBondContact O-N 3.11Å; L227-I230 VanDerWaalsContact O-N 3.14Å; Q228-I230 VanDerWaalsContact C-N 3.3Å; Q228-I230 PolarHBondContact O-N 3.07Å |
| 231 | I | 53.2 | Low | 53 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 70% | 0.697 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -97.1 | -4.4 | -179.7 | -62.7 | 170.1 | 0 | 0 | 0 | 111.8 | L227 | L227-I231 WeakPolarHBondContact O-CB 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.04Å; L227-I231 PolarHBondContact O-N 3.39Å |
| 232 | G | 42.8 | Very low | 50.3 | Low | 56 Ų | 56 | 137.9 Ų | 137.9 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | trans | -92.4 | 12.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 118 | Q228 | Q228-G232 PolarHBondContact O-N 2.96Š| ||
| 233 | D | 39.8 | Very low | 47.9 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -110.8 | 20.6 | -177.1 | -130.4 | 13.1 | 0 | 0 | 0 | 114.7 | ||
| 234 | Q | 37.7 | Very low | 45.3 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | trans | -136.9 | 73 | 168 | -67 | -167.1 | 11 | 0 | 0 | 111.5 | ||||
| 235 | S | 33.1 | Very low | 43 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -132.8 | 116.3 | 160.1 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | S237 | S235-S237 PolarHBondContact O-N 3.26Å; S235-S237 PolarHBondContact OG-OG 2.87Å | ||
| 236 | P | 36.2 | Very low | 40.7 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -81.5 | 66.6 | 177.9 | 34.7 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 237 | S | 33.4 | Very low | 38.8 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -163.5 | 60.8 | 171.1 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | S235 | S235-S237 PolarHBondContact O-N 3.26Å; S235-S237 PolarHBondContact OG-OG 2.87Å |
| 238 | K | 33.9 | Very low | 37 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -170.2 | 52.6 | 155.2 | -105.1 | 166.4 | -169.3 | -176.1 | 0 | 110 | ||||
| 239 | Q | 27.4 | Very low | 35.5 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -101.9 | 39.1 | 172.9 | -119.3 | -176.9 | 2 | 0 | 0 | 111.5 | ||||
| 240 | W | 28 | Very low | 34.4 | Very low | 247 Ų | 247 | 156.6 Ų | 156.6 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -147.9 | 83.3 | 170 | -77.1 | 79.9 | 0 | 0 | 0 | 108.9 | ||
| 241 | R | 30.2 | Very low | 33.1 | Very low | 239 Ų | 239 | 157.1 Ų | 157.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 160.9 | 77.8 | 152.7 | -90.9 | 175.2 | -163.3 | -160.4 | 5.8 | 109.2 | ||
| 242 | Q | 27.1 | Very low | 32 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 171.1 | 71 | 151.1 | -97 | 171.9 | 18.9 | 0 | 0 | 107.7 | ||
| 243 | H | 28 | Very low | 31.5 | Very low | 202 Ų | 202 | 159.4 Ų | 159.4 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -172.4 | 66.2 | 156.2 | -104.3 | -70.3 | 0 | 0 | 0 | 107.1 | ||||
| 244 | A | 28.5 | Very low | 31.1 | Very low | 84 Ų | 84 | 163.2 Ų | 163.2 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -143.5 | 115 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||
| 245 | D | 28.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 159.2 Ų | 159.2 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 89.7 | 80.8 | 152.8 | -47.3 | -22.2 | 0 | 0 | 0 | 118.3 | ||||
| 246 | S | 27.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 159.2 Ų | 159.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -111.2 | 142.2 | 139.3 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 247 | Y | 33.8 | Very low | 30.1 | Very low | 230 Ų | 230 | 161.9 Ų | 161.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | 83.1 | 107.7 | -165.5 | -53.9 | -75.4 | 0 | 0 | 0 | 113.5 | ||||
| 248 | G | 29.2 | Very low | 29.6 | Very low | 64 Ų | 64 | 164.6 Ų | 164.6 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | cis | 143.6 | 139.4 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 249 | Y | 32.2 | Very low | 29.5 | Very low | 201 Ų | 201 | 159.6 Ų | 159.6 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 93.5 | 128 | 171.4 | -71.5 | -76.4 | 0 | 0 | 0 | 117 | ||||
| 250 | Y | 32.9 | Very low | 29.6 | Very low | 183 Ų | 183 | 155.7 Ų | 155.7 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | cis | -154.6 | 152.2 | 16.8 | -106.4 | -78.6 | 0 | 0 | 0 | 110.7 | ||||
| 251 | N | 30.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 57.3 | 135 | 152.5 | -69.7 | -11.6 | 0 | 0 | 0 | 119.7 | ||||
| 252 | S | 31.1 | Very low | 29.6 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | -169.1 | 145.7 | 18 | 42.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | D | 31.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 129.4 | 153.1 | -58.8 | -29.7 | 0 | 0 | 0 | 118.9 | ||||
| 254 | R | 31.1 | Very low | 29.8 | Very low | 238 Ų | 238 | 142.6 Ų | 142.6 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | cis | -165 | 130.2 | 11.7 | -115.5 | 173.4 | 178.2 | -175.1 | -0.8 | 106.7 | ||||
| 255 | S | 25.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -108.4 | 131.6 | 156 | 65.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 256 | A | 32.1 | Very low | 30 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 176.5 | 141.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 257 | Y | 28.9 | Very low | 30.1 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | cis | 177 | 149.8 | -12.1 | -115 | -74.5 | 0 | 0 | 0 | 102.1 | P259 | Y257-P259 HydrophobicContact CD1-CG 4.19Š| ||
| 258 | T | 24.3 | Very low | 30 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -137.8 | 124.9 | 139.2 | 30.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 259 | P | 32.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -138.7 | 150.8 | 137.3 | 24.7 | -3.8 | 0 | 0 | 0 | 111.6 | Y257 | Y257-P259 HydrophobicContact CD1-CG 4.19Š| ||
| 260 | S | 28.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 142.9 | 179.2 | 93 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 261 | F | 29.2 | Very low | 29.5 | Very low | 193 Ų | 193 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -160.6 | 150 | 132.3 | -110.9 | -79.1 | 0 | 0 | 0 | 111.9 | ||||
| 262 | K | 28.6 | Very low | 29.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -43.7 | 142.6 | -172 | -71.7 | 170.2 | 174.3 | 176.5 | 0 | 119.8 | ||||
| 263 | A | 27.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 150.4 Ų | 150.4 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 100.9 | 126.1 | 124.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 264 | T | 31.4 | Very low | 29.2 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | 72.2 | 135.1 | 150.7 | 50.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 265 | A | 31.2 | Very low | 29.1 | Very low | 84 Ų | 84 | 147.7 Ų | 147.7 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | cis | -172.3 | 161.3 | -13.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 266 | R | 30.4 | Very low | 29.2 | Very low | 258 Ų | 258 | 147.6 Ų | 147.6 | 97% | 0.974 | 80% | 0.797 | S | S | * | * | trans | 82.3 | 126.7 | 168.8 | -57.2 | -180 | 172.7 | -178 | -1.9 | 115.8 | ||||
| 267 | G | 29.3 | Very low | 29 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | 179.4 | 144.7 | -0.3 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 268 | K | 31.5 | Very low | 29.1 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | -169.5 | 121 | 60.1 | -78.5 | 169.9 | 172.7 | 178.1 | 0 | 105.1 | |||||
| 269 | A | 27.8 | Very low | 29.4 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | 65 | 104.3 | 105 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 270 | H | 30.2 | Very low | 29.1 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | -154.2 | 127.8 | 112.8 | -105.3 | 58.9 | 0 | 0 | 0 | 110.9 | |||||
| 271 | N | 25.7 | Very low | 29.1 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -99.6 | 131.8 | 176.9 | -108.5 | -34 | 0 | 0 | 0 | 107.7 | ||||
| 272 | I | 32.8 | Very low | 29.1 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | -140.4 | 89.2 | 152.3 | -59.7 | -179.2 | 0 | 0 | 0 | 105.1 | ||||
| 273 | R | 29 | Very low | 29.2 | Very low | 215 Ų | 215 | 146.2 Ų | 146.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | 40.9 | 93.1 | 97.4 | -79.1 | -171.6 | 174.1 | 178.8 | -1.2 | 114.3 | V275 | R273-V275 HydrophobicContact CB-CG2 4.46Å; R273-V275 PolarHBondContact O-N 2.73Å | |||
| 274 | K | 26.5 | Very low | 29.4 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -77.7 | 105.5 | 145.6 | -86.2 | -175.4 | 174.6 | -177 | 0 | 107.6 | ||||
| 275 | V | 28.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117.9 | 169.8 | 172.2 | 0 | 0 | 0 | 0 | 107.3 | R273 I277 | R273-V275 HydrophobicContact CB-CG2 4.46Å; R273-V275 PolarHBondContact O-N 2.73Å; V275-I277 HydrophobicContact CG1-CG1 4.5Å |
| 276 | S | 27.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117.8 | 161.8 | -20.3 | 0 | 0 | 0 | 0 | 106.6 | P278 | S276-P278 WeakPolarHBondContact O-CD 3.22Š|
| 277 | I | 27.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 119.4 | 168.3 | -61.8 | 171.5 | 0 | 0 | 0 | 107 | V275 | V275-I277 HydrophobicContact CG1-CG1 4.5Š|
| 278 | P | 29.8 | Very low | 29.3 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -88.8 | 114.5 | 171.2 | 31.5 | -23.6 | 0 | 0 | 0 | 108.9 | S276 G280 | S276-P278 WeakPolarHBondContact O-CD 3.22Å; P278-G280 PolarHBondContact O-N 2.89Å | ||
| 279 | Y | 30.2 | Very low | 29 | Very low | 223 Ų | 223 | 144.9 Ų | 144.9 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 119.4 | 164.1 | -85.6 | -82.8 | 0 | 0 | 0 | 109.4 | ||||
| 280 | G | 27.6 | Very low | 29.1 | Very low | 74 Ų | 74 | 150 Ų | 150 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -68 | 136.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P278 | P278-G280 PolarHBondContact O-N 2.89Š| ||
| 281 | R | 27.9 | Very low | 28.8 | Very low | 254 Ų | 254 | 149.8 Ų | 149.8 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -105.1 | 112.3 | 151.8 | -83.3 | -169.9 | -179.4 | -146.1 | 2 | 108.5 | ||||
| 282 | G | 27.9 | Very low | 29.1 | Very low | 74 Ų | 74 | 149.2 Ų | 149.2 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -102.2 | 129 | 145.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 283 | S | 32.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | -174.6 | 118.6 | 76.8 | 42.7 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 284 | S | 30.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | 62.7 | 105.3 | 110.9 | 67.8 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 285 | S | 30.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | -175.1 | 129.4 | 119.5 | -80.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 286 | P | 30.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -109.5 | 140 | 172.9 | 36.5 | -25.5 | 0 | 0 | 0 | 111.9 | ||||
| 287 | H | 30.5 | Very low | 28.2 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | 175.5 | 147.3 | 157.4 | -87 | -48.2 | 0 | 0 | 0 | 106.5 | ||||
| 288 | L | 29.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | cis | -166.2 | 152.1 | -12.4 | -117 | 162.7 | 0 | 0 | 0 | 104.5 | ||||
| 289 | N | 24.4 | Very low | 27.9 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | trans | -58 | 143.5 | 173.5 | -71.2 | -20.3 | 0 | 0 | 0 | 112.5 | ||||
| 290 | E | 29.1 | Very low | 27.8 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -145.8 | 120.7 | 140.6 | -115.3 | 175.5 | -168.9 | 0 | 0 | 110 | ||||
| 291 | E | 25.2 | Very low | 27.7 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -77.7 | 127.1 | 174.4 | -67.2 | 171.5 | 144.3 | 0 | 0 | 109.3 | ||||
| 292 | T | 31 | Very low | 27.6 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -140.6 | 115.1 | 149 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 293 | T | 25.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 149 Ų | 149 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -54.1 | 124.6 | 168.3 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 294 | D | 28.3 | Very low | 27.4 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -147.3 | 110.3 | 150.2 | -100.7 | -26.4 | 0 | 0 | 0 | 109.8 | R296 | D294-R296 PolarHBondContact O-N 2.79Š| ||
| 295 | E | 24.1 | Very low | 27.2 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -70 | 115.4 | 171.5 | -68.7 | -176.2 | 148.9 | 0 | 0 | 109.8 | ||||
| 296 | R | 24.2 | Very low | 27 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 161.8 | 102.1 | 143.9 | -91.9 | 163.6 | -176.5 | -166.3 | 2.5 | 109.9 | D294 | D294-R296 PolarHBondContact O-N 2.79Š| ||
| 297 | S | 25.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 169.1 | 140.7 | 135.2 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 298 | C | 28.5 | Very low | 26.9 | Very low | 112 Ų | 112 | 151 Ų | 151 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | 67.7 | 82.6 | 152.7 | -74.4 | 0 | 0 | 0 | 0 | 119.9 | T300 | C298-T300 PolarHBondContact O-N 2.84Å; C298-T300 VanDerWaalsContact O-N 3.1Å | ||
| 299 | E | 21.9 | Very low | 26.9 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -62 | 95.3 | 139 | -70.7 | 179.3 | 154.7 | 0 | 0 | 109.8 | ||||
| 300 | T | 28.5 | Very low | 27.2 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -120.1 | 73.7 | 156 | -54.1 | 0 | 0 | 0 | 0 | 107.9 | C298 A302 | C298-T300 PolarHBondContact O-N 2.84Å; C298-T300 VanDerWaalsContact O-N 3.1Å; T300-A302 HydrophobicContact CG2-CB 4.32Å; T300-A302 PolarHBondContact O-N 2.65Å; T300-A302 VanDerWaalsContact O-N 3.08Å | ||
| 301 | L | 24.8 | Very low | 27.7 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -73.2 | 83 | 154.5 | -79.5 | 167.8 | 0 | 0 | 0 | 107.4 | L303 | L301-L303 PolarHBondContact O-N 2.99Š| ||
| 302 | A | 27.3 | Very low | 28.2 | Very low | 76 Ų | 76 | 145 Ų | 145 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 101.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107 | T300 V304 | T300-A302 HydrophobicContact CG2-CB 4.32Å; T300-A302 PolarHBondContact O-N 2.65Å; T300-A302 VanDerWaalsContact O-N 3.08Å; A302-V304 PolarHBondContact O-N 2.91Å | ||
| 303 | L | 25.7 | Very low | 28.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -46.9 | 105.9 | 156.2 | -76 | 160.5 | 0 | 0 | 0 | 107.6 | L301 D305 | L301-L303 PolarHBondContact O-N 2.99Å; L303-D305 PolarHBondContact O-N 3.46Å | ||
| 304 | V | 28.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -63.1 | 95.6 | 159.7 | 175.5 | 0 | 0 | 0 | 0 | 105 | A302 Q306 | A302-V304 PolarHBondContact O-N 2.91Å; V304-Q306 PolarHBondContact O-N 3.25Å | ||
| 305 | D | 27.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -60.5 | 101.6 | 170.9 | -149.9 | 3.2 | 0 | 0 | 0 | 106.4 | L303 S307 | L303-D305 PolarHBondContact O-N 3.46Å; D305-S307 PolarHBondContact O-N 3.01Å | ||
| 306 | Q | 25.2 | Very low | 32.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 65.6 | 172.1 | -72.7 | -179.2 | -6.3 | 0 | 0 | 108.9 | V304 | V304-Q306 PolarHBondContact O-N 3.25Š| ||
| 307 | S | 26.2 | Very low | 34.1 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 43% | 0.434 | 73% | 0.727 | S | S | . | * | trans | -121.4 | 72.9 | 161.3 | 67.4 | 0 | 0 | 0 | 0 | 107.6 | D305 D309 | D305-S307 PolarHBondContact O-N 3.01Å; S307-D309 PolarHBondContact O-N 2.97Å | ||
| 308 | I | 33.4 | Very low | 36 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | -71.3 | 86.2 | 150.7 | -62.2 | 175.3 | 0 | 0 | 0 | 103.6 | N310 | I308-N310 PolarHBondContact O-N 2.79Š| ||
| 309 | D | 30.8 | Very low | 38 | Very low | 102 Ų | 102 | 135 Ų | 135 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | trans | -59.4 | 132.3 | 170.7 | -70.6 | -36.8 | 0 | 0 | 0 | 107.5 | S307 E311 | S307-D309 PolarHBondContact O-N 2.97Å; D309-E311 VanDerWaalsContact C-N 3.32Å; D309-E311 PolarHBondContact O-N 3.04Å | ||
| 310 | N | 29.8 | Very low | 40.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | -58.6 | 93.7 | 168.3 | -84.4 | -22.5 | 0 | 0 | 0 | 108.9 | I308 N312 | I308-N310 PolarHBondContact O-N 2.79Å; N310-N312 PolarHBondContact O-N 3.33Å; N310-N312 VanDerWaalsContact O-N 3.11Å | ||
| 311 | E | 40.4 | Very low | 43.1 | Very low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -65.4 | -9 | 177 | -70.7 | -172.2 | 151 | 0 | 0 | 113.2 | D309 D313 | D309-E311 VanDerWaalsContact C-N 3.32Å; D309-E311 PolarHBondContact O-N 3.04Å; E311-D313 PolarHBondContact O-N 2.9Å |
| 312 | N | 36 | Very low | 46.1 | Very low | 155 Ų | 155 | 120.5 Ų | 120.5 | 83% | 0.829 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -77.2 | -13.6 | -177 | -73.8 | -12.8 | 0 | 0 | 0 | 115.3 | N310 | N310-N312 PolarHBondContact O-N 3.33Å; N310-N312 VanDerWaalsContact O-N 3.11Å |
| 313 | D | 39.9 | Very low | 49.2 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -95.3 | -8.7 | 179.2 | -76.3 | -29.3 | 0 | 0 | 0 | 113.7 | E311 | E311-D313 PolarHBondContact O-N 2.9Š|
| 314 | D | 47 | Very low | 52.2 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -90.2 | -7.2 | -168.4 | -113.2 | -8.3 | 0 | 0 | 0 | 114.2 | Q316 K320 | D314-Q316 PolarHBondContact O-N 2.61Å; D314-K320 IonicContact OD1-NZ 2.98Å; D314-K320 PolarHBondContact OD1-NZ 2.88Å; D314-K320 IonicContact OD2-NZ 3.83Å; D314-K320 PolarHBondContact OD2-NZ 3.05Å |
| 315 | E | 51.5 | Low | 55 | Low | 174 Ų | 174 | 111.3 Ų | 111.3 | 81% | 0.813 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -78.8 | -11.8 | -174.8 | -77.1 | -163.5 | 149.3 | 0 | 0 | 115.4 | ||
| 316 | Q | 54.3 | Low | 58.2 | Low | 190 Ų | 190 | 105.2 Ų | 105.2 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -91 | -6.4 | -172.3 | -70.7 | -175.3 | 0.7 | 0 | 0 | 116 | D314 | D314-Q316 PolarHBondContact O-N 2.61Š|
| 317 | D | 63.9 | Low | 61.6 | Low | 50 Ų | 50 | 96.4 Ų | 96.4 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | trans | -109.8 | 78.4 | -176 | -158.7 | 15.8 | 0 | 0 | 0 | 112.1 | Y217 K221 G319 K320 | Y217-D317 PolarHBondContact OH-OD2 2.95Å; K221-D317 IonicContact NZ-OD1 3.39Å; K221-D317 PolarHBondContact NZ-OD1 3.28Å; K221-D317 IonicContact NZ-OD2 2.78Å; K221-D317 PolarHBondContact NZ-OD2 2.8Å; D317-G319 PolarHBondContact O-N 2.95Å; D317-K320 PolarHBondContact O-N 2.92Å; D317-K320 VanDerWaalsContact O-N 3.12Å | ||
| 318 | E | 64.6 | Low | 65 | Low | 187 Ų | 187 | 93.6 Ų | 93.6 | 87% | 0.874 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -19.7 | -176.7 | -72.2 | -122.9 | 135.8 | 0 | 0 | 114.8 | ||
| 319 | G | 71.3 | Confident | 68.1 | Low | 53 Ų | 53 | 85.5 Ų | 85.5 | 55% | 0.546 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y217 D317 | Y217-G319 WeakPolarHBondContact CE2-O 3.45Å; D317-G319 PolarHBondContact O-N 2.95Å |
| 320 | K | 79.5 | Confident | 71.3 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -73.1 | 125.3 | -178.4 | -177.7 | -175.6 | 178.7 | -175.9 | 0 | 110.3 | Y217 F218 D314 D317 K322 | Y217-K320 HydrophobicContact CD1-CB 4.45Å; Y217-K320 HydrophobicContact CD1-CG 4.26Å; Y217-K320 HydrophobicContact CE1-CB 4.03Å; Y217-K320 HydrophobicContact CE1-CG 4.3Å; F218-K320 HydrophobicContact CE2-CD 4.41Å; F218-K320 HydrophobicContact CZ-CD 3.96Å; D314-K320 IonicContact OD1-NZ 2.98Å; D314-K320 PolarHBondContact OD1-NZ 2.88Å; D314-K320 IonicContact OD2-NZ 3.83Å; D314-K320 PolarHBondContact OD2-NZ 3.05Å; D317-K320 PolarHBondContact O-N 2.92Å; D317-K320 VanDerWaalsContact O-N 3.12Å; K320-K322 WeakPolarHBondContact O-CG 3.45Å; K320-K322 PolarHBondContact O-N 2.84Å |
| 321 | P | 77.3 | Confident | 74.6 | Confident | 33 Ų | 33 | 74.2 Ų | 74.2 | 21% | 0.214 | 38% | 0.375 | C | S | . | . | trans | -67.5 | 117.4 | 177.6 | 25.2 | -31.4 | 0 | 0 | 0 | 111.1 | Y217 F323 | Y217-P321 HydrophobicContact CD2-CG 4.5Å; P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 HydrophobicContact CB-CD2 3.92Å; P321-F323 HydrophobicContact CB-CE2 3.58Å; P321-F323 HydrophobicContact CB-CZ 4.24Å; P321-F323 HydrophobicContact CG-CD2 4.49Å; P321-F323 HydrophobicContact CG-CE2 4.2Å; P321-F323 PolarHBondContact O-N 2.83Å; P321-F323 VanDerWaalsContact O-N 3.12Å | ||
| 322 | K | 87.9 | Confident | 77.2 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | trans | -88.1 | 48.7 | -171.9 | -58.5 | -175.6 | -178.8 | 179.1 | 0 | 113.1 | K320 R324 S325 | K320-K322 WeakPolarHBondContact O-CG 3.45Å; K320-K322 PolarHBondContact O-N 2.84Å; K322-R324 PolarHBondContact O-N 2.97Å; K322-S325 PolarHBondContact O-N 2.85Å; K322-S325 PolarHBondContact O-OG 3.35Å | ||
| 323 | F | 92 | Very high | 80 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.1 | -174.7 | -67.9 | -65.2 | 0 | 0 | 0 | 113.8 | Q183 T188 A210 H213 P321 S325 C326 | Q183-F323 HydrophobicContact CB-CD1 4.11Å; Q183-F323 HydrophobicContact CB-CE1 3.95Å; Q183-F323 HydrophobicContact CB-CZ 4.33Å; Q183-F323 HydrophobicContact CG-CD1 4.37Å; Q183-F323 VanDerWaalsContact O-CE1 3.25Å; Q183-F323 WeakPolarHBondContact O-CE1 3.44Å; T188-F323 HydrophobicContact CG2-CD1 3.47Å; T188-F323 VanDerWaalsContact CG2-CD1 3.47Å; T188-F323 HydrophobicContact CG2-CE1 3.77Å; T188-F323 HydrophobicContact CG2-CG 4.05Å; A210-F323 HydrophobicContact CB-CB 3.63Å; H213-F323 HydrophobicContact CB-CD2 3.66Å; H213-F323 HydrophobicContact CB-CE2 3.78Å; H213-F323 AromaticContact CD2-CD2 3.98Å; H213-F323 AromaticContact CD2-CE2 3.79Å; H213-F323 AromaticContact CG-CD2 3.81Å; H213-F323 AromaticContact CG-CE2 3.53Å; H213-F323 AromaticContact ND1-CE2 3.94Å; P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 HydrophobicContact CB-CD2 3.92Å; P321-F323 HydrophobicContact CB-CE2 3.58Å; P321-F323 HydrophobicContact CB-CZ 4.24Å; P321-F323 HydrophobicContact CG-CD2 4.49Å; P321-F323 HydrophobicContact CG-CE2 4.2Å; P321-F323 PolarHBondContact O-N 2.83Å; P321-F323 VanDerWaalsContact O-N 3.12Å; F323-S325 PolarHBondContact O-N 2.86Å; F323-C326 VanDerWaalsContact O-CB 3.27Å; F323-C326 WeakPolarHBondContact O-CB 3.3Å; F323-C326 PolarHBondContact O-N 3.13Å; F323-C326 VanDerWaalsContact O-N 3.13Å |
| 324 | R | 88.5 | Confident | 82.5 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -65.4 | -20.3 | 175 | -65.1 | 178.8 | 71.5 | 154.9 | -8.2 | 113.4 | A210 E214 K322 C326 | A210-R324 HydrophobicContact CB-CG 4.11Å; E214-R324 WeakPolarHBondContact OE1-CD 3.46Å; E214-R324 WeakPolarHBondContact OE1-CG 3.48Å; E214-R324 WeakPolarHBondContact OE2-CD 3.33Å; E214-R324 IonicContact OE2-NH1 3.99Å; K322-R324 PolarHBondContact O-N 2.97Å; R324-C326 VanDerWaalsContact C-N 3.33Å |
| 325 | S | 88 | Confident | 84.7 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -85.6 | -4.5 | 176 | 79.9 | 0 | 0 | 0 | 0 | 113.3 | K322 F323 R419 | K322-S325 PolarHBondContact O-N 2.85Å; K322-S325 PolarHBondContact O-OG 3.35Å; F323-S325 PolarHBondContact O-N 2.86Å; S325-R419 PolarHBondContact O-NH2 2.81Å |
| 326 | C | 95.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | trans | -68.7 | 142.2 | 174.4 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | G190 Y192 F206 F323 R324 | G190-C326 PolarHBondContact N-SG 2.92Å; G190-C326 VanDerWaalsContact N-SG 3.44Å; G190-C326 WeakPolarHBondContact O-CA 3.5Å; Y192-C326 HydrophobicContact CD2-CB 4.48Å; Y192-C326 HydrophobicContact CE2-CB 4.09Å; F206-C326 HydrophobicContact CE1-CB 3.99Å; F206-C326 HydrophobicContact CZ-CB 3.96Å; F323-C326 VanDerWaalsContact O-CB 3.27Å; F323-C326 WeakPolarHBondContact O-CB 3.3Å; F323-C326 PolarHBondContact O-N 3.13Å; F323-C326 VanDerWaalsContact O-N 3.13Å; R324-C326 VanDerWaalsContact C-N 3.33Å | ||
| 327 | I | 97 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 140.3 | -177.9 | -64.4 | 173.9 | 0 | 0 | 0 | 109.2 | G190 I191 Y192 L420 V427 F431 S451 | G190-I327 PolarHBondContact O-N 2.88Å; G190-I327 VanDerWaalsContact O-N 3.08Å; I191-I327 CarbonylContact C-O 3.43Å; I191-I327 VanDerWaalsContact CA-O 3.27Å; I191-I327 WeakPolarHBondContact CA-O 3.33Å; I191-I327 HydrophobicContact CB-CB 4.15Å; I191-I327 HydrophobicContact CD1-CB 4.25Å; I191-I327 HydrophobicContact CD1-CG2 3.77Å; I191-I327 HydrophobicContact CG1-CB 3.96Å; I191-I327 HydrophobicContact CG1-CG2 3.81Å; Y192-I327 PolarHBondContact N-O 2.94Å; I327-L420 HydrophobicContact CD1-CD2 3.96Å; I327-V427 HydrophobicContact CD1-CG1 3.73Å; I327-V427 HydrophobicContact CD1-CG2 4.46Å; I327-F431 HydrophobicContact CD1-CE2 4.39Å; I327-F431 HydrophobicContact CG2-CE2 3.55Å; I327-F431 HydrophobicContact CG2-CZ 3.64Å; I327-S451 CarbonylContact C-O 3.53Å; I327-S451 WeakPolarHBondContact CA-O 3.49Å |
| 328 | Q | 97.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.4 | 175.7 | -49.3 | -179.3 | 59 | 0 | 0 | 110.9 | Y192 V203 F206 S450 S451 | Y192-Q328 HydrophobicContact CD2-CG 4.45Å; Y192-Q328 CarbonylContact O-C 3.45Å; Y192-Q328 WeakPolarHBondContact O-CA 3.49Å; V203-Q328 HydrophobicContact CG2-CB 4.42Å; F206-Q328 VanDerWaalsContact CB-OE1 3.22Å; F206-Q328 HydrophobicContact CD1-CG 4.4Å; F206-Q328 VanDerWaalsContact CG-CD 3.5Å; Q328-S450 CarbonylContact O-C 3.6Å; Q328-S450 VanDerWaalsContact O-CA 3.26Å; Q328-S450 WeakPolarHBondContact O-CA 3.46Å; Q328-S451 PolarHBondContact N-O 2.81Å; Q328-S451 PolarHBondContact O-N 3.21Å |
| 329 | L | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.7 | 172.9 | -58.1 | 178.5 | 0 | 0 | 0 | 107.9 | Y192 V193 W194 F349 L353 L430 F431 F434 I449 | Y192-L329 PolarHBondContact O-N 2.82Å; V193-L329 CarbonylContact C-O 3.5Å; V193-L329 WeakPolarHBondContact CA-O 3.37Å; V193-L329 HydrophobicContact CG2-CD1 4.48Å; W194-L329 PolarHBondContact N-O 3.19Å; L329-F349 HydrophobicContact CB-CZ 4.05Å; L329-L353 HydrophobicContact CD1-CD1 4.37Å; L329-L353 HydrophobicContact CD1-CD2 4.49Å; L329-L430 HydrophobicContact CD1-CB 4.07Å; L329-F431 HydrophobicContact CD2-CD1 4.28Å; L329-F431 HydrophobicContact CD2-CE1 3.67Å; L329-F431 HydrophobicContact CD2-CE2 4.39Å; L329-F431 HydrophobicContact CD2-CZ 3.74Å; L329-F434 HydrophobicContact CB-CD2 4.39Å; L329-F434 HydrophobicContact CD2-CD2 3.77Å; L329-F434 HydrophobicContact CD2-CE2 4.07Å; L329-F434 HydrophobicContact CD2-CG 4.09Å; L329-F434 HydrophobicContact CG-CD2 4.46Å; L329-I449 CarbonylContact C-O 3.57Å |
| 330 | A | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W194 A199 V203 C332 P448 I449 | W194-A330 HydrophobicContact CB-CB 4.2Å; W194-A330 WeakPolarHBondContact O-CA 3.21Å; A199-A330 HydrophobicContact CB-CB 3.79Å; V203-A330 HydrophobicContact CG2-CB 3.56Å; A330-C332 PolarHBondContact O-N 2.87Å; A330-P448 CarbonylContact O-C 3.49Å; A330-P448 VanDerWaalsContact O-CA 3.3Å; A330-P448 WeakPolarHBondContact O-CA 3.16Å; A330-I449 HydrophobicContact CB-CB 4.3Å; A330-I449 PolarHBondContact N-O 2.9Å; A330-I449 PolarHBondContact O-N 3.29Å |
| 331 | A | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -67 | -33 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W194 D195 L338 F349 M441 C446 | W194-A331 PolarHBondContact O-N 2.93Å; D195-A331 WeakPolarHBondContact OD1-CB 3.36Å; A331-L338 HydrophobicContact CB-CD2 3.59Å; A331-F349 HydrophobicContact CB-CB 3.61Å; A331-F349 HydrophobicContact CB-CD1 3.54Å; A331-F349 HydrophobicContact CB-CD2 4.18Å; A331-F349 HydrophobicContact CB-CE1 4.17Å; A331-F349 HydrophobicContact CB-CG 3.52Å; A331-M441 HydrophobicContact CB-CE 4.33Å; A331-M441 VanDerWaalsContact O-CE 3.24Å; A331-M441 WeakPolarHBondContact O-CE 3.35Å; A331-C446 PolarHBondContact O-SG 2.8Å; A331-C446 VanDerWaalsContact O-SG 3.41Å |
| 332 | C | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -148.2 | 164.8 | -173.6 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | C196 G198 A199 G200 A330 Q336 L338 C446 T447 | C196-C332 PolarHBondContact O-SG 3.45Å; G198-C332 PolarHBondContact N-SG 3.27Å; A199-C332 PolarHBondContact N-SG 3.06Å; G200-C332 PolarHBondContact N-O 3.5Å; A330-C332 PolarHBondContact O-N 2.87Å; C332-Q336 HydrophobicContact CB-CB 4.06Å; C332-L338 HydrophobicContact CB-CD2 4.33Å; C332-C446 WeakPolarHBondContact CB-SG 3.48Å; C332-T447 CarbonylContact C-O 3.54Å; C332-T447 VanDerWaalsContact C-O 3.24Å; C332-T447 VanDerWaalsContact CA-O 3.28Å; C332-T447 WeakPolarHBondContact CA-O 3.34Å |
| 333 | A | 95.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | trans | -66.9 | 165 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D335 Q336 T447 I449 | A333-D335 PolarHBondContact O-N 2.87Å; A333-D335 VanDerWaalsContact O-N 3.13Å; A333-Q336 HydrophobicContact CB-CB 4.27Å; A333-Q336 HydrophobicContact CB-CG 3.93Å; A333-Q336 PolarHBondContact O-N 2.74Å; A333-Q336 VanDerWaalsContact O-N 3.15Å; A333-T447 PolarHBondContact N-O 2.84Å; A333-I449 HydrophobicContact CB-CD1 4.09Å | ||
| 334 | A | 92.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | M201 | M201-A334 HydrophobicContact CG-CB 3.69Å; M201-A334 HydrophobicContact SD-CB 3.46Å; M201-A334 WeakPolarHBondContact SD-CB 3.39Å |
| 335 | D | 91.7 | Very high | 93.5 | Very high | 142 Ų | 142 | 32.2 Ų | 32.2 | 76% | 0.759 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 1 | -175.8 | 60.1 | -40.9 | 0 | 0 | 0 | 113.5 | A333 | A333-D335 PolarHBondContact O-N 2.87Å; A333-D335 VanDerWaalsContact O-N 3.13Å |
| 336 | Q | 93.5 | Very high | 93.7 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | trans | -102 | 159.3 | -175.3 | -71 | 175.4 | -9.4 | 0 | 0 | 112.5 | G198 C332 A333 | G198-Q336 PolarHBondContact N-O 2.84Å; C332-Q336 HydrophobicContact CB-CB 4.06Å; A333-Q336 HydrophobicContact CB-CB 4.27Å; A333-Q336 HydrophobicContact CB-CG 3.93Å; A333-Q336 PolarHBondContact O-N 2.74Å; A333-Q336 VanDerWaalsContact O-N 3.15Å | ||
| 337 | E | 91.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 30.4 Ų | 30.4 | 44% | 0.444 | 17% | 0.169 | S | C | . | . | trans | -117 | 156.2 | 174.4 | -65.1 | -175.4 | 171.5 | 0 | 0 | 110.4 | K157 N197 | K157-E337 IonicContact NZ-OE1 2.89Å; K157-E337 PolarHBondContact NZ-OE1 3.27Å; N197-E337 WeakPolarHBondContact OD1-CA 3.4Å | ||
| 338 | L | 93.8 | Very high | 93.6 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | trans | -72.1 | 149.8 | -178.9 | -63.5 | 174.2 | 0 | 0 | 0 | 111.6 | H153 N197 A331 C332 M441 | H153-L338 WeakPolarHBondContact NE2-CD1 3.42Å; N197-L338 WeakPolarHBondContact OD1-CG 3.34Å; N197-L338 PolarHBondContact OD1-N 2.59Å; A331-L338 HydrophobicContact CB-CD2 3.59Å; C332-L338 HydrophobicContact CB-CD2 4.33Å; L338-M441 HydrophobicContact CD2-CE 3.91Å | ||
| 339 | P | 92 | Very high | 93.7 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | trans | -61 | 137.3 | 178.5 | -25.1 | 36.5 | 0 | 0 | 0 | 113.3 | L348 Y444 C446 | P339-L348 HydrophobicContact CB-CD2 4.31Å; P339-L348 HydrophobicContact CG-CD2 4.04Å; P339-Y444 HydrophobicContact CB-CG 4.19Å; P339-Y444 HydrophobicContact CG-CG 4.32Å; P339-C446 HydrophobicContact CG-CB 4.18Å | ||
| 340 | T | 90 | Very high | 93.6 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 36% | 0.362 | 17% | 0.169 | S | C | . | . | trans | -113 | 14.9 | -177.2 | 62 | 0 | 0 | 0 | 0 | 114.3 | C81 A82 | C81-T340 WeakPolarHBondContact CA-O 3.45Å; A82-T340 PolarHBondContact N-O 2.88Å; A82-T340 VanDerWaalsContact N-O 3.09Å | ||
| 341 | H | 90 | Very high | 93.6 | Very high | 70 Ų | 70 | 30.5 Ų | 30.5 | 32% | 0.324 | 17% | 0.169 | S | C | . | . | trans | -61.5 | 130 | -176.5 | -171.1 | -77.6 | 0 | 0 | 0 | 111.5 | A82 D343 L344 Y444 | A82-H341 WeakPolarHBondContact CB-O 3.39Å; H341-D343 VanDerWaalsContact C-N 3.32Å; H341-D343 IonicContact CE1-OD2 3.54Å; H341-D343 PolarHBondContact CE1-OD2 3.31Å; H341-D343 PolarHBondContact ND1-N 2.99Å; H341-D343 PolarHBondContact O-N 3.42Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.74Å; H341-L344 HydrophobicContact CB-CG 4.01Å; H341-L344 PolarHBondContact O-N 2.68Å; H341-Y444 HydrophobicContact CB-CE1 4.42Å | ||
| 342 | P | 89.6 | Confident | 93.6 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.5 | -169.3 | 24.5 | -35.3 | 0 | 0 | 0 | 114.9 | P80 L344 | P80-P342 HydrophobicContact CB-CB 4.1Å; P80-P342 HydrophobicContact CG-CB 4.17Å; P80-P342 HydrophobicContact CG-CG 4.35Å; P342-L344 VanDerWaalsContact C-N 3.28Å; P342-L344 PolarHBondContact O-N 3.44Å |
| 343 | D | 88.8 | Confident | 93.7 | Very high | 79 Ų | 79 | 30.5 Ų | 30.5 | 42% | 0.422 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.2 | 178.3 | -57.9 | -43.2 | 0 | 0 | 0 | 113.9 | H341 L366 L376 | H341-D343 VanDerWaalsContact C-N 3.32Å; H341-D343 IonicContact CE1-OD2 3.54Å; H341-D343 PolarHBondContact CE1-OD2 3.31Å; H341-D343 PolarHBondContact ND1-N 2.99Å; H341-D343 PolarHBondContact O-N 3.42Å; D343-L366 HydrophobicContact CB-CD1 4.1Å; D343-L366 HydrophobicContact CB-CD2 4.02Å; D343-L376 HydrophobicContact CB-CD1 4.44Å |
| 344 | L | 92 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -102.2 | 154.3 | 175.9 | -63.9 | 177 | 0 | 0 | 0 | 110.9 | A82 H341 P342 L348 L362 L366 Y444 | A82-L344 VanDerWaalsContact CB-O 3.29Å; A82-L344 WeakPolarHBondContact CB-O 3.49Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.74Å; H341-L344 HydrophobicContact CB-CG 4.01Å; H341-L344 PolarHBondContact O-N 2.68Å; P342-L344 VanDerWaalsContact C-N 3.28Å; P342-L344 PolarHBondContact O-N 3.44Å; L344-L348 HydrophobicContact CD1-CD2 4.05Å; L344-L348 HydrophobicContact CD2-CD1 4.43Å; L344-L362 HydrophobicContact CD2-CD2 4.5Å; L344-L366 HydrophobicContact CD2-CD1 3.62Å; L344-L366 HydrophobicContact CG-CD1 4.34Å; L344-Y444 HydrophobicContact CD1-CD1 4.36Å; L344-Y444 HydrophobicContact CD1-CD2 4.08Å; L344-Y444 HydrophobicContact CD1-CE1 3.85Å; L344-Y444 HydrophobicContact CD1-CE2 3.54Å; L344-Y444 HydrophobicContact CD1-CG 4.48Å; L344-Y444 VanDerWaalsContact CD1-CZ 3.43Å |
| 345 | P | 94.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -65 | 147.7 | 166.8 | 28.5 | -34.2 | 0 | 0 | 0 | 111.6 | L84 W87 D347 L348 C351 | L84-P345 HydrophobicContact CB-CB 4.24Å; L84-P345 CarbonylContact O-C 3.55Å; L84-P345 WeakPolarHBondContact O-CA 3.3Å; L84-P345 WeakPolarHBondContact O-CB 3.43Å; W87-P345 HydrophobicContact CH2-CG 3.94Å; W87-P345 HydrophobicContact CZ2-CG 4.47Å; W87-P345 HydrophobicContact CZ3-CB 4.44Å; W87-P345 HydrophobicContact CZ3-CG 4.01Å; P345-D347 VanDerWaalsContact C-N 3.27Å; P345-L348 HydrophobicContact CG-CB 4.49Å; P345-L348 HydrophobicContact CG-CD1 4.04Å; P345-L348 PolarHBondContact O-N 2.93Å; P345-C351 HydrophobicContact CG-CB 4.03Å | ||
| 346 | A | 92.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 7% | 0.066 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A82 L84 E85 H153 L348 | A82-A346 HydrophobicContact CB-CB 4.31Å; L84-A346 PolarHBondContact O-N 2.8Å; E85-A346 HydrophobicContact CG-CB 4.4Å; H153-A346 PolarHBondContact CE1-O 2.95Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3Å |
| 347 | D | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 48.9 | 174.5 | 70.2 | -34.8 | 0 | 0 | 0 | 112.2 | E85 C86 P345 F349 T350 C351 | E85-D347 WeakPolarHBondContact CA-OD1 3.49Å; C86-D347 WeakPolarHBondContact CA-OD2 3.49Å; C86-D347 PolarHBondContact N-OD1 2.88Å; C86-D347 PolarHBondContact N-OD2 2.86Å; C86-D347 PolarHBondContact SG-OD2 2.89Å; P345-D347 VanDerWaalsContact C-N 3.27Å; D347-F349 PolarHBondContact O-N 2.93Å; D347-T350 PolarHBondContact O-N 2.99Å; D347-T350 VanDerWaalsContact O-N 3.17Å; D347-C351 WeakPolarHBondContact O-CB 3.27Å; D347-C351 PolarHBondContact O-N 2.81Å; D347-C351 PolarHBondContact O-SG 2.8Å; D347-C351 PolarHBondContact OD1-SG 3.39Å |
| 348 | L | 96.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.7 | -39 | -177.3 | -176.5 | 63.1 | 0 | 0 | 0 | 112.8 | P339 L344 P345 A346 C351 C352 T359 I440 M441 Y444 | P339-L348 HydrophobicContact CB-CD2 4.31Å; P339-L348 HydrophobicContact CG-CD2 4.04Å; L344-L348 HydrophobicContact CD1-CD2 4.05Å; L344-L348 HydrophobicContact CD2-CD1 4.43Å; P345-L348 HydrophobicContact CG-CB 4.49Å; P345-L348 HydrophobicContact CG-CD1 4.04Å; P345-L348 PolarHBondContact O-N 2.93Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3Å; L348-C351 PolarHBondContact O-N 3.07Å; L348-C352 PolarHBondContact O-N 2.65Å; L348-C352 PolarHBondContact O-SG 3.03Å; L348-T359 HydrophobicContact CD1-CG2 3.8Å; L348-I440 HydrophobicContact CD1-CG2 4.31Å; L348-I440 HydrophobicContact CD2-CG2 4.05Å; L348-I440 HydrophobicContact CG-CG2 4.42Å; L348-M441 HydrophobicContact CD2-CG 4.41Å; L348-Y444 HydrophobicContact CD2-CD2 4.42Å |
| 349 | F | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 178.1 | -178.6 | -118.6 | 0 | 0 | 0 | 111.3 | V193 D195 L329 A331 D347 C351 C352 L353 F434 A437 M441 P448 | V193-F349 HydrophobicContact CG1-CD1 4.46Å; V193-F349 HydrophobicContact CG1-CE1 3.88Å; D195-F349 HydrophobicContact CB-CD1 4.27Å; L329-F349 HydrophobicContact CB-CZ 4.05Å; A331-F349 HydrophobicContact CB-CB 3.61Å; A331-F349 HydrophobicContact CB-CD1 3.54Å; A331-F349 HydrophobicContact CB-CD2 4.18Å; A331-F349 HydrophobicContact CB-CE1 4.17Å; A331-F349 HydrophobicContact CB-CG 3.52Å; D347-F349 PolarHBondContact O-N 2.93Å; F349-C351 VanDerWaalsContact C-N 3.33Å; F349-C351 PolarHBondContact O-N 3.34Å; F349-C352 WeakPolarHBondContact O-CB 3.35Å; F349-C352 PolarHBondContact O-N 3.17Å; F349-L353 HydrophobicContact CD1-CD1 4.08Å; F349-L353 HydrophobicContact CE1-CD1 3.63Å; F349-L353 HydrophobicContact CE2-CD1 4.23Å; F349-L353 HydrophobicContact CE2-CG 4.38Å; F349-L353 HydrophobicContact CZ-CD1 3.73Å; F349-L353 HydrophobicContact CZ-CG 4.36Å; F349-L353 WeakPolarHBondContact O-CG 3.3Å; F349-L353 PolarHBondContact O-N 3.2Å; F349-F434 AromaticContact CE2-CD2 3.8Å; F349-F434 HydrophobicContact CE2-CD2 3.8Å; F349-F434 AromaticContact CE2-CE2 3.86Å; F349-F434 HydrophobicContact CE2-CE2 3.86Å; F349-F434 AromaticContact CZ-CD2 4Å; F349-F434 HydrophobicContact CZ-CD2 4Å; F349-F434 HydrophobicContact CZ-CE2 4.01Å; F349-A437 HydrophobicContact CD2-CB 3.89Å; F349-A437 HydrophobicContact CE2-CB 4.01Å; F349-M441 HydrophobicContact CB-CE 4.07Å; F349-M441 HydrophobicContact CB-SD 3.76Å; F349-M441 HydrophobicContact CD2-SD 3.59Å; F349-M441 VanDerWaalsContact CD2-SD 3.59Å; F349-M441 HydrophobicContact CG-SD 4.11Å; F349-P448 HydrophobicContact CE2-CB 4.04Å |
| 350 | T | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | L106 H149 D195 D347 C352 L353 T354 | L106-T350 HydrophobicContact CD1-CG2 3.5Å; L106-T350 VanDerWaalsContact CD1-CG2 3.5Å; H149-T350 PolarHBondContact CE1-OG1 2.85Å; H149-T350 PolarHBondContact NE2-OG1 3.47Å; D195-T350 VanDerWaalsContact OD2-CB 3.32Å; D195-T350 WeakPolarHBondContact OD2-CB 3.34Å; D195-T350 PolarHBondContact OD2-N 3.17Å; D195-T350 PolarHBondContact OD2-OG1 2.98Å; D347-T350 PolarHBondContact O-N 2.99Å; D347-T350 VanDerWaalsContact O-N 3.17Å; T350-C352 VanDerWaalsContact C-N 3.32Å; T350-C352 PolarHBondContact O-N 2.84Å; T350-L353 PolarHBondContact O-N 3.05Å; T350-T354 HydrophobicContact CG2-CG2 4.18Å; T350-T354 WeakPolarHBondContact O-CG2 3.29Å; T350-T354 PolarHBondContact O-N 2.87Å; T350-T354 PolarHBondContact O-OG1 3.02Å |
| 351 | C | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 177.5 | -75.8 | 0 | 0 | 0 | 0 | 112.8 | W87 P345 D347 L348 F349 T355 T359 | W87-C351 VanDerWaalsContact CE2-SG 3.57Å; W87-C351 HydrophobicContact CH2-CB 4.48Å; W87-C351 HydrophobicContact CZ2-CB 3.73Å; P345-C351 HydrophobicContact CG-CB 4.03Å; D347-C351 WeakPolarHBondContact O-CB 3.27Å; D347-C351 PolarHBondContact O-N 2.81Å; D347-C351 PolarHBondContact O-SG 2.8Å; D347-C351 PolarHBondContact OD1-SG 3.39Å; L348-C351 PolarHBondContact O-N 3.07Å; F349-C351 VanDerWaalsContact C-N 3.33Å; F349-C351 PolarHBondContact O-N 3.34Å; C351-T355 CarbonylContact O-C 3.54Å; C351-T355 VanDerWaalsContact O-CA 3.31Å; C351-T355 WeakPolarHBondContact O-CA 3.38Å; C351-T355 PolarHBondContact O-N 2.83Å; C351-T355 PolarHBondContact O-OG1 2.87Å; C351-T359 VanDerWaalsContact C-OG1 3.29Å; C351-T359 PolarHBondContact O-OG1 3.19Å |
| 352 | C | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 172.5 | -69.5 | 0 | 0 | 0 | 0 | 110.9 | L348 F349 T350 P356 N433 A437 | L348-C352 PolarHBondContact O-N 2.65Å; L348-C352 PolarHBondContact O-SG 3.03Å; F349-C352 WeakPolarHBondContact O-CB 3.35Å; F349-C352 PolarHBondContact O-N 3.17Å; T350-C352 VanDerWaalsContact C-N 3.32Å; T350-C352 PolarHBondContact O-N 2.84Å; C352-P356 WeakPolarHBondContact O-CA 3.07Å; C352-N433 WeakPolarHBondContact O-CB 3.31Å; C352-A437 HydrophobicContact CB-CB 3.63Å |
| 353 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.9 | -33.9 | -176.6 | -67.3 | -176.1 | 0 | 0 | 0 | 113.9 | V193 L329 F349 T350 L430 N433 F434 | V193-L353 HydrophobicContact CG1-CD1 3.76Å; L329-L353 HydrophobicContact CD1-CD1 4.37Å; L329-L353 HydrophobicContact CD1-CD2 4.49Å; F349-L353 HydrophobicContact CD1-CD1 4.08Å; F349-L353 HydrophobicContact CE1-CD1 3.63Å; F349-L353 HydrophobicContact CE2-CD1 4.23Å; F349-L353 HydrophobicContact CE2-CG 4.38Å; F349-L353 HydrophobicContact CZ-CD1 3.73Å; F349-L353 HydrophobicContact CZ-CG 4.36Å; F349-L353 WeakPolarHBondContact O-CG 3.3Å; F349-L353 PolarHBondContact O-N 3.2Å; T350-L353 PolarHBondContact O-N 3.05Å; L353-L430 HydrophobicContact CB-CD2 4.11Å; L353-L430 HydrophobicContact CD1-CD2 4.48Å; L353-L430 WeakPolarHBondContact CD2-O 3.16Å; L353-N433 HydrophobicContact CD2-CB 4.33Å; L353-N433 WeakPolarHBondContact O-CB 3.39Å; L353-N433 PolarHBondContact O-ND2 2.86Å; L353-F434 HydrophobicContact CD2-CB 3.93Å; L353-F434 HydrophobicContact CD2-CD2 4.42Å |
| 354 | T | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -108.7 | -25.4 | -170.2 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | L106 Q109 Y110 W113 T350 | L106-T354 HydrophobicContact CD1-CG2 4.29Å; Q109-T354 HydrophobicContact CB-CG2 4.47Å; Q109-T354 PolarHBondContact OE1-OG1 3.34Å; Y110-T354 HydrophobicContact CD2-CG2 4.19Å; Y110-T354 HydrophobicContact CE1-CG2 4.42Å; Y110-T354 HydrophobicContact CE2-CG2 3.88Å; W113-T354 PolarHBondContact NE1-O 2.93Å; W113-T354 VanDerWaalsContact NE1-O 3.09Å; T350-T354 HydrophobicContact CG2-CG2 4.18Å; T350-T354 WeakPolarHBondContact O-CG2 3.29Å; T350-T354 PolarHBondContact O-N 2.87Å; T350-T354 PolarHBondContact O-OG1 3.02Å |
| 355 | T | 96.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 7.7 Ų | 7.7 | 6% | 0.061 | 4% | 0.035 | C | C | . | . | trans | -135.2 | 60.4 | -178.2 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | W87 Q109 C351 I357 R358 T359 | W87-T355 PolarHBondContact NE1-OG1 2.75Å; Q109-T355 HydrophobicContact CB-CG2 4.5Å; Q109-T355 HydrophobicContact CG-CG2 3.91Å; C351-T355 CarbonylContact O-C 3.54Å; C351-T355 VanDerWaalsContact O-CA 3.31Å; C351-T355 WeakPolarHBondContact O-CA 3.38Å; C351-T355 PolarHBondContact O-N 2.83Å; C351-T355 PolarHBondContact O-OG1 2.87Å; T355-I357 PolarHBondContact O-N 3.04Å; T355-R358 PolarHBondContact O-N 3.28Å; T355-T359 PolarHBondContact O-N 3.29Å; T355-T359 VanDerWaalsContact O-N 3.1Å; T355-T359 PolarHBondContact O-OG1 3.21Å | ||
| 356 | P | 96.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 8.8 Ų | 8.8 | 3% | 0.032 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | -167.9 | 25 | -35.8 | 0 | 0 | 0 | 113.1 | W113 C352 R358 T359 A360 F400 N433 L436 | W113-P356 HydrophobicContact CH2-CG 4.23Å; W113-P356 HydrophobicContact CZ2-CG 3.98Å; C352-P356 WeakPolarHBondContact O-CA 3.07Å; P356-R358 PolarHBondContact O-N 3Å; P356-T359 PolarHBondContact O-N 3.43Å; P356-A360 VanDerWaalsContact O-CB 3.25Å; P356-A360 WeakPolarHBondContact O-CB 3.28Å; P356-A360 PolarHBondContact O-N 2.81Å; P356-F400 HydrophobicContact CB-CD1 4.43Å; P356-F400 HydrophobicContact CB-CE1 3.65Å; P356-F400 HydrophobicContact CB-CZ 3.7Å; P356-F400 HydrophobicContact CG-CE1 3.97Å; P356-N433 HydrophobicContact CB-CB 4.45Å; P356-L436 HydrophobicContact CB-CD2 3.64Å; P356-L436 VanDerWaalsContact O-CD2 3.31Å; P356-L436 WeakPolarHBondContact O-CD2 3.32Å |
| 357 | I | 96.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 4% | 0.036 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | -177.6 | -52.8 | -55 | 0 | 0 | 0 | 111.3 | T355 T359 A360 V361 L386 L393 L396 N397 F400 W466 | T355-I357 PolarHBondContact O-N 3.04Å; I357-T359 VanDerWaalsContact C-N 3.29Å; I357-T359 PolarHBondContact O-N 3.21Å; I357-A360 PolarHBondContact O-N 3.24Å; I357-V361 HydrophobicContact CG2-CG2 4.38Å; I357-V361 VanDerWaalsContact O-CG2 3.29Å; I357-V361 WeakPolarHBondContact O-CG2 3.46Å; I357-V361 PolarHBondContact O-N 2.67Å; I357-L386 HydrophobicContact CG1-CD2 4.26Å; I357-L393 HydrophobicContact CG2-CD1 4.1Å; I357-L396 HydrophobicContact CG2-CB 4.42Å; I357-N397 HydrophobicContact CD1-CB 4.43Å; I357-N397 HydrophobicContact CG1-CB 4.19Å; I357-F400 HydrophobicContact CD1-CB 3.49Å; I357-F400 VanDerWaalsContact CD1-CB 3.49Å; I357-F400 HydrophobicContact CD1-CD1 3.9Å; I357-F400 HydrophobicContact CD1-CD2 4.22Å; I357-F400 HydrophobicContact CD1-CG 3.59Å; I357-W466 HydrophobicContact CD1-CH2 4.06Å |
| 358 | R | 94.8 | Very high | 94.9 | Very high | 75 Ų | 75 | 15.5 Ų | 15.5 | 28% | 0.283 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 176.6 | -167.4 | -176.1 | 166.6 | 130.1 | 3.5 | 110.7 | W87 T355 P356 L362 V379 D380 | W87-R358 VanDerWaalsContact CE2-CD 3.44Å; W87-R358 VanDerWaalsContact CE3-NE 3.33Å; W87-R358 HydrophobicContact CH2-CG 4.27Å; W87-R358 HydrophobicContact CZ2-CB 4.32Å; W87-R358 HydrophobicContact CZ2-CG 3.99Å; T355-R358 PolarHBondContact O-N 3.28Å; P356-R358 PolarHBondContact O-N 3Å; R358-L362 WeakPolarHBondContact O-CB 3.42Å; R358-L362 PolarHBondContact O-N 3.47Å; R358-L362 VanDerWaalsContact O-N 3.14Å; R358-V379 HydrophobicContact CB-CG1 4.29Å; R358-V379 HydrophobicContact CG-CG1 3.38Å; R358-V379 WeakPolarHBondContact O-CG1 3.46Å; R358-D380 IonicContact CZ-OD1 2.92Å; R358-D380 IonicContact CZ-OD2 2.83Å; R358-D380 IonicContact NE-OD1 3.92Å; R358-D380 IonicContact NH1-OD1 2.84Å; R358-D380 PolarHBondContact NH1-OD1 2.75Å; R358-D380 IonicContact NH1-OD2 3.76Å; R358-D380 IonicContact NH2-OD1 2.88Å; R358-D380 PolarHBondContact NH2-OD1 2.81Å; R358-D380 IonicContact NH2-OD2 3.51Å; R358-D380 PolarHBondContact NH2-OD2 2.66Å |
| 359 | T | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.3 | -41 | -178.4 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | W87 L348 C351 T355 P356 I357 L362 W363 I440 | W87-T359 WeakPolarHBondContact CZ2-OG1 3.46Å; L348-T359 HydrophobicContact CD1-CG2 3.8Å; C351-T359 VanDerWaalsContact C-OG1 3.29Å; C351-T359 PolarHBondContact O-OG1 3.19Å; T355-T359 PolarHBondContact O-N 3.29Å; T355-T359 VanDerWaalsContact O-N 3.1Å; T355-T359 PolarHBondContact O-OG1 3.21Å; P356-T359 PolarHBondContact O-N 3.43Å; I357-T359 VanDerWaalsContact C-N 3.29Å; I357-T359 PolarHBondContact O-N 3.21Å; T359-L362 PolarHBondContact O-N 3.35Å; T359-W363 VanDerWaalsContact O-CB 3.28Å; T359-W363 WeakPolarHBondContact O-CB 3.47Å; T359-W363 PolarHBondContact O-N 2.91Å; T359-I440 HydrophobicContact CG2-CD1 3.97Å |
| 360 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | P356 I357 W363 Y364 L436 W466 | P356-A360 VanDerWaalsContact O-CB 3.25Å; P356-A360 WeakPolarHBondContact O-CB 3.28Å; P356-A360 PolarHBondContact O-N 2.81Å; I357-A360 PolarHBondContact O-N 3.24Å; A360-W363 PolarHBondContact O-N 2.82Å; A360-Y364 VanDerWaalsContact O-CB 3.24Å; A360-Y364 WeakPolarHBondContact O-CB 3.25Å; A360-Y364 PolarHBondContact O-N 2.83Å; A360-L436 HydrophobicContact CB-CD1 4.03Å; A360-L436 HydrophobicContact CB-CD2 4.01Å; A360-W466 HydrophobicContact CB-CZ2 4Å |
| 361 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | I357 W363 Y364 I365 V379 I382 L470 L474 | I357-V361 HydrophobicContact CG2-CG2 4.38Å; I357-V361 VanDerWaalsContact O-CG2 3.29Å; I357-V361 WeakPolarHBondContact O-CG2 3.46Å; I357-V361 PolarHBondContact O-N 2.67Å; V361-W363 PolarHBondContact O-N 3.03Å; V361-Y364 PolarHBondContact O-N 2.94Å; V361-I365 HydrophobicContact CG1-CD1 3.98Å; V361-I365 WeakPolarHBondContact O-CG1 3.33Å; V361-I365 PolarHBondContact O-N 2.79Å; V361-V379 HydrophobicContact CB-CG2 4.36Å; V361-V379 HydrophobicContact CG1-CG2 3.92Å; V361-I382 HydrophobicContact CG1-CD1 4.44Å; V361-I382 HydrophobicContact CG2-CD1 4.11Å; V361-L470 HydrophobicContact CG2-CD2 3.89Å; V361-L474 HydrophobicContact CG1-CD1 4.33Å; V361-L474 HydrophobicContact CG1-CD2 3.97Å |
| 362 | L | 94.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -50.8 | 176.1 | 175.7 | 60.5 | 0 | 0 | 0 | 111.2 | W87 L344 R358 T359 Y364 I365 L366 L376 V379 | W87-L362 HydrophobicContact CH2-CD2 3.83Å; W87-L362 HydrophobicContact CZ3-CD2 3.74Å; L344-L362 HydrophobicContact CD2-CD2 4.5Å; R358-L362 WeakPolarHBondContact O-CB 3.42Å; R358-L362 PolarHBondContact O-N 3.47Å; R358-L362 VanDerWaalsContact O-N 3.14Å; T359-L362 PolarHBondContact O-N 3.35Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 2.62Å; L362-I365 PolarHBondContact O-N 2.82Å; L362-L366 HydrophobicContact CD1-CD1 4.03Å; L362-L366 HydrophobicContact CD1-CG 4.35Å; L362-L366 HydrophobicContact CG-CD1 4.13Å; L362-L366 WeakPolarHBondContact O-CG 3.34Å; L362-L366 PolarHBondContact O-N 3.16Å; L362-L366 VanDerWaalsContact O-N 3.13Å; L362-L376 HydrophobicContact CD1-CD2 3.82Å; L362-V379 HydrophobicContact CB-CG2 4.2Å |
| 363 | W | 94 | Very high | 90.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 178.6 | 173.2 | 76.8 | 0 | 0 | 0 | 112 | T359 A360 V361 I365 L366 N367 I440 S443 Y444 | T359-W363 VanDerWaalsContact O-CB 3.28Å; T359-W363 WeakPolarHBondContact O-CB 3.47Å; T359-W363 PolarHBondContact O-N 2.91Å; A360-W363 PolarHBondContact O-N 2.82Å; V361-W363 PolarHBondContact O-N 3.03Å; W363-I365 PolarHBondContact O-N 3.05Å; W363-L366 PolarHBondContact O-N 3.32Å; W363-N367 HydrophobicContact CD2-CB 4.42Å; W363-N367 HydrophobicContact CZ2-CB 4.27Å; W363-N367 VanDerWaalsContact O-CB 3.22Å; W363-N367 WeakPolarHBondContact O-CB 3.38Å; W363-N367 PolarHBondContact O-N 3.08Å; W363-I440 HydrophobicContact CB-CD1 3.86Å; W363-I440 HydrophobicContact CB-CG1 4.21Å; W363-I440 HydrophobicContact CB-CG2 4.44Å; W363-I440 HydrophobicContact CD2-CD1 4.37Å; W363-I440 HydrophobicContact CD2-CG1 3.83Å; W363-I440 HydrophobicContact CE3-CG1 4.23Å; W363-I440 HydrophobicContact CG-CB 4.44Å; W363-I440 HydrophobicContact CG-CD1 4.03Å; W363-I440 HydrophobicContact CG-CG1 3.81Å; W363-I440 HydrophobicContact CG-CG2 4.05Å; W363-S443 PolarHBondContact NE1-OG 3.3Å; W363-Y444 AromaticContact CD1-CE2 3.81Å |
| 364 | Y | 93.6 | Very high | 89.8 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 179.4 | -174.8 | -91.2 | 0 | 0 | 0 | 112 | A360 V361 L362 L366 N368 L370 D467 L470 D471 L474 | A360-Y364 VanDerWaalsContact O-CB 3.24Å; A360-Y364 WeakPolarHBondContact O-CB 3.25Å; A360-Y364 PolarHBondContact O-N 2.83Å; V361-Y364 PolarHBondContact O-N 2.94Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 2.62Å; Y364-L366 PolarHBondContact O-N 3.42Å; Y364-N368 VanDerWaalsContact CD2-ND2 3.27Å; Y364-N368 WeakPolarHBondContact CD2-ND2 3.1Å; Y364-N368 WeakPolarHBondContact CE1-ND2 2.98Å; Y364-N368 WeakPolarHBondContact CE2-ND2 3.39Å; Y364-N368 WeakPolarHBondContact O-CB 3.32Å; Y364-N368 PolarHBondContact O-N 3.14Å; Y364-N368 PolarHBondContact O-ND2 2.77Å; Y364-N368 VanDerWaalsContact O-ND2 3.16Å; Y364-L370 HydrophobicContact CD1-CD1 4.24Å; Y364-L370 HydrophobicContact CE1-CD1 3.9Å; Y364-D467 HydrophobicContact CE2-CB 3.8Å; Y364-D467 PolarHBondContact OH-O 2.85Å; Y364-L470 HydrophobicContact CD1-CB 4.45Å; Y364-L470 HydrophobicContact CD2-CB 4.46Å; Y364-L470 HydrophobicContact CD2-CD1 3.98Å; Y364-L470 HydrophobicContact CE1-CB 4.47Å; Y364-L470 HydrophobicContact CE2-CB 4.47Å; Y364-L470 HydrophobicContact CG-CB 4.46Å; Y364-L470 HydrophobicContact CG-CD1 3.95Å; Y364-D471 WeakPolarHBondContact OH-CB 3.48Å; Y364-L474 HydrophobicContact CD1-CD1 3.97Å; Y364-L474 HydrophobicContact CE1-CD1 4.3Å |
| 365 | I | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 177.1 | -67.1 | 167.6 | 0 | 0 | 0 | 110.9 | V361 L362 W363 R369 L370 T371 L376 I378 V379 L474 | V361-I365 HydrophobicContact CG1-CD1 3.98Å; V361-I365 WeakPolarHBondContact O-CG1 3.33Å; V361-I365 PolarHBondContact O-N 2.79Å; L362-I365 PolarHBondContact O-N 2.82Å; W363-I365 PolarHBondContact O-N 3.05Å; I365-R369 PolarHBondContact O-N 3.03Å; I365-L370 HydrophobicContact CG2-CB 4.12Å; I365-L370 PolarHBondContact O-N 3.02Å; I365-T371 HydrophobicContact CG2-CG2 4.03Å; I365-L376 HydrophobicContact CG2-CD2 3.84Å; I365-I378 HydrophobicContact CD1-CG2 3.79Å; I365-V379 HydrophobicContact CD1-CG2 4.15Å; I365-L474 HydrophobicContact CG1-CD1 4.36Å |
| 366 | L | 91.5 | Very high | 88.3 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -49.3 | -179.7 | -68.6 | 173.4 | 0 | 0 | 0 | 111.9 | D343 L344 L362 W363 Y364 N368 R369 T371 L376 | D343-L366 HydrophobicContact CB-CD1 4.1Å; D343-L366 HydrophobicContact CB-CD2 4.02Å; L344-L366 HydrophobicContact CD2-CD1 3.62Å; L344-L366 HydrophobicContact CG-CD1 4.34Å; L362-L366 HydrophobicContact CD1-CD1 4.03Å; L362-L366 HydrophobicContact CD1-CG 4.35Å; L362-L366 HydrophobicContact CG-CD1 4.13Å; L362-L366 WeakPolarHBondContact O-CG 3.34Å; L362-L366 PolarHBondContact O-N 3.16Å; L362-L366 VanDerWaalsContact O-N 3.13Å; W363-L366 PolarHBondContact O-N 3.32Å; Y364-L366 PolarHBondContact O-N 3.42Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-N368 PolarHBondContact O-N 2.69Å; L366-R369 PolarHBondContact O-N 3.44Å; L366-R369 VanDerWaalsContact O-N 3.14Å; L366-T371 HydrophobicContact CD2-CG2 3.97Å; L366-L376 HydrophobicContact CD2-CD2 4.16Å; L366-L376 HydrophobicContact CG-CD2 4.49Å |
| 367 | N | 89.5 | Confident | 87.6 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | -176.4 | -168.3 | 64.1 | 0 | 0 | 0 | 111.8 | W363 R369 | W363-N367 HydrophobicContact CD2-CB 4.42Å; W363-N367 HydrophobicContact CZ2-CB 4.27Å; W363-N367 VanDerWaalsContact O-CB 3.22Å; W363-N367 WeakPolarHBondContact O-CB 3.38Å; W363-N367 PolarHBondContact O-N 3.08Å; N367-R369 VanDerWaalsContact C-N 3.32Å |
| 368 | N | 88.3 | Confident | 87 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7.5 | 177.9 | -63.3 | -45.7 | 0 | 0 | 0 | 113.9 | Y364 L366 L370 | Y364-N368 VanDerWaalsContact CD2-ND2 3.27Å; Y364-N368 WeakPolarHBondContact CD2-ND2 3.1Å; Y364-N368 WeakPolarHBondContact CE1-ND2 2.98Å; Y364-N368 WeakPolarHBondContact CE2-ND2 3.39Å; Y364-N368 WeakPolarHBondContact O-CB 3.32Å; Y364-N368 PolarHBondContact O-N 3.14Å; Y364-N368 PolarHBondContact O-ND2 2.77Å; Y364-N368 VanDerWaalsContact O-ND2 3.16Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-N368 PolarHBondContact O-N 2.69Å; N368-L370 HydrophobicContact CB-CD1 4.1Å; N368-L370 HydrophobicContact CB-CG 3.97Å; N368-L370 PolarHBondContact O-N 2.87Å |
| 369 | R | 84.5 | Confident | 86.5 | Confident | 217 Ų | 217 | 56.9 Ų | 56.9 | 82% | 0.819 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 35.6 | 177.8 | -53.7 | -178.8 | -179.9 | -176.3 | -0.1 | 113.9 | I365 L366 N367 T371 | I365-R369 PolarHBondContact O-N 3.03Å; L366-R369 PolarHBondContact O-N 3.44Å; L366-R369 VanDerWaalsContact O-N 3.14Å; N367-R369 VanDerWaalsContact C-N 3.32Å; R369-T371 VanDerWaalsContact C-N 3.26Å; R369-T371 PolarHBondContact O-N 3.36Å |
| 370 | L | 82.8 | Confident | 85.9 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -82.4 | 0.7 | -177.9 | -64.7 | 175 | 0 | 0 | 0 | 113.5 | Y364 I365 N368 R372 K373 L374 | Y364-L370 HydrophobicContact CD1-CD1 4.24Å; Y364-L370 HydrophobicContact CE1-CD1 3.9Å; I365-L370 HydrophobicContact CG2-CB 4.12Å; I365-L370 PolarHBondContact O-N 3.02Å; N368-L370 HydrophobicContact CB-CD1 4.1Å; N368-L370 HydrophobicContact CB-CG 3.97Å; N368-L370 PolarHBondContact O-N 2.87Å; L370-R372 PolarHBondContact O-N 3.02Å; L370-K373 PolarHBondContact O-N 3.19Å; L370-L374 HydrophobicContact CB-CD1 4.3Å; L370-L374 HydrophobicContact CD1-CD1 4.43Å; L370-L374 PolarHBondContact O-N 2.79Å |
| 371 | T | 79.5 | Confident | 85.4 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.6 | -21.3 | -177.8 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | I365 L366 R369 L376 | I365-T371 HydrophobicContact CG2-CG2 4.03Å; L366-T371 HydrophobicContact CD2-CG2 3.97Å; R369-T371 VanDerWaalsContact C-N 3.26Å; R369-T371 PolarHBondContact O-N 3.36Å; T371-L376 HydrophobicContact CG2-CD2 4.1Å |
| 372 | R | 75 | Confident | 85.2 | Confident | 244 Ų | 244 | 66.6 Ų | 66.6 | 92% | 0.921 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -75.8 | -27.5 | 173.7 | -67.9 | -174.8 | 179.6 | 176.3 | 0 | 113.6 | L370 | L370-R372 PolarHBondContact O-N 3.02Š|
| 373 | K | 76.3 | Confident | 85 | Confident | 168 Ų | 168 | 68.2 Ų | 68.2 | 73% | 0.73 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -32.9 | -177 | -67.1 | -175.4 | 177.3 | -177.5 | 0 | 112.2 | L370 | L370-K373 PolarHBondContact O-N 3.19Š|
| 374 | L | 78.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -125.8 | 120.7 | -172.7 | -80.8 | 145.6 | 0 | 0 | 0 | 109.6 | L370 I378 L474 T478 | L370-L374 HydrophobicContact CB-CD1 4.3Å; L370-L374 HydrophobicContact CD1-CD1 4.43Å; L370-L374 PolarHBondContact O-N 2.79Å; L374-I378 HydrophobicContact CD2-CD1 3.4Å; L374-I378 HydrophobicContact CD2-CG2 4.26Å; L374-L474 HydrophobicContact CD1-CB 4.48Å; L374-T478 VanDerWaalsContact CD2-OG1 3.26Å; L374-T478 WeakPolarHBondContact CD2-OG1 3.34Å |
| 375 | P | 80.7 | Confident | 84.5 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | trans | -67.4 | 141.8 | 172.5 | 29.6 | -33.6 | 0 | 0 | 0 | 109.8 | S377 I378 | P375-S377 PolarHBondContact O-N 3.13Å; P375-I378 WeakPolarHBondContact O-CB 3.39Å; P375-I378 VanDerWaalsContact O-CG2 3.28Å; P375-I378 WeakPolarHBondContact O-CG2 3.36Å; P375-I378 PolarHBondContact O-N 2.99Å | ||
| 376 | L | 82 | Confident | 84.4 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -59.3 | -21.8 | 178.6 | -65 | 179 | 0 | 0 | 0 | 113 | D343 L362 I365 L366 T371 I378 V379 | D343-L376 HydrophobicContact CB-CD1 4.44Å; L362-L376 HydrophobicContact CD1-CD2 3.82Å; I365-L376 HydrophobicContact CG2-CD2 3.84Å; L366-L376 HydrophobicContact CD2-CD2 4.16Å; L366-L376 HydrophobicContact CG-CD2 4.49Å; T371-L376 HydrophobicContact CG2-CD2 4.1Å; L376-I378 PolarHBondContact O-N 2.99Å; L376-V379 WeakPolarHBondContact O-CB 3.17Å; L376-V379 WeakPolarHBondContact O-CG2 3.38Å; L376-V379 PolarHBondContact O-N 2.89Å |
| 377 | S | 81 | Confident | 84.2 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 47% | 0.469 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -64.9 | -15.7 | 175.3 | 58.7 | 0 | 0 | 0 | 0 | 114 | P375 V379 D380 N381 | P375-S377 PolarHBondContact O-N 3.13Å; S377-V379 PolarHBondContact O-N 2.83Å; S377-D380 PolarHBondContact O-N 3.38Å; S377-D380 VanDerWaalsContact O-N 3.16Å; S377-N381 PolarHBondContact O-ND2 2.81Å; S377-N381 VanDerWaalsContact O-ND2 3.09Å |
| 378 | I | 83.1 | Confident | 84.2 | Confident | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -61.1 | -29.6 | 177 | -160.4 | 170.2 | 0 | 0 | 0 | 112.1 | I365 L374 P375 L376 D380 N381 I382 L477 | I365-I378 HydrophobicContact CD1-CG2 3.79Å; L374-I378 HydrophobicContact CD2-CD1 3.4Å; L374-I378 HydrophobicContact CD2-CG2 4.26Å; P375-I378 WeakPolarHBondContact O-CB 3.39Å; P375-I378 VanDerWaalsContact O-CG2 3.28Å; P375-I378 WeakPolarHBondContact O-CG2 3.36Å; P375-I378 PolarHBondContact O-N 2.99Å; L376-I378 PolarHBondContact O-N 2.99Å; I378-D380 PolarHBondContact O-N 2.92Å; I378-N381 CarbonylContact O-C 3.52Å; I378-N381 PolarHBondContact O-N 3.35Å; I378-I382 WeakPolarHBondContact O-CG1 3.33Å; I378-I382 PolarHBondContact O-N 3.02Å; I378-L477 HydrophobicContact CD1-CB 4.24Å |
| 379 | V | 84.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -56.8 | -32.8 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R358 V361 L362 I365 L376 S377 | R358-V379 HydrophobicContact CB-CG1 4.29Å; R358-V379 HydrophobicContact CG-CG1 3.38Å; R358-V379 WeakPolarHBondContact O-CG1 3.46Å; V361-V379 HydrophobicContact CB-CG2 4.36Å; V361-V379 HydrophobicContact CG1-CG2 3.92Å; L362-V379 HydrophobicContact CB-CG2 4.2Å; I365-V379 HydrophobicContact CD1-CG2 4.15Å; L376-V379 WeakPolarHBondContact O-CB 3.17Å; L376-V379 WeakPolarHBondContact O-CG2 3.38Å; L376-V379 PolarHBondContact O-N 2.89Å; S377-V379 PolarHBondContact O-N 2.83Å |
| 380 | D | 83.9 | Confident | 84.3 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -89.5 | -14.5 | 179.4 | -74 | -36.2 | 0 | 0 | 0 | 113.9 | R358 S377 I378 | R358-D380 IonicContact CZ-OD1 2.92Å; R358-D380 IonicContact CZ-OD2 2.83Å; R358-D380 IonicContact NE-OD1 3.92Å; R358-D380 IonicContact NH1-OD1 2.84Å; R358-D380 PolarHBondContact NH1-OD1 2.75Å; R358-D380 IonicContact NH1-OD2 3.76Å; R358-D380 IonicContact NH2-OD1 2.88Å; R358-D380 PolarHBondContact NH2-OD1 2.81Å; R358-D380 IonicContact NH2-OD2 3.51Å; R358-D380 PolarHBondContact NH2-OD2 2.66Å; S377-D380 PolarHBondContact O-N 3.38Å; S377-D380 VanDerWaalsContact O-N 3.16Å; I378-D380 PolarHBondContact O-N 2.92Å |
| 381 | N | 85 | Confident | 84.7 | Confident | 101 Ų | 101 | 82.1 Ų | 82.1 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | trans | -113.2 | 16.2 | -172.3 | -64.4 | -44.1 | 0 | 0 | 0 | 113.2 | S377 I378 P383 | S377-N381 PolarHBondContact O-ND2 2.81Å; S377-N381 VanDerWaalsContact O-ND2 3.09Å; I378-N381 CarbonylContact O-C 3.52Å; I378-N381 PolarHBondContact O-N 3.35Å; N381-P383 WeakPolarHBondContact O-CD 3.3Å | ||
| 382 | I | 89.5 | Confident | 85.2 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | trans | -64.1 | 120.8 | 173.1 | -55 | -178.5 | 0 | 0 | 0 | 108.3 | V361 I378 P392 L393 L477 | V361-I382 HydrophobicContact CG1-CD1 4.44Å; V361-I382 HydrophobicContact CG2-CD1 4.11Å; I378-I382 WeakPolarHBondContact O-CG1 3.33Å; I378-I382 PolarHBondContact O-N 3.02Å; I382-P392 HydrophobicContact CG2-CB 4.33Å; I382-L393 HydrophobicContact CB-CB 4.48Å; I382-L393 HydrophobicContact CB-CD1 4.35Å; I382-L393 HydrophobicContact CG2-CB 3.83Å; I382-L393 HydrophobicContact CG2-CD1 4.25Å; I382-L477 HydrophobicContact CG1-CD1 4.44Å; I382-L477 HydrophobicContact CG2-CD1 4.18Å | ||
| 383 | P | 89.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | trans | -67.3 | 140.9 | -173.9 | 26.2 | -33.8 | 0 | 0 | 0 | 111.6 | N381 P392 L393 L477 | N381-P383 WeakPolarHBondContact O-CD 3.3Å; P383-P392 HydrophobicContact CG-CG 4Å; P383-P392 WeakPolarHBondContact O-CD 3.45Å; P383-L393 WeakPolarHBondContact O-CB 3.36Å; P383-L393 PolarHBondContact O-N 2.84Å; P383-L477 HydrophobicContact CG-CD2 3.82Å | ||
| 384 | G | 89 | Confident | 86.9 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 112.8 | -163.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T391 | G384-T391 VanDerWaalsContact CA-CB 3.5Å; G384-T391 WeakPolarHBondContact CA-OG1 3.48Å |
| 385 | Q | 89.6 | Confident | 87.6 | Confident | 137 Ų | 137 | 60.9 Ų | 60.9 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | trans | -129.9 | 144.2 | 179.3 | -64.4 | -174.1 | -2.4 | 0 | 0 | 109.9 | N387 D388 T391 G394 | Q385-N387 PolarHBondContact O-N 3.23Å; Q385-D388 HydrophobicContact CB-CB 4.39Å; Q385-D388 PolarHBondContact O-N 3.19Å; Q385-T391 PolarHBondContact N-OG1 3.42Å; Q385-T391 PolarHBondContact O-OG1 3.07Å; Q385-G394 VanDerWaalsContact O-CA 3.31Å; Q385-G394 WeakPolarHBondContact O-CA 3.43Å; Q385-G394 PolarHBondContact O-N 3.41Å | ||
| 386 | L | 88.8 | Confident | 88.3 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.9 | -178.4 | -71.1 | 168 | 0 | 0 | 0 | 114.4 | I357 L393 N397 | I357-L386 HydrophobicContact CG1-CD2 4.26Å; L386-L393 HydrophobicContact CD2-CD1 3.85Å; L386-L393 HydrophobicContact CD2-CD2 4.37Å; L386-L393 HydrophobicContact CD2-CG 3.88Å; L386-L393 HydrophobicContact CG-CD2 4.3Å; L386-L393 HydrophobicContact CG-CG 4.26Å; L386-N397 HydrophobicContact CD2-CB 3.87Å; L386-N397 PolarHBondContact O-ND2 3.32Å |
| 387 | N | 87.9 | Confident | 89 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -16.1 | -179.3 | -63.1 | -18.5 | 0 | 0 | 0 | 112.8 | Q385 | Q385-N387 PolarHBondContact O-N 3.23Š|
| 388 | D | 88.8 | Confident | 89.6 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | trans | -97 | 96.6 | -178.7 | -172.2 | -1.2 | 0 | 0 | 0 | 111 | Q385 R390 T391 G394 | Q385-D388 HydrophobicContact CB-CB 4.39Å; Q385-D388 PolarHBondContact O-N 3.19Å; D388-R390 PolarHBondContact O-N 3.32Å; D388-R390 WeakPolarHBondContact OD1-CB 3.4Å; D388-R390 PolarHBondContact OD1-N 2.95Å; D388-R390 VanDerWaalsContact OD1-N 3.08Å; D388-T391 HydrophobicContact CB-CG2 4.1Å; D388-T391 PolarHBondContact O-N 2.98Å; D388-T391 PolarHBondContact O-OG1 3.03Å; D388-G394 WeakPolarHBondContact O-CA 3.38Å | ||
| 389 | R | 89.2 | Confident | 90.2 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.5 | -178.2 | -61.6 | 174.4 | -178.8 | -172.9 | -1.7 | 114.4 | T391 W398 L564 | R389-T391 VanDerWaalsContact C-N 3.3Å; R389-W398 HydrophobicContact CB-CE3 3.88Å; R389-W398 HydrophobicContact CB-CZ3 4.36Å; R389-W398 HydrophobicContact CG-CB 4.26Å; R389-W398 HydrophobicContact CG-CD2 4.09Å; R389-W398 HydrophobicContact CG-CE3 3.89Å; R389-W398 HydrophobicContact CG-CG 4.27Å; R389-L564 PolarHBondContact NH1-O 3.38Å |
| 390 | R | 85.6 | Confident | 90.8 | Very high | 200 Ų | 200 | 52.3 Ų | 52.3 | 76% | 0.755 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.7 | 175.7 | -58.4 | 176.1 | -172.7 | 172.5 | 1.7 | 112.3 | D388 H528 | D388-R390 PolarHBondContact O-N 3.32Å; D388-R390 WeakPolarHBondContact OD1-CB 3.4Å; D388-R390 PolarHBondContact OD1-N 2.95Å; D388-R390 VanDerWaalsContact OD1-N 3.08Å; R390-H528 PolarHBondContact O-CE1 3.36Å |
| 391 | T | 90.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -99.8 | 152 | 178.2 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | G384 Q385 D388 R389 L393 G394 E395 | G384-T391 VanDerWaalsContact CA-CB 3.5Å; G384-T391 WeakPolarHBondContact CA-OG1 3.48Å; Q385-T391 PolarHBondContact N-OG1 3.42Å; Q385-T391 PolarHBondContact O-OG1 3.07Å; D388-T391 HydrophobicContact CB-CG2 4.1Å; D388-T391 PolarHBondContact O-N 2.98Å; D388-T391 PolarHBondContact O-OG1 3.03Å; R389-T391 VanDerWaalsContact C-N 3.3Å; T391-L393 VanDerWaalsContact C-N 3.28Å; T391-L393 PolarHBondContact O-N 2.8Å; T391-G394 PolarHBondContact O-N 2.84Å; T391-G394 VanDerWaalsContact O-N 3.11Å; T391-G394 PolarHBondContact OG1-N 3.44Å; T391-E395 WeakPolarHBondContact O-CB 3.39Å; T391-E395 PolarHBondContact O-N 3.45Å |
| 392 | P | 91.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.5 | -43.1 | 179.8 | -27.1 | 35.2 | 0 | 0 | 0 | 112.8 | I382 P383 G394 E395 L396 Y526 | I382-P392 HydrophobicContact CG2-CB 4.33Å; P383-P392 HydrophobicContact CG-CG 4Å; P383-P392 WeakPolarHBondContact O-CD 3.45Å; P392-G394 PolarHBondContact O-N 2.81Å; P392-E395 PolarHBondContact O-N 2.86Å; P392-L396 WeakPolarHBondContact O-CB 3.44Å; P392-L396 WeakPolarHBondContact O-CG 3.15Å; P392-L396 PolarHBondContact O-N 3.24Å; P392-Y526 HydrophobicContact CB-CD2 4.34Å; P392-Y526 HydrophobicContact CB-CE1 4.18Å; P392-Y526 HydrophobicContact CB-CE2 3.79Å; P392-Y526 HydrophobicContact CG-CD1 3.83Å; P392-Y526 HydrophobicContact CG-CD2 3.61Å; P392-Y526 HydrophobicContact CG-CE1 3.79Å; P392-Y526 HydrophobicContact CG-CE2 3.56Å; P392-Y526 HydrophobicContact CG-CG 3.73Å |
| 393 | L | 93.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 178.5 | -177.3 | 58 | 0 | 0 | 0 | 112.8 | I357 I382 P383 L386 T391 N397 | I357-L393 HydrophobicContact CG2-CD1 4.1Å; I382-L393 HydrophobicContact CB-CB 4.48Å; I382-L393 HydrophobicContact CB-CD1 4.35Å; I382-L393 HydrophobicContact CG2-CB 3.83Å; I382-L393 HydrophobicContact CG2-CD1 4.25Å; P383-L393 WeakPolarHBondContact O-CB 3.36Å; P383-L393 PolarHBondContact O-N 2.84Å; L386-L393 HydrophobicContact CD2-CD1 3.85Å; L386-L393 HydrophobicContact CD2-CD2 4.37Å; L386-L393 HydrophobicContact CD2-CG 3.88Å; L386-L393 HydrophobicContact CG-CD2 4.3Å; L386-L393 HydrophobicContact CG-CG 4.26Å; T391-L393 VanDerWaalsContact C-N 3.28Å; T391-L393 PolarHBondContact O-N 2.8Å; L393-N397 WeakPolarHBondContact O-CB 3.43Å; L393-N397 PolarHBondContact O-N 3.38Å; L393-N397 VanDerWaalsContact O-N 3.14Å |
| 394 | G | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.9 | -31.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q385 D388 T391 P392 N397 W398 | Q385-G394 VanDerWaalsContact O-CA 3.31Å; Q385-G394 WeakPolarHBondContact O-CA 3.43Å; Q385-G394 PolarHBondContact O-N 3.41Å; D388-G394 WeakPolarHBondContact O-CA 3.38Å; T391-G394 PolarHBondContact O-N 2.84Å; T391-G394 VanDerWaalsContact O-N 3.11Å; T391-G394 PolarHBondContact OG1-N 3.44Å; P392-G394 PolarHBondContact O-N 2.81Å; G394-N397 PolarHBondContact O-N 2.77Å; G394-W398 WeakPolarHBondContact O-CB 3.4Å; G394-W398 PolarHBondContact O-N 3.04Å |
| 395 | E | 93.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 172.2 | -175.5 | 178.4 | -131.3 | 0 | 0 | 111.1 | T391 P392 N397 W398 I399 Y526 H528 S529 | T391-E395 WeakPolarHBondContact O-CB 3.39Å; T391-E395 PolarHBondContact O-N 3.45Å; P392-E395 PolarHBondContact O-N 2.86Å; E395-N397 VanDerWaalsContact C-N 3.31Å; E395-N397 PolarHBondContact O-N 2.79Å; E395-W398 PolarHBondContact O-N 3.28Å; E395-W398 VanDerWaalsContact O-N 3.09Å; E395-I399 HydrophobicContact CG-CD1 3.93Å; E395-I399 HydrophobicContact CG-CG1 4.5Å; E395-I399 WeakPolarHBondContact O-CG1 2.98Å; E395-I399 PolarHBondContact O-N 3.04Å; E395-Y526 WeakPolarHBondContact OE2-CE1 3.41Å; E395-Y526 VanDerWaalsContact OE2-CZ 3.28Å; E395-Y526 PolarHBondContact OE2-OH 3.28Å; E395-H528 WeakPolarHBondContact OE1-CA 3.37Å; E395-H528 WeakPolarHBondContact OE1-CB 3.35Å; E395-H528 IonicContact OE1-CG 3.87Å; E395-H528 IonicContact OE1-ND1 3.81Å; E395-H528 PolarHBondContact OE1-ND1 3.46Å; E395-H528 IonicContact OE2-ND1 2.73Å; E395-S529 PolarHBondContact OE1-N 3.3Å |
| 396 | L | 95.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 174.8 | -74.9 | -179.1 | 0 | 0 | 0 | 111.9 | I357 P392 W398 I399 F400 W466 T469 L470 C473 | I357-L396 HydrophobicContact CG2-CB 4.42Å; P392-L396 WeakPolarHBondContact O-CB 3.44Å; P392-L396 WeakPolarHBondContact O-CG 3.15Å; P392-L396 PolarHBondContact O-N 3.24Å; L396-W398 VanDerWaalsContact C-N 3.29Å; L396-W398 PolarHBondContact O-N 3.12Å; L396-I399 PolarHBondContact O-N 3.44Å; L396-F400 VanDerWaalsContact O-CB 3.23Å; L396-F400 WeakPolarHBondContact O-CB 3.36Å; L396-F400 PolarHBondContact O-N 2.97Å; L396-W466 HydrophobicContact CB-CH2 4.3Å; L396-W466 HydrophobicContact CD2-CH2 4.23Å; L396-W466 HydrophobicContact CD2-CZ3 4.21Å; L396-W466 WeakPolarHBondContact O-CZ3 3.37Å; L396-T469 HydrophobicContact CD2-CG2 3.94Å; L396-L470 HydrophobicContact CD1-CD2 4.17Å; L396-L470 HydrophobicContact CD2-CD2 3.93Å; L396-C473 HydrophobicContact CD2-CB 4.14Å |
| 397 | N | 95.2 | Very high | 93.6 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 176.9 | -173.8 | 49.3 | 0 | 0 | 0 | 112.6 | I357 L386 L393 G394 E395 T401 | I357-N397 HydrophobicContact CD1-CB 4.43Å; I357-N397 HydrophobicContact CG1-CB 4.19Å; L386-N397 HydrophobicContact CD2-CB 3.87Å; L386-N397 PolarHBondContact O-ND2 3.32Å; L393-N397 WeakPolarHBondContact O-CB 3.43Å; L393-N397 PolarHBondContact O-N 3.38Å; L393-N397 VanDerWaalsContact O-N 3.14Å; G394-N397 PolarHBondContact O-N 2.77Å; E395-N397 VanDerWaalsContact C-N 3.31Å; E395-N397 PolarHBondContact O-N 2.79Å; N397-T401 PolarHBondContact O-N 3Å; N397-T401 VanDerWaalsContact O-N 3.08Å; N397-T401 PolarHBondContact O-OG1 2.8Å |
| 398 | W | 94.7 | Very high | 94 | Very high | 22 Ų | 22 | 23.5 Ų | 23.5 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.5 | -44 | 178.7 | -176.4 | 24.2 | 0 | 0 | 0 | 112.3 | R389 G394 E395 L396 T401 A402 F532 Q561 S565 | R389-W398 HydrophobicContact CB-CE3 3.88Å; R389-W398 HydrophobicContact CB-CZ3 4.36Å; R389-W398 HydrophobicContact CG-CB 4.26Å; R389-W398 HydrophobicContact CG-CD2 4.09Å; R389-W398 HydrophobicContact CG-CE3 3.89Å; R389-W398 HydrophobicContact CG-CG 4.27Å; G394-W398 WeakPolarHBondContact O-CB 3.4Å; G394-W398 PolarHBondContact O-N 3.04Å; E395-W398 PolarHBondContact O-N 3.28Å; E395-W398 VanDerWaalsContact O-N 3.09Å; L396-W398 VanDerWaalsContact C-N 3.29Å; L396-W398 PolarHBondContact O-N 3.12Å; W398-T401 WeakPolarHBondContact O-CB 3.4Å; W398-T401 PolarHBondContact O-N 3.01Å; W398-A402 PolarHBondContact O-N 3.32Å; W398-F532 AromaticContact CD2-CE2 3.68Å; W398-F532 HydrophobicContact CD2-CE2 3.68Å; W398-F532 AromaticContact CD2-CZ 3.59Å; W398-F532 HydrophobicContact CD2-CZ 3.59Å; W398-F532 AromaticContact CE2-CE2 3.86Å; W398-F532 AromaticContact CE2-CZ 3.5Å; W398-F532 VanDerWaalsContact CE2-CZ 3.5Å; W398-F532 HydrophobicContact CE3-CD2 4.47Å; W398-F532 AromaticContact CE3-CE2 3.52Å; W398-F532 HydrophobicContact CE3-CE2 3.52Å; W398-F532 AromaticContact CE3-CZ 3.96Å; W398-F532 HydrophobicContact CE3-CZ 3.96Å; W398-F532 HydrophobicContact CG-CE2 4.4Å; W398-F532 HydrophobicContact CG-CZ 4Å; W398-F532 HydrophobicContact CH2-CD2 4.02Å; W398-F532 AromaticContact CH2-CE2 3.66Å; W398-F532 HydrophobicContact CH2-CE2 3.66Å; W398-F532 HydrophobicContact CH2-CZ 4.06Å; W398-F532 HydrophobicContact CZ2-CD2 4.47Å; W398-F532 HydrophobicContact CZ2-CE1 4.29Å; W398-F532 AromaticContact CZ2-CE2 3.88Å; W398-F532 HydrophobicContact CZ2-CE2 3.88Å; W398-F532 AromaticContact CZ2-CZ 3.77Å; W398-F532 HydrophobicContact CZ2-CZ 3.77Å; W398-F532 HydrophobicContact CZ3-CD2 4.06Å; W398-F532 AromaticContact CZ3-CE2 3.52Å; W398-F532 HydrophobicContact CZ3-CE2 3.52Å; W398-F532 HydrophobicContact CZ3-CZ 4.19Å; W398-F532 AromaticContact NE1-CZ 3.85Å; W398-Q561 WeakPolarHBondContact CZ2-O 3.34Å; W398-Q561 PolarHBondContact NE1-O 3.49Å; W398-S565 VanDerWaalsContact CH2-CB 3.49Å |
| 399 | I | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 175.2 | -65.9 | 172 | 0 | 0 | 0 | 110.4 | E395 L396 T401 A402 V403 W466 T469 F531 F532 | E395-I399 HydrophobicContact CG-CD1 3.93Å; E395-I399 HydrophobicContact CG-CG1 4.5Å; E395-I399 WeakPolarHBondContact O-CG1 2.98Å; E395-I399 PolarHBondContact O-N 3.04Å; L396-I399 PolarHBondContact O-N 3.44Å; I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 3.5Å; I399-A402 WeakPolarHBondContact O-CB 3.23Å; I399-A402 PolarHBondContact O-N 3.37Å; I399-V403 HydrophobicContact CG2-CG2 4.14Å; I399-V403 WeakPolarHBondContact O-CG2 2.96Å; I399-V403 PolarHBondContact O-N 2.62Å; I399-W466 HydrophobicContact CG2-CE3 4.17Å; I399-W466 HydrophobicContact CG2-CZ3 4.38Å; I399-T469 HydrophobicContact CD1-CG2 3.61Å; I399-T469 HydrophobicContact CG2-CG2 4.19Å; I399-F531 HydrophobicContact CB-CD1 4.38Å; I399-F531 HydrophobicContact CD1-CB 3.9Å; I399-F531 HydrophobicContact CD1-CD1 4.34Å; I399-F531 HydrophobicContact CD1-CG 4.23Å; I399-F531 HydrophobicContact CG1-CB 4.41Å; I399-F531 HydrophobicContact CG1-CD1 3.9Å; I399-F531 HydrophobicContact CG1-CG 4.25Å; I399-F531 HydrophobicContact CG2-CD1 3.81Å; I399-F531 HydrophobicContact CG2-CD2 3.95Å; I399-F531 HydrophobicContact CG2-CE1 3.91Å; I399-F531 HydrophobicContact CG2-CE2 4.03Å; I399-F531 HydrophobicContact CG2-CG 3.84Å; I399-F531 HydrophobicContact CG2-CZ 4.02Å; I399-F532 HydrophobicContact CG1-CE2 3.76Å; I399-F532 HydrophobicContact CG1-CZ 3.98Å |
| 400 | F | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 175.2 | 178.3 | -100 | 0 | 0 | 0 | 112.2 | P356 I357 L396 A402 V403 T404 N433 L436 W463 W466 | P356-F400 HydrophobicContact CB-CD1 4.43Å; P356-F400 HydrophobicContact CB-CE1 3.65Å; P356-F400 HydrophobicContact CB-CZ 3.7Å; P356-F400 HydrophobicContact CG-CE1 3.97Å; I357-F400 HydrophobicContact CD1-CB 3.49Å; I357-F400 VanDerWaalsContact CD1-CB 3.49Å; I357-F400 HydrophobicContact CD1-CD1 3.9Å; I357-F400 HydrophobicContact CD1-CD2 4.22Å; I357-F400 HydrophobicContact CD1-CG 3.59Å; L396-F400 VanDerWaalsContact O-CB 3.23Å; L396-F400 WeakPolarHBondContact O-CB 3.36Å; L396-F400 PolarHBondContact O-N 2.97Å; F400-A402 VanDerWaalsContact C-N 3.33Å; F400-A402 PolarHBondContact O-N 3.48Å; F400-V403 PolarHBondContact O-N 3.3Å; F400-T404 HydrophobicContact CD1-CG2 4.48Å; F400-T404 HydrophobicContact CD2-CG2 4.27Å; F400-T404 HydrophobicContact CE1-CG2 4.01Å; F400-T404 HydrophobicContact CE2-CG2 3.78Å; F400-T404 HydrophobicContact CZ-CG2 3.64Å; F400-T404 WeakPolarHBondContact O-CB 3.43Å; F400-T404 WeakPolarHBondContact O-CG2 3.41Å; F400-T404 PolarHBondContact O-N 3.48Å; F400-T404 PolarHBondContact O-OG1 3.21Å; F400-N433 WeakPolarHBondContact CE1-OD1 3.14Å; F400-L436 HydrophobicContact CE2-CB 4.06Å; F400-L436 HydrophobicContact CE2-CD1 4.2Å; F400-L436 HydrophobicContact CE2-CD2 3.96Å; F400-L436 HydrophobicContact CE2-CG 4.29Å; F400-L436 HydrophobicContact CZ-CB 3.87Å; F400-L436 HydrophobicContact CZ-CD2 3.91Å; F400-L436 HydrophobicContact CZ-CG 4.39Å; F400-W463 HydrophobicContact CE2-CH2 4.22Å; F400-W463 HydrophobicContact CE2-CZ3 4.21Å; F400-W466 HydrophobicContact CB-CE3 4.25Å; F400-W466 HydrophobicContact CB-CH2 3.83Å; F400-W466 HydrophobicContact CB-CZ3 3.69Å; F400-W466 HydrophobicContact CD2-CD2 4.39Å; F400-W466 HydrophobicContact CD2-CH2 4.22Å; F400-W466 HydrophobicContact CD2-CZ2 4.05Å; F400-W466 HydrophobicContact CD2-CZ3 4.45Å; F400-W466 HydrophobicContact CG-CH2 4.44Å |
| 401 | T | 95.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 12 Ų | 12 | 19% | 0.19 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | N397 W398 I399 T404 D405 | N397-T401 PolarHBondContact O-N 3Å; N397-T401 VanDerWaalsContact O-N 3.08Å; N397-T401 PolarHBondContact O-OG1 2.8Å; W398-T401 WeakPolarHBondContact O-CB 3.4Å; W398-T401 PolarHBondContact O-N 3.01Å; I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 3.5Å; T401-T404 PolarHBondContact O-OG1 2.98Å; T401-D405 WeakPolarHBondContact O-CB 3.31Å; T401-D405 PolarHBondContact O-N 2.89Å |
| 402 | A | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | W398 I399 F400 T406 F531 F532 Q561 | W398-A402 PolarHBondContact O-N 3.32Å; I399-A402 WeakPolarHBondContact O-CB 3.23Å; I399-A402 PolarHBondContact O-N 3.37Å; F400-A402 VanDerWaalsContact C-N 3.33Å; F400-A402 PolarHBondContact O-N 3.48Å; A402-T406 VanDerWaalsContact O-CB 3.31Å; A402-T406 WeakPolarHBondContact O-CB 3.4Å; A402-T406 PolarHBondContact O-N 3.5Å; A402-T406 PolarHBondContact O-OG1 3.34Å; A402-F531 HydrophobicContact CB-CE1 4.21Å; A402-F532 HydrophobicContact CB-CE1 4.05Å; A402-F532 HydrophobicContact CB-CZ 4.48Å; A402-Q561 HydrophobicContact CB-CB 4.08Å; A402-Q561 HydrophobicContact CB-CG 3.84Å |
| 403 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -50.1 | 178 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | I399 F400 T406 I407 M462 W463 W466 F531 | I399-V403 HydrophobicContact CG2-CG2 4.14Å; I399-V403 WeakPolarHBondContact O-CG2 2.96Å; I399-V403 PolarHBondContact O-N 2.62Å; F400-V403 PolarHBondContact O-N 3.3Å; V403-T406 WeakPolarHBondContact O-CB 3.02Å; V403-T406 PolarHBondContact O-N 3Å; V403-T406 VanDerWaalsContact O-N 3.16Å; V403-I407 HydrophobicContact CG1-CD1 3.72Å; V403-I407 HydrophobicContact CG1-CG1 4.49Å; V403-I407 VanDerWaalsContact O-CG1 3.32Å; V403-I407 WeakPolarHBondContact O-CG1 3.29Å; V403-I407 PolarHBondContact O-N 3.14Å; V403-M462 HydrophobicContact CG1-CB 4.13Å; V403-M462 HydrophobicContact CG2-CE 4.15Å; V403-W463 HydrophobicContact CG1-CE3 4.24Å; V403-W463 HydrophobicContact CG1-CZ3 4.35Å; V403-W466 HydrophobicContact CG1-CB 4.17Å; V403-W466 HydrophobicContact CG2-CB 4.29Å; V403-F531 HydrophobicContact CG2-CE2 3.9Å; V403-F531 HydrophobicContact CG2-CZ 3.74Å |
| 404 | T | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | -177.7 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | F400 T401 T406 I407 A408 R432 L435 W463 | F400-T404 HydrophobicContact CD1-CG2 4.48Å; F400-T404 HydrophobicContact CD2-CG2 4.27Å; F400-T404 HydrophobicContact CE1-CG2 4.01Å; F400-T404 HydrophobicContact CE2-CG2 3.78Å; F400-T404 HydrophobicContact CZ-CG2 3.64Å; F400-T404 WeakPolarHBondContact O-CB 3.43Å; F400-T404 WeakPolarHBondContact O-CG2 3.41Å; F400-T404 PolarHBondContact O-N 3.48Å; F400-T404 PolarHBondContact O-OG1 3.21Å; T401-T404 PolarHBondContact O-OG1 2.98Å; T404-T406 VanDerWaalsContact C-N 3.27Å; T404-T406 PolarHBondContact O-N 3.4Å; T404-I407 PolarHBondContact O-N 3.24Å; T404-A408 WeakPolarHBondContact O-CB 3.45Å; T404-A408 PolarHBondContact O-N 3.45Å; T404-R432 WeakPolarHBondContact OG1-CG 3.07Å; T404-L435 WeakPolarHBondContact O-CD1 3.36Å; T404-W463 HydrophobicContact CG2-CH2 3.89Å |
| 405 | D | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 171.5 | -99.7 | 23.7 | 0 | 0 | 0 | 111.8 | T401 A408 W409 R422 R432 P557 | T401-D405 WeakPolarHBondContact O-CB 3.31Å; T401-D405 PolarHBondContact O-N 2.89Å; D405-A408 PolarHBondContact O-N 2.77Å; D405-W409 WeakPolarHBondContact O-CB 3.18Å; D405-W409 PolarHBondContact O-N 3.26Å; D405-R422 IonicContact OD1-NH1 2.71Å; D405-R422 IonicContact OD2-CZ 2.61Å; D405-R422 IonicContact OD2-NH1 2.84Å; D405-R422 PolarHBondContact OD2-NH1 3.15Å; D405-R422 IonicContact OD2-NH2 2.78Å; D405-R422 PolarHBondContact OD2-NH2 2.75Å; D405-R432 IonicContact OD1-CZ 3.22Å; D405-R432 IonicContact OD1-NE 3.6Å; D405-R432 PolarHBondContact OD1-NE 2.99Å; D405-R432 IonicContact OD1-NH2 2.7Å; D405-R432 PolarHBondContact OD1-NH2 2.87Å; D405-R432 IonicContact OD2-NH2 2.85Å; D405-R432 PolarHBondContact OD2-NH2 3.23Å; D405-P557 HydrophobicContact CB-CB 4.27Å |
| 406 | T | 96 | Very high | 94 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | A402 V403 T404 A408 W409 N410 M462 Q554 I558 | A402-T406 VanDerWaalsContact O-CB 3.31Å; A402-T406 WeakPolarHBondContact O-CB 3.4Å; A402-T406 PolarHBondContact O-N 3.5Å; A402-T406 PolarHBondContact O-OG1 3.34Å; V403-T406 WeakPolarHBondContact O-CB 3.02Å; V403-T406 PolarHBondContact O-N 3Å; V403-T406 VanDerWaalsContact O-N 3.16Å; T404-T406 VanDerWaalsContact C-N 3.27Å; T404-T406 PolarHBondContact O-N 3.4Å; T406-A408 VanDerWaalsContact C-N 3.3Å; T406-A408 PolarHBondContact O-N 3.32Å; T406-W409 PolarHBondContact O-N 2.95Å; T406-N410 WeakPolarHBondContact CG2-ND2 3.32Å; T406-N410 PolarHBondContact O-N 2.98Å; T406-N410 VanDerWaalsContact O-N 3.1Å; T406-N410 PolarHBondContact O-ND2 3.37Å; T406-M462 HydrophobicContact CG2-CE 4.11Å; T406-M462 HydrophobicContact CG2-CG 3.83Å; T406-M462 HydrophobicContact CG2-SD 4.15Å; T406-Q554 HydrophobicContact CG2-CG 3.95Å; T406-Q554 WeakPolarHBondContact CG2-O 3.34Å; T406-I558 HydrophobicContact CG2-CD1 4.38Å; T406-I558 HydrophobicContact CG2-CG1 4.43Å; T406-I558 WeakPolarHBondContact OG1-CG1 3.29Å |
| 407 | I | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 176.6 | -66.3 | 162.3 | 0 | 0 | 0 | 110 | V403 T404 W409 N410 S411 L435 T457 H460 M462 W463 | V403-I407 HydrophobicContact CG1-CD1 3.72Å; V403-I407 HydrophobicContact CG1-CG1 4.49Å; V403-I407 VanDerWaalsContact O-CG1 3.32Å; V403-I407 WeakPolarHBondContact O-CG1 3.29Å; V403-I407 PolarHBondContact O-N 3.14Å; T404-I407 PolarHBondContact O-N 3.24Å; I407-W409 PolarHBondContact O-N 3.22Å; I407-N410 PolarHBondContact O-N 3.39Å; I407-S411 VanDerWaalsContact O-CB 3.26Å; I407-S411 WeakPolarHBondContact O-CB 3.45Å; I407-S411 PolarHBondContact O-N 2.78Å; I407-S411 PolarHBondContact O-OG 3.43Å; I407-L435 HydrophobicContact CB-CD1 4.11Å; I407-L435 HydrophobicContact CG2-CD1 4Å; I407-T457 HydrophobicContact CG2-CG2 3.87Å; I407-H460 HydrophobicContact CG1-CB 4.24Å; I407-H460 HydrophobicContact CG2-CB 4.09Å; I407-M462 HydrophobicContact CD1-CB 4.15Å; I407-M462 HydrophobicContact CG1-CB 3.76Å; I407-M462 HydrophobicContact CG1-CG 4.43Å; I407-W463 HydrophobicContact CD1-CD2 3.75Å; I407-W463 HydrophobicContact CD1-CE3 4.35Å; I407-W463 HydrophobicContact CD1-CG 4.11Å; I407-W463 HydrophobicContact CD1-CH2 4.33Å; I407-W463 HydrophobicContact CD1-CZ2 3.73Å |
| 408 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T404 D405 T406 N410 S411 L412 F417 F421 L435 | T404-A408 WeakPolarHBondContact O-CB 3.45Å; T404-A408 PolarHBondContact O-N 3.45Å; D405-A408 PolarHBondContact O-N 2.77Å; T406-A408 VanDerWaalsContact C-N 3.3Å; T406-A408 PolarHBondContact O-N 3.32Å; A408-N410 VanDerWaalsContact C-N 3.35Å; A408-N410 PolarHBondContact O-N 3.21Å; A408-S411 PolarHBondContact O-N 2.72Å; A408-L412 HydrophobicContact CB-CD1 4.15Å; A408-L412 VanDerWaalsContact O-CB 3.22Å; A408-L412 WeakPolarHBondContact O-CB 2.96Å; A408-L412 WeakPolarHBondContact O-CG 3.37Å; A408-L412 PolarHBondContact O-N 2.75Å; A408-F417 HydrophobicContact CB-CD2 3.97Å; A408-F417 HydrophobicContact CB-CE2 3.9Å; A408-F421 HydrophobicContact CB-CD1 3.87Å; A408-F421 HydrophobicContact CB-CD2 3.96Å; A408-F421 HydrophobicContact CB-CE1 3.46Å; A408-F421 VanDerWaalsContact CB-CE1 3.46Å; A408-F421 HydrophobicContact CB-CE2 3.58Å; A408-F421 HydrophobicContact CB-CG 4.12Å; A408-F421 HydrophobicContact CB-CZ 3.31Å; A408-L435 HydrophobicContact CB-CD1 4.21Å |
| 409 | W | 94 | Very high | 93.4 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | -179.2 | 178.8 | -105.8 | 0 | 0 | 0 | 113 | D405 T406 I407 Q414 F417 P557 L589 A592 V593 | D405-W409 WeakPolarHBondContact O-CB 3.18Å; D405-W409 PolarHBondContact O-N 3.26Å; T406-W409 PolarHBondContact O-N 2.95Å; I407-W409 PolarHBondContact O-N 3.22Å; W409-Q414 HydrophobicContact CH2-CG 4.42Å; W409-Q414 HydrophobicContact CZ3-CG 4.49Å; W409-F417 HydrophobicContact CB-CD2 4.26Å; W409-F417 HydrophobicContact CB-CE2 3.85Å; W409-F417 HydrophobicContact CB-CZ 4.25Å; W409-F417 HydrophobicContact CE3-CB 4.45Å; W409-F417 AromaticContact CE3-CD1 3.42Å; W409-F417 HydrophobicContact CE3-CD1 3.42Å; W409-F417 VanDerWaalsContact CE3-CD1 3.42Å; W409-F417 HydrophobicContact CE3-CD2 4.07Å; W409-F417 AromaticContact CE3-CE1 3.47Å; W409-F417 HydrophobicContact CE3-CE1 3.47Å; W409-F417 VanDerWaalsContact CE3-CE1 3.47Å; W409-F417 HydrophobicContact CE3-CE2 4.12Å; W409-F417 AromaticContact CE3-CG 3.72Å; W409-F417 HydrophobicContact CE3-CG 3.72Å; W409-F417 AromaticContact CE3-CZ 3.82Å; W409-F417 HydrophobicContact CE3-CZ 3.82Å; W409-F417 AromaticContact CZ3-CD1 3.62Å; W409-F417 HydrophobicContact CZ3-CD1 3.62Å; W409-F417 AromaticContact CZ3-CE1 3.87Å; W409-F417 HydrophobicContact CZ3-CE1 3.87Å; W409-F417 HydrophobicContact CZ3-CG 4.21Å; W409-P557 HydrophobicContact CB-CG 3.43Å; W409-P557 VanDerWaalsContact CB-CG 3.43Å; W409-P557 HydrophobicContact CD2-CG 4.36Å; W409-P557 HydrophobicContact CG-CG 3.5Å; W409-P557 VanDerWaalsContact CG-CG 3.5Å; W409-L589 HydrophobicContact CZ2-CD2 4.14Å; W409-A592 HydrophobicContact CH2-CB 3.81Å; W409-A592 HydrophobicContact CZ3-CB 4.38Å; W409-V593 HydrophobicContact CD2-CG2 3.69Å; W409-V593 HydrophobicContact CE3-CG2 3.92Å; W409-V593 HydrophobicContact CG-CG2 4.43Å; W409-V593 HydrophobicContact CH2-CG2 3.61Å; W409-V593 HydrophobicContact CZ2-CG2 3.35Å; W409-V593 HydrophobicContact CZ3-CG2 3.88Å |
| 410 | N | 92.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 31% | 0.305 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -80 | -19.9 | -177.5 | -68.7 | -67.4 | 0 | 0 | 0 | 113.3 | T406 I407 A408 Q554 | T406-N410 WeakPolarHBondContact CG2-ND2 3.32Å; T406-N410 PolarHBondContact O-N 2.98Å; T406-N410 VanDerWaalsContact O-N 3.1Å; T406-N410 PolarHBondContact O-ND2 3.37Å; I407-N410 PolarHBondContact O-N 3.39Å; A408-N410 VanDerWaalsContact C-N 3.35Å; A408-N410 PolarHBondContact O-N 3.21Å; N410-Q554 WeakPolarHBondContact ND2-CG 3.38Å; N410-Q554 PolarHBondContact ND2-O 2.87Å; N410-Q554 WeakPolarHBondContact OD1-CA 3.45Å |
| 411 | S | 93.5 | Very high | 93.1 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 23% | 0.231 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -101.3 | -25.2 | -176.4 | -49.1 | 0 | 0 | 0 | 0 | 113.2 | I407 A408 P455 | I407-S411 VanDerWaalsContact O-CB 3.26Å; I407-S411 WeakPolarHBondContact O-CB 3.45Å; I407-S411 PolarHBondContact O-N 2.78Å; I407-S411 PolarHBondContact O-OG 3.43Å; A408-S411 PolarHBondContact O-N 2.72Å; S411-P455 VanDerWaalsContact O-CG 3.25Å; S411-P455 WeakPolarHBondContact O-CG 3.27Å |
| 412 | L | 92.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -104.7 | 146.4 | -171.7 | -55.9 | 179.2 | 0 | 0 | 0 | 112.6 | A408 L416 F417 F421 L454 P455 | A408-L412 HydrophobicContact CB-CD1 4.15Å; A408-L412 VanDerWaalsContact O-CB 3.22Å; A408-L412 WeakPolarHBondContact O-CB 2.96Å; A408-L412 WeakPolarHBondContact O-CG 3.37Å; A408-L412 PolarHBondContact O-N 2.75Å; L412-L416 HydrophobicContact CD2-CD2 4.28Å; L412-F417 HydrophobicContact CB-CB 4.33Å; L412-F421 HydrophobicContact CD1-CD2 4.12Å; L412-F421 HydrophobicContact CD1-CE2 3.68Å; L412-L454 HydrophobicContact CD1-CD2 4.09Å; L412-L454 HydrophobicContact CD2-CB 4.42Å; L412-L454 HydrophobicContact CD2-CD2 3.59Å; L412-P455 VanDerWaalsContact CD2-CD 3.41Å; L412-P455 HydrophobicContact CD2-CG 3.87Å |
| 413 | P | 90.5 | Very high | 92.6 | Very high | 84 Ų | 84 | 28.5 Ų | 28.5 | 55% | 0.545 | 15% | 0.145 | S | C | . | . | trans | -56.8 | 146.8 | 164.6 | -22 | 32.9 | 0 | 0 | 0 | 111.4 | D415 L416 F417 | P413-D415 VanDerWaalsContact C-N 3.35Å; P413-D415 PolarHBondContact O-N 3.37Å; P413-L416 PolarHBondContact O-N 3.44Å; P413-L416 VanDerWaalsContact O-N 3.12Å; P413-F417 PolarHBondContact O-N 2.71Å | ||
| 414 | Q | 86.3 | Confident | 92.3 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 27% | 0.271 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -53.9 | -45.9 | -174.3 | -177.3 | 174.2 | -31.1 | 0 | 0 | 113 | W409 L416 F417 Q418 A592 | W409-Q414 HydrophobicContact CH2-CG 4.42Å; W409-Q414 HydrophobicContact CZ3-CG 4.49Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 3.2Å; Q414-F417 WeakPolarHBondContact O-CB 3.07Å; Q414-F417 PolarHBondContact O-N 2.96Å; Q414-Q418 WeakPolarHBondContact O-CG 3.34Å; Q414-Q418 PolarHBondContact O-N 3.18Å; Q414-A592 HydrophobicContact CG-CB 4.14Å |
| 415 | D | 85.9 | Confident | 92 | Very high | 117 Ų | 117 | 34.8 Ų | 34.8 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -64.4 | -39.9 | -178.8 | -56.5 | -38.9 | 0 | 0 | 0 | 112.3 | P413 Q418 R419 | P413-D415 VanDerWaalsContact C-N 3.35Å; P413-D415 PolarHBondContact O-N 3.37Å; D415-Q418 PolarHBondContact O-N 3.43Å; D415-R419 WeakPolarHBondContact O-CB 3.4Å; D415-R419 PolarHBondContact O-N 3.5Å |
| 416 | L | 91.1 | Very high | 92 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 177.8 | -173.6 | 60.8 | 0 | 0 | 0 | 110.8 | L412 P413 Q414 R419 L420 P452 L454 | L412-L416 HydrophobicContact CD2-CD2 4.28Å; P413-L416 PolarHBondContact O-N 3.44Å; P413-L416 VanDerWaalsContact O-N 3.12Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 3.2Å; L416-R419 PolarHBondContact O-N 3.16Å; L416-L420 HydrophobicContact CD1-CD1 3.73Å; L416-L420 HydrophobicContact CD1-CG 3.96Å; L416-L420 HydrophobicContact CG-CD1 3.97Å; L416-L420 HydrophobicContact CG-CG 4.41Å; L416-L420 WeakPolarHBondContact O-CB 3.36Å; L416-L420 WeakPolarHBondContact O-CG 3.42Å; L416-L420 PolarHBondContact O-N 3.39Å; L416-P452 HydrophobicContact CD1-CB 4.05Å; L416-P452 HydrophobicContact CD1-CG 3.53Å; L416-L454 HydrophobicContact CD2-CD2 4.34Å |
| 417 | F | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 173.6 | 177.5 | -92 | 0 | 0 | 0 | 111.6 | A408 W409 L412 P413 Q414 R419 L420 F421 R422 | A408-F417 HydrophobicContact CB-CD2 3.97Å; A408-F417 HydrophobicContact CB-CE2 3.9Å; W409-F417 HydrophobicContact CB-CD2 4.26Å; W409-F417 HydrophobicContact CB-CE2 3.85Å; W409-F417 HydrophobicContact CB-CZ 4.25Å; W409-F417 HydrophobicContact CE3-CB 4.45Å; W409-F417 AromaticContact CE3-CD1 3.42Å; W409-F417 HydrophobicContact CE3-CD1 3.42Å; W409-F417 VanDerWaalsContact CE3-CD1 3.42Å; W409-F417 HydrophobicContact CE3-CD2 4.07Å; W409-F417 AromaticContact CE3-CE1 3.47Å; W409-F417 HydrophobicContact CE3-CE1 3.47Å; W409-F417 VanDerWaalsContact CE3-CE1 3.47Å; W409-F417 HydrophobicContact CE3-CE2 4.12Å; W409-F417 AromaticContact CE3-CG 3.72Å; W409-F417 HydrophobicContact CE3-CG 3.72Å; W409-F417 AromaticContact CE3-CZ 3.82Å; W409-F417 HydrophobicContact CE3-CZ 3.82Å; W409-F417 AromaticContact CZ3-CD1 3.62Å; W409-F417 HydrophobicContact CZ3-CD1 3.62Å; W409-F417 AromaticContact CZ3-CE1 3.87Å; W409-F417 HydrophobicContact CZ3-CE1 3.87Å; W409-F417 HydrophobicContact CZ3-CG 4.21Å; L412-F417 HydrophobicContact CB-CB 4.33Å; P413-F417 PolarHBondContact O-N 2.71Å; Q414-F417 WeakPolarHBondContact O-CB 3.07Å; Q414-F417 PolarHBondContact O-N 2.96Å; F417-R419 PolarHBondContact O-N 3.22Å; F417-L420 PolarHBondContact O-N 3.47Å; F417-F421 HydrophobicContact CD2-CB 4.08Å; F417-F421 HydrophobicContact CD2-CD2 4.17Å; F417-F421 HydrophobicContact CD2-CG 4.18Å; F417-F421 HydrophobicContact CE2-CB 3.88Å; F417-F421 HydrophobicContact CE2-CG 4.08Å; F417-F421 HydrophobicContact CZ-CB 4.13Å; F417-F421 WeakPolarHBondContact O-CB 3.48Å; F417-F421 PolarHBondContact O-N 3.43Å; F417-R422 HydrophobicContact CD1-CG 4.42Å; F417-R422 HydrophobicContact CE1-CG 3.96Å |
| 418 | Q | 89.3 | Confident | 91.9 | Very high | 19 Ų | 19 | 35 Ų | 35 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.6 | -50.5 | 176.7 | -70.3 | -61.3 | -9.7 | 0 | 0 | 111.7 | Q414 D415 L420 R422 Q423 A592 | Q414-Q418 WeakPolarHBondContact O-CG 3.34Å; Q414-Q418 PolarHBondContact O-N 3.18Å; D415-Q418 PolarHBondContact O-N 3.43Å; Q418-L420 VanDerWaalsContact C-N 3.33Å; Q418-L420 PolarHBondContact O-N 2.6Å; Q418-R422 WeakPolarHBondContact O-CB 3.46Å; Q418-R422 PolarHBondContact O-N 3.13Å; Q418-R422 VanDerWaalsContact O-N 3.13Å; Q418-Q423 PolarHBondContact O-N 3.11Å; Q418-A592 VanDerWaalsContact NE2-C 3.33Å; Q418-A592 PolarHBondContact NE2-O 3.4Å |
| 419 | R | 90 | Very high | 91.9 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.2 | -41.7 | -177.5 | -176.9 | 177.6 | 175 | 179.7 | -2.8 | 112.4 | S325 D415 L416 F417 Q423 | S325-R419 PolarHBondContact O-NH2 2.81Å; D415-R419 WeakPolarHBondContact O-CB 3.4Å; D415-R419 PolarHBondContact O-N 3.5Å; L416-R419 PolarHBondContact O-N 3.16Å; F417-R419 PolarHBondContact O-N 3.22Å; R419-Q423 WeakPolarHBondContact O-CB 3.04Å |
| 420 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -93.2 | -36.4 | -172.4 | -58.8 | -175 | 0 | 0 | 0 | 113.7 | I327 L416 F417 Q418 V427 A428 F431 P452 L454 | I327-L420 HydrophobicContact CD1-CD2 3.96Å; L416-L420 HydrophobicContact CD1-CD1 3.73Å; L416-L420 HydrophobicContact CD1-CG 3.96Å; L416-L420 HydrophobicContact CG-CD1 3.97Å; L416-L420 HydrophobicContact CG-CG 4.41Å; L416-L420 WeakPolarHBondContact O-CB 3.36Å; L416-L420 WeakPolarHBondContact O-CG 3.42Å; L416-L420 PolarHBondContact O-N 3.39Å; F417-L420 PolarHBondContact O-N 3.47Å; Q418-L420 VanDerWaalsContact C-N 3.33Å; Q418-L420 PolarHBondContact O-N 2.6Å; L420-V427 CarbonylContact O-C 3.56Å; L420-A428 WeakPolarHBondContact O-CA 3.48Å; L420-A428 PolarHBondContact O-N 3.38Å; L420-F431 HydrophobicContact CB-CD2 4.04Å; L420-F431 HydrophobicContact CB-CE2 4.32Å; L420-F431 HydrophobicContact CB-CG 4.22Å; L420-F431 HydrophobicContact CD1-CD1 4.07Å; L420-F431 HydrophobicContact CD1-CD2 4.46Å; L420-F431 HydrophobicContact CD1-CE1 3.78Å; L420-F431 HydrophobicContact CD1-CE2 4.21Å; L420-F431 HydrophobicContact CD1-CG 4.39Å; L420-F431 HydrophobicContact CD1-CZ 3.84Å; L420-F431 HydrophobicContact CD2-CD2 4.17Å; L420-F431 HydrophobicContact CD2-CE2 3.59Å; L420-F431 HydrophobicContact CD2-CZ 3.8Å; L420-F431 HydrophobicContact CG-CD2 4.44Å; L420-F431 HydrophobicContact CG-CE2 4.24Å; L420-F431 HydrophobicContact CG-CZ 4.33Å; L420-P452 HydrophobicContact CD1-CG 4.18Å; L420-P452 HydrophobicContact CD2-CG 4.27Å; L420-L454 HydrophobicContact CD1-CD2 3.84Å |
| 421 | F | 93.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -107.8 | -7.3 | -170.9 | -74.2 | -100.8 | 0 | 0 | 0 | 114.6 | A408 L412 F417 A428 F431 R432 L435 | A408-F421 HydrophobicContact CB-CD1 3.87Å; A408-F421 HydrophobicContact CB-CD2 3.96Å; A408-F421 HydrophobicContact CB-CE1 3.46Å; A408-F421 VanDerWaalsContact CB-CE1 3.46Å; A408-F421 HydrophobicContact CB-CE2 3.58Å; A408-F421 HydrophobicContact CB-CG 4.12Å; A408-F421 HydrophobicContact CB-CZ 3.31Å; L412-F421 HydrophobicContact CD1-CD2 4.12Å; L412-F421 HydrophobicContact CD1-CE2 3.68Å; F417-F421 HydrophobicContact CD2-CB 4.08Å; F417-F421 HydrophobicContact CD2-CD2 4.17Å; F417-F421 HydrophobicContact CD2-CG 4.18Å; F417-F421 HydrophobicContact CE2-CB 3.88Å; F417-F421 HydrophobicContact CE2-CG 4.08Å; F417-F421 HydrophobicContact CZ-CB 4.13Å; F417-F421 WeakPolarHBondContact O-CB 3.48Å; F417-F421 PolarHBondContact O-N 3.43Å; F421-A428 WeakPolarHBondContact O-CB 3.33Å; F421-F431 HydrophobicContact CD2-CB 4.49Å; F421-F431 HydrophobicContact CE1-CB 4.24Å; F421-F431 HydrophobicContact CE2-CB 3.81Å; F421-F431 HydrophobicContact CZ-CB 3.67Å; F421-R432 HydrophobicContact CD1-CG 3.91Å; F421-R432 HydrophobicContact CE1-CB 4.38Å; F421-R432 HydrophobicContact CE1-CG 3.62Å; F421-R432 PolarHBondContact O-NH2 3.45Å; F421-L435 HydrophobicContact CZ-CD1 4.24Å; F421-L435 HydrophobicContact CZ-CG 4.5Å |
| 422 | R | 90.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 32.1 Ų | 32.1 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -33.2 | -177 | -61.1 | -65.9 | 179.1 | -103.2 | 10.1 | 114.9 | M51 D405 F417 Q418 V593 | M51-R422 HydrophobicContact CE-CB 3.7Å; M51-R422 HydrophobicContact SD-CB 3.81Å; D405-R422 IonicContact OD1-NH1 2.71Å; D405-R422 IonicContact OD2-CZ 2.61Å; D405-R422 IonicContact OD2-NH1 2.84Å; D405-R422 PolarHBondContact OD2-NH1 3.15Å; D405-R422 IonicContact OD2-NH2 2.78Å; D405-R422 PolarHBondContact OD2-NH2 2.75Å; F417-R422 HydrophobicContact CD1-CG 4.42Å; F417-R422 HydrophobicContact CE1-CG 3.96Å; Q418-R422 WeakPolarHBondContact O-CB 3.46Å; Q418-R422 PolarHBondContact O-N 3.13Å; Q418-R422 VanDerWaalsContact O-N 3.13Å; R422-V593 PolarHBondContact NE-O 2.6Å; R422-V593 PolarHBondContact NH2-O 3.17Å; R422-V593 VanDerWaalsContact NH2-O 3.11Å |
| 423 | Q | 89.2 | Confident | 92.7 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -64.5 | -45.2 | -173.5 | -166.4 | 177.7 | 34 | 0 | 0 | 114.5 | E53 M55 Q418 R419 | E53-Q423 PolarHBondContact O-NE2 3.22Å; M55-Q423 HydrophobicContact CB-CG 4.09Å; M55-Q423 VanDerWaalsContact CE-OE1 3.31Å; Q418-Q423 PolarHBondContact O-N 3.11Å; R419-Q423 WeakPolarHBondContact O-CB 3.04Å |
| 424 | D | 91.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | trans | -134.4 | 130.5 | -178.2 | -178.6 | -13.3 | 0 | 0 | 0 | 110.3 | T57 L426 V427 A428 | T57-D424 WeakPolarHBondContact CB-OD2 3.47Å; T57-D424 PolarHBondContact N-OD2 2.85Å; T57-D424 PolarHBondContact OG1-OD2 2.7Å; D424-L426 VanDerWaalsContact C-N 3.34Å; D424-L426 PolarHBondContact O-N 2.93Å; D424-L426 PolarHBondContact OD1-N 3.41Å; D424-V427 HydrophobicContact CB-CB 4.02Å; D424-V427 HydrophobicContact CB-CG2 3.85Å; D424-V427 PolarHBondContact O-N 3.09Å; D424-A428 VanDerWaalsContact O-CB 3.26Å; D424-A428 WeakPolarHBondContact O-CB 3.49Å; D424-A428 PolarHBondContact O-N 3.29Å | ||
| 425 | L | 91.3 | Very high | 93.6 | Very high | 126 Ų | 126 | 25.1 Ų | 25.1 | 66% | 0.66 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -60 | -39.6 | -178.5 | -65 | 175.9 | 0 | 0 | 0 | 113.1 | S429 | L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 2.7Å; L425-S429 PolarHBondContact O-OG 3.25Å |
| 426 | L | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72 | -45 | -179.1 | -179.6 | 60.3 | 0 | 0 | 0 | 110.6 | T57 Y110 W113 Q114 L147 D424 A428 S429 L430 | T57-L426 HydrophobicContact CG2-CD2 3.7Å; Y110-L426 HydrophobicContact CD1-CD1 4.32Å; W113-L426 HydrophobicContact CB-CD1 3.61Å; Q114-L426 HydrophobicContact CB-CB 4.33Å; Q114-L426 HydrophobicContact CB-CD1 4.27Å; Q114-L426 HydrophobicContact CB-CD2 4.21Å; L147-L426 HydrophobicContact CD1-CD2 4.02Å; D424-L426 VanDerWaalsContact C-N 3.34Å; D424-L426 PolarHBondContact O-N 2.93Å; D424-L426 PolarHBondContact OD1-N 3.41Å; L426-A428 VanDerWaalsContact C-N 3.33Å; L426-A428 PolarHBondContact O-N 2.87Å; L426-S429 PolarHBondContact O-N 3.24Å; L426-L430 HydrophobicContact CD1-CD1 4.46Å; L426-L430 HydrophobicContact CD1-CG 4.43Å; L426-L430 HydrophobicContact CG-CD1 4.19Å; L426-L430 WeakPolarHBondContact O-CG 3.35Å; L426-L430 PolarHBondContact O-N 3.28Å |
| 427 | V | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | I191 I327 L420 D424 S429 L430 F431 | I191-V427 HydrophobicContact CD1-CG2 4.14Å; I327-V427 HydrophobicContact CD1-CG1 3.73Å; I327-V427 HydrophobicContact CD1-CG2 4.46Å; L420-V427 CarbonylContact O-C 3.56Å; D424-V427 HydrophobicContact CB-CB 4.02Å; D424-V427 HydrophobicContact CB-CG2 3.85Å; D424-V427 PolarHBondContact O-N 3.09Å; V427-S429 VanDerWaalsContact C-N 3.31Å; V427-S429 PolarHBondContact O-N 3.37Å; V427-L430 PolarHBondContact O-N 3.06Å; V427-F431 HydrophobicContact CG1-CD2 3.62Å; V427-F431 HydrophobicContact CG1-CE2 3.76Å; V427-F431 WeakPolarHBondContact O-CD2 3.07Å; V427-F431 PolarHBondContact O-N 3.22Å |
| 428 | A | 94.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L420 F421 D424 L426 R432 | L420-A428 WeakPolarHBondContact O-CA 3.48Å; L420-A428 PolarHBondContact O-N 3.38Å; F421-A428 WeakPolarHBondContact O-CB 3.33Å; D424-A428 VanDerWaalsContact O-CB 3.26Å; D424-A428 WeakPolarHBondContact O-CB 3.49Å; D424-A428 PolarHBondContact O-N 3.29Å; L426-A428 VanDerWaalsContact C-N 3.33Å; L426-A428 PolarHBondContact O-N 2.87Å; A428-R432 VanDerWaalsContact CB-NH1 3.26Å; A428-R432 VanDerWaalsContact O-CG 3.3Å; A428-R432 WeakPolarHBondContact O-CG 3.41Å; A428-R432 PolarHBondContact O-N 3.4Å; A428-R432 PolarHBondContact O-NH1 3.11Å |
| 429 | S | 95.9 | Very high | 95 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 11% | 0.105 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L425 L426 V427 F431 R432 N433 | L425-S429 WeakPolarHBondContact O-CB 3.35Å; L425-S429 PolarHBondContact O-N 2.7Å; L425-S429 PolarHBondContact O-OG 3.25Å; L426-S429 PolarHBondContact O-N 3.24Å; V427-S429 VanDerWaalsContact C-N 3.31Å; V427-S429 PolarHBondContact O-N 3.37Å; S429-F431 PolarHBondContact O-N 3.11Å; S429-R432 PolarHBondContact O-N 3.42Å; S429-N433 WeakPolarHBondContact O-CB 3.34Å; S429-N433 PolarHBondContact O-N 2.98Å; S429-N433 PolarHBondContact O-ND2 2.89Å; S429-N433 PolarHBondContact O-OD1 3.14Å |
| 430 | L | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 177.4 | -72.4 | 171.5 | 0 | 0 | 0 | 112.5 | Y110 L147 I191 L329 L353 L426 V427 N433 F434 | Y110-L430 HydrophobicContact CE1-CD2 4Å; L147-L430 HydrophobicContact CD1-CD1 3.57Å; I191-L430 HydrophobicContact CD1-CD1 3.81Å; L329-L430 HydrophobicContact CD1-CB 4.07Å; L353-L430 HydrophobicContact CB-CD2 4.11Å; L353-L430 HydrophobicContact CD1-CD2 4.48Å; L353-L430 WeakPolarHBondContact CD2-O 3.16Å; L426-L430 HydrophobicContact CD1-CD1 4.46Å; L426-L430 HydrophobicContact CD1-CG 4.43Å; L426-L430 HydrophobicContact CG-CD1 4.19Å; L426-L430 WeakPolarHBondContact O-CG 3.35Å; L426-L430 PolarHBondContact O-N 3.28Å; V427-L430 PolarHBondContact O-N 3.06Å; L430-N433 CarbonylContact O-C 3.52Å; L430-N433 PolarHBondContact O-N 3.1Å; L430-F434 VanDerWaalsContact O-CB 3.28Å; L430-F434 WeakPolarHBondContact O-CB 3.46Å; L430-F434 PolarHBondContact O-N 3.33Å |
| 431 | F | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72.1 | -37.6 | 179.4 | -87.3 | -77.4 | 0 | 0 | 0 | 113.5 | I327 L329 L420 F421 V427 S429 N433 F434 L435 L454 | I327-F431 HydrophobicContact CD1-CE2 4.39Å; I327-F431 HydrophobicContact CG2-CE2 3.55Å; I327-F431 HydrophobicContact CG2-CZ 3.64Å; L329-F431 HydrophobicContact CD2-CD1 4.28Å; L329-F431 HydrophobicContact CD2-CE1 3.67Å; L329-F431 HydrophobicContact CD2-CE2 4.39Å; L329-F431 HydrophobicContact CD2-CZ 3.74Å; L420-F431 HydrophobicContact CB-CD2 4.04Å; L420-F431 HydrophobicContact CB-CE2 4.32Å; L420-F431 HydrophobicContact CB-CG 4.22Å; L420-F431 HydrophobicContact CD1-CD1 4.07Å; L420-F431 HydrophobicContact CD1-CD2 4.46Å; L420-F431 HydrophobicContact CD1-CE1 3.78Å; L420-F431 HydrophobicContact CD1-CE2 4.21Å; L420-F431 HydrophobicContact CD1-CG 4.39Å; L420-F431 HydrophobicContact CD1-CZ 3.84Å; L420-F431 HydrophobicContact CD2-CD2 4.17Å; L420-F431 HydrophobicContact CD2-CE2 3.59Å; L420-F431 HydrophobicContact CD2-CZ 3.8Å; L420-F431 HydrophobicContact CG-CD2 4.44Å; L420-F431 HydrophobicContact CG-CE2 4.24Å; L420-F431 HydrophobicContact CG-CZ 4.33Å; F421-F431 HydrophobicContact CD2-CB 4.49Å; F421-F431 HydrophobicContact CE1-CB 4.24Å; F421-F431 HydrophobicContact CE2-CB 3.81Å; F421-F431 HydrophobicContact CZ-CB 3.67Å; V427-F431 HydrophobicContact CG1-CD2 3.62Å; V427-F431 HydrophobicContact CG1-CE2 3.76Å; V427-F431 WeakPolarHBondContact O-CD2 3.07Å; V427-F431 PolarHBondContact O-N 3.22Å; S429-F431 PolarHBondContact O-N 3.11Å; F431-N433 VanDerWaalsContact C-N 3.25Å; F431-N433 PolarHBondContact O-N 2.98Å; F431-F434 WeakPolarHBondContact O-CB 3.22Å; F431-F434 PolarHBondContact O-N 3.48Å; F431-L435 WeakPolarHBondContact O-CG 3.31Å; F431-L435 PolarHBondContact O-N 3.3Å; F431-L435 VanDerWaalsContact O-N 3.14Å; F431-L454 HydrophobicContact CD1-CD1 3.94Å; F431-L454 HydrophobicContact CE1-CD1 4.12Å |
| 432 | R | 97 | Very high | 95.4 | Very high | 31 Ų | 31 | 18.4 Ų | 18.4 | 12% | 0.117 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 169 | -74.7 | 175.4 | -169.2 | 95 | 15.1 | 111.1 | T404 D405 F421 A428 S429 F434 L435 | T404-R432 WeakPolarHBondContact OG1-CG 3.07Å; D405-R432 IonicContact OD1-CZ 3.22Å; D405-R432 IonicContact OD1-NE 3.6Å; D405-R432 PolarHBondContact OD1-NE 2.99Å; D405-R432 IonicContact OD1-NH2 2.7Å; D405-R432 PolarHBondContact OD1-NH2 2.87Å; D405-R432 IonicContact OD2-NH2 2.85Å; D405-R432 PolarHBondContact OD2-NH2 3.23Å; F421-R432 HydrophobicContact CD1-CG 3.91Å; F421-R432 HydrophobicContact CE1-CB 4.38Å; F421-R432 HydrophobicContact CE1-CG 3.62Å; F421-R432 PolarHBondContact O-NH2 3.45Å; A428-R432 VanDerWaalsContact CB-NH1 3.26Å; A428-R432 VanDerWaalsContact O-CG 3.3Å; A428-R432 WeakPolarHBondContact O-CG 3.41Å; A428-R432 PolarHBondContact O-N 3.4Å; A428-R432 PolarHBondContact O-NH1 3.11Å; S429-R432 PolarHBondContact O-N 3.42Å; R432-F434 VanDerWaalsContact C-N 3.3Å; R432-F434 PolarHBondContact O-N 3.23Å; R432-L435 WeakPolarHBondContact O-CB 3.17Å; R432-L435 PolarHBondContact O-N 2.69Å |
| 433 | N | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.6 | -24.8 | -177.1 | -59.2 | -9.6 | 0 | 0 | 0 | 111.7 | W113 C352 L353 P356 F400 S429 L430 F431 L436 A437 | W113-N433 WeakPolarHBondContact CZ2-ND2 3.08Å; C352-N433 WeakPolarHBondContact O-CB 3.31Å; L353-N433 HydrophobicContact CD2-CB 4.33Å; L353-N433 WeakPolarHBondContact O-CB 3.39Å; L353-N433 PolarHBondContact O-ND2 2.86Å; P356-N433 HydrophobicContact CB-CB 4.45Å; F400-N433 WeakPolarHBondContact CE1-OD1 3.14Å; S429-N433 WeakPolarHBondContact O-CB 3.34Å; S429-N433 PolarHBondContact O-N 2.98Å; S429-N433 PolarHBondContact O-ND2 2.89Å; S429-N433 PolarHBondContact O-OD1 3.14Å; L430-N433 CarbonylContact O-C 3.52Å; L430-N433 PolarHBondContact O-N 3.1Å; F431-N433 VanDerWaalsContact C-N 3.25Å; F431-N433 PolarHBondContact O-N 2.98Å; N433-L436 WeakPolarHBondContact O-CB 3.3Å; N433-L436 PolarHBondContact O-N 2.97Å; N433-A437 PolarHBondContact O-N 3.47Å |
| 434 | F | 98 | Very high | 95.8 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 2% | 0.022 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.7 | -34.5 | 171.5 | -177.4 | -93.1 | 0 | 0 | 0 | 111.8 | L329 F349 L353 L430 F431 R432 L436 A437 D438 P448 L454 | L329-F434 HydrophobicContact CB-CD2 4.39Å; L329-F434 HydrophobicContact CD2-CD2 3.77Å; L329-F434 HydrophobicContact CD2-CE2 4.07Å; L329-F434 HydrophobicContact CD2-CG 4.09Å; L329-F434 HydrophobicContact CG-CD2 4.46Å; F349-F434 AromaticContact CE2-CD2 3.8Å; F349-F434 HydrophobicContact CE2-CD2 3.8Å; F349-F434 AromaticContact CE2-CE2 3.86Å; F349-F434 HydrophobicContact CE2-CE2 3.86Å; F349-F434 AromaticContact CZ-CD2 4Å; F349-F434 HydrophobicContact CZ-CD2 4Å; F349-F434 HydrophobicContact CZ-CE2 4.01Å; L353-F434 HydrophobicContact CD2-CB 3.93Å; L353-F434 HydrophobicContact CD2-CD2 4.42Å; L430-F434 VanDerWaalsContact O-CB 3.28Å; L430-F434 WeakPolarHBondContact O-CB 3.46Å; L430-F434 PolarHBondContact O-N 3.33Å; F431-F434 WeakPolarHBondContact O-CB 3.22Å; F431-F434 PolarHBondContact O-N 3.48Å; R432-F434 VanDerWaalsContact C-N 3.3Å; R432-F434 PolarHBondContact O-N 3.23Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 3.15Å; F434-A437 CarbonylContact O-C 3.54Å; F434-A437 WeakPolarHBondContact O-CB 3.41Å; F434-A437 PolarHBondContact O-N 3.08Å; F434-A437 VanDerWaalsContact O-N 3.12Å; F434-D438 PolarHBondContact O-N 3.33Å; F434-P448 HydrophobicContact CD2-CB 4.46Å; F434-P448 HydrophobicContact CE2-CB 3.54Å; F434-P448 HydrophobicContact CZ-CB 3.63Å; F434-L454 HydrophobicContact CD1-CD1 3.86Å; F434-L454 HydrophobicContact CE1-CD1 4Å |
| 435 | L | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.1 | -54.8 | -175.3 | 0 | 0 | 0 | 111.4 | T404 I407 A408 F421 F431 R432 D438 R439 L454 T457 W463 | T404-L435 WeakPolarHBondContact O-CD1 3.36Å; I407-L435 HydrophobicContact CB-CD1 4.11Å; I407-L435 HydrophobicContact CG2-CD1 4Å; A408-L435 HydrophobicContact CB-CD1 4.21Å; F421-L435 HydrophobicContact CZ-CD1 4.24Å; F421-L435 HydrophobicContact CZ-CG 4.5Å; F431-L435 WeakPolarHBondContact O-CG 3.31Å; F431-L435 PolarHBondContact O-N 3.3Å; F431-L435 VanDerWaalsContact O-N 3.14Å; R432-L435 WeakPolarHBondContact O-CB 3.17Å; R432-L435 PolarHBondContact O-N 2.69Å; L435-D438 PolarHBondContact O-N 3.39Å; L435-R439 PolarHBondContact O-N 3.02Å; L435-R439 VanDerWaalsContact O-N 3.15Å; L435-L454 HydrophobicContact CD2-CD1 4.1Å; L435-T457 HydrophobicContact CD2-CG2 4.21Å; L435-T457 WeakPolarHBondContact CD2-OG1 3.39Å; L435-W463 HydrophobicContact CB-CZ2 4.08Å |
| 436 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 172.7 | 178.7 | 67.7 | 0 | 0 | 0 | 111.2 | P356 A360 F400 N433 F434 D438 R439 I440 W463 | P356-L436 HydrophobicContact CB-CD2 3.64Å; P356-L436 VanDerWaalsContact O-CD2 3.31Å; P356-L436 WeakPolarHBondContact O-CD2 3.32Å; A360-L436 HydrophobicContact CB-CD1 4.03Å; A360-L436 HydrophobicContact CB-CD2 4.01Å; F400-L436 HydrophobicContact CE2-CB 4.06Å; F400-L436 HydrophobicContact CE2-CD1 4.2Å; F400-L436 HydrophobicContact CE2-CD2 3.96Å; F400-L436 HydrophobicContact CE2-CG 4.29Å; F400-L436 HydrophobicContact CZ-CB 3.87Å; F400-L436 HydrophobicContact CZ-CD2 3.91Å; F400-L436 HydrophobicContact CZ-CG 4.39Å; N433-L436 WeakPolarHBondContact O-CB 3.3Å; N433-L436 PolarHBondContact O-N 2.97Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 3.15Å; L436-D438 VanDerWaalsContact C-N 3.35Å; L436-D438 PolarHBondContact O-N 3.3Å; L436-R439 PolarHBondContact O-N 3.42Å; L436-I440 HydrophobicContact CD1-CD1 3.7Å; L436-I440 HydrophobicContact CD1-CG1 3.98Å; L436-I440 HydrophobicContact CD2-CD1 4.24Å; L436-I440 HydrophobicContact CG-CD1 3.76Å; L436-I440 HydrophobicContact CG-CG1 4.27Å; L436-I440 WeakPolarHBondContact O-CG1 3.4Å; L436-I440 PolarHBondContact O-N 2.9Å; L436-W463 HydrophobicContact CB-CH2 4.2Å; L436-W463 HydrophobicContact CD1-CH2 4.2Å; L436-W463 HydrophobicContact CD1-CZ3 4.28Å |
| 437 | A | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F349 C352 N433 F434 R439 I440 M441 P448 | F349-A437 HydrophobicContact CD2-CB 3.89Å; F349-A437 HydrophobicContact CE2-CB 4.01Å; C352-A437 HydrophobicContact CB-CB 3.63Å; N433-A437 PolarHBondContact O-N 3.47Å; F434-A437 CarbonylContact O-C 3.54Å; F434-A437 WeakPolarHBondContact O-CB 3.41Å; F434-A437 PolarHBondContact O-N 3.08Å; F434-A437 VanDerWaalsContact O-N 3.12Å; A437-R439 VanDerWaalsContact C-N 3.27Å; A437-R439 PolarHBondContact O-N 3.43Å; A437-I440 PolarHBondContact O-N 2.85Å; A437-M441 VanDerWaalsContact O-CB 3.23Å; A437-M441 WeakPolarHBondContact O-CB 3.45Å; A437-M441 VanDerWaalsContact O-CG 3.29Å; A437-M441 WeakPolarHBondContact O-CG 3.38Å; A437-M441 PolarHBondContact O-N 3Å; A437-P448 HydrophobicContact CB-CG 4.48Å |
| 438 | D | 96.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 176.6 | -169.5 | 56.1 | 0 | 0 | 0 | 111 | F434 L435 L436 R442 H458 | F434-D438 PolarHBondContact O-N 3.33Å; L435-D438 PolarHBondContact O-N 3.39Å; L436-D438 VanDerWaalsContact C-N 3.35Å; L436-D438 PolarHBondContact O-N 3.3Å; D438-R442 VanDerWaalsContact O-CB 3.3Å; D438-R442 WeakPolarHBondContact O-CB 3.46Å; D438-R442 VanDerWaalsContact O-CD 3.22Å; D438-R442 WeakPolarHBondContact O-CD 3.46Å; D438-R442 WeakPolarHBondContact O-CG 3.38Å; D438-R442 PolarHBondContact O-N 3.21Å; D438-R442 IonicContact OD1-CZ 3.05Å; D438-R442 IonicContact OD1-NE 3.9Å; D438-R442 PolarHBondContact OD1-NE 3.16Å; D438-R442 IonicContact OD1-NH2 3.41Å; D438-R442 PolarHBondContact OD1-NH2 3.32Å; D438-R442 IonicContact OD2-CZ 3.4Å; D438-R442 IonicContact OD2-NE 3.32Å; D438-R442 PolarHBondContact OD2-NE 3.08Å; D438-R442 IonicContact OD2-NH2 2.94Å; D438-H458 IonicContact OD2-ND1 3.9Å |
| 439 | R | 96.3 | Very high | 96.2 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 12% | 0.117 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -53.9 | 176.3 | -173.7 | 176.8 | -173.8 | -138.4 | -5 | 113.3 | L435 L436 A437 H458 W463 D467 | L435-R439 PolarHBondContact O-N 3.02Å; L435-R439 VanDerWaalsContact O-N 3.15Å; L436-R439 PolarHBondContact O-N 3.42Å; A437-R439 VanDerWaalsContact C-N 3.27Å; A437-R439 PolarHBondContact O-N 3.43Å; R439-H458 HydrophobicContact CB-CB 4.28Å; R439-W463 HydrophobicContact CB-CZ2 4.5Å; R439-W463 VanDerWaalsContact CD-CD2 3.43Å; R439-D467 IonicContact CZ-OD1 3.99Å; R439-D467 IonicContact CZ-OD2 3.64Å; R439-D467 IonicContact NH1-OD1 3.87Å; R439-D467 PolarHBondContact NH1-OD1 2.96Å; R439-D467 IonicContact NH1-OD2 3.82Å; R439-D467 VanDerWaalsContact NH2-CG 3.26Å; R439-D467 IonicContact NH2-OD1 3.67Å; R439-D467 PolarHBondContact NH2-OD1 3.44Å; R439-D467 VanDerWaalsContact NH2-OD1 3.16Å; R439-D467 IonicContact NH2-OD2 3.9Å; R439-D467 PolarHBondContact NH2-OD2 3.34Å |
| 440 | I | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.9 | -48.7 | -174.6 | -69.4 | -178.3 | 0 | 0 | 0 | 110.6 | L348 T359 W363 L436 A437 R442 S443 Y444 | L348-I440 HydrophobicContact CD1-CG2 4.31Å; L348-I440 HydrophobicContact CD2-CG2 4.05Å; L348-I440 HydrophobicContact CG-CG2 4.42Å; T359-I440 HydrophobicContact CG2-CD1 3.97Å; W363-I440 HydrophobicContact CB-CD1 3.86Å; W363-I440 HydrophobicContact CB-CG1 4.21Å; W363-I440 HydrophobicContact CB-CG2 4.44Å; W363-I440 HydrophobicContact CD2-CD1 4.37Å; W363-I440 HydrophobicContact CD2-CG1 3.83Å; W363-I440 HydrophobicContact CE3-CG1 4.23Å; W363-I440 HydrophobicContact CG-CB 4.44Å; W363-I440 HydrophobicContact CG-CD1 4.03Å; W363-I440 HydrophobicContact CG-CG1 3.81Å; W363-I440 HydrophobicContact CG-CG2 4.05Å; L436-I440 HydrophobicContact CD1-CD1 3.7Å; L436-I440 HydrophobicContact CD1-CG1 3.98Å; L436-I440 HydrophobicContact CD2-CD1 4.24Å; L436-I440 HydrophobicContact CG-CD1 3.76Å; L436-I440 HydrophobicContact CG-CG1 4.27Å; L436-I440 WeakPolarHBondContact O-CG1 3.4Å; L436-I440 PolarHBondContact O-N 2.9Å; A437-I440 PolarHBondContact O-N 2.85Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.01Å; I440-S443 WeakPolarHBondContact O-CB 3.39Å; I440-S443 PolarHBondContact O-N 2.62Å; I440-S443 PolarHBondContact O-OG 2.93Å; I440-Y444 HydrophobicContact CG2-CE2 4.45Å; I440-Y444 WeakPolarHBondContact O-CD2 3.46Å |
| 441 | M | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.5 | -33.4 | -174.1 | -65 | -169.9 | 80.8 | 0 | 0 | 111.9 | A331 L338 L348 F349 A437 S443 Y444 K445 C446 P448 | A331-M441 HydrophobicContact CB-CE 4.33Å; A331-M441 VanDerWaalsContact O-CE 3.24Å; A331-M441 WeakPolarHBondContact O-CE 3.35Å; L338-M441 HydrophobicContact CD2-CE 3.91Å; L348-M441 HydrophobicContact CD2-CG 4.41Å; F349-M441 HydrophobicContact CB-CE 4.07Å; F349-M441 HydrophobicContact CB-SD 3.76Å; F349-M441 HydrophobicContact CD2-SD 3.59Å; F349-M441 VanDerWaalsContact CD2-SD 3.59Å; F349-M441 HydrophobicContact CG-SD 4.11Å; A437-M441 VanDerWaalsContact O-CB 3.23Å; A437-M441 WeakPolarHBondContact O-CB 3.45Å; A437-M441 VanDerWaalsContact O-CG 3.29Å; A437-M441 WeakPolarHBondContact O-CG 3.38Å; A437-M441 PolarHBondContact O-N 3Å; M441-S443 VanDerWaalsContact C-N 3.27Å; M441-S443 PolarHBondContact O-N 3.39Å; M441-Y444 CarbonylContact O-C 3.39Å; M441-Y444 WeakPolarHBondContact O-CA 3.36Å; M441-Y444 PolarHBondContact O-N 3.31Å; M441-K445 PolarHBondContact O-N 3.32Å; M441-C446 CarbonylContact C-O 3.56Å; M441-C446 HydrophobicContact CB-CB 4.11Å; M441-C446 WeakPolarHBondContact CB-O 3.33Å; M441-C446 HydrophobicContact CE-CB 4.23Å; M441-C446 WeakPolarHBondContact CE-SG 3.22Å; M441-C446 PolarHBondContact O-N 3.1Å; M441-P448 HydrophobicContact CB-CG 3.83Å; M441-P448 HydrophobicContact CG-CG 4.14Å; M441-P448 HydrophobicContact SD-CG 3.65Å |
| 442 | R | 94.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 29.3 Ų | 29.3 | 30% | 0.302 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.4 | -32 | 175.6 | -77 | 175.9 | -167 | -81.4 | -2.6 | 112.8 | D438 I440 Y444 K445 C446 H458 | D438-R442 VanDerWaalsContact O-CB 3.3Å; D438-R442 WeakPolarHBondContact O-CB 3.46Å; D438-R442 VanDerWaalsContact O-CD 3.22Å; D438-R442 WeakPolarHBondContact O-CD 3.46Å; D438-R442 WeakPolarHBondContact O-CG 3.38Å; D438-R442 PolarHBondContact O-N 3.21Å; D438-R442 IonicContact OD1-CZ 3.05Å; D438-R442 IonicContact OD1-NE 3.9Å; D438-R442 PolarHBondContact OD1-NE 3.16Å; D438-R442 IonicContact OD1-NH2 3.41Å; D438-R442 PolarHBondContact OD1-NH2 3.32Å; D438-R442 IonicContact OD2-CZ 3.4Å; D438-R442 IonicContact OD2-NE 3.32Å; D438-R442 PolarHBondContact OD2-NE 3.08Å; D438-R442 IonicContact OD2-NH2 2.94Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.01Å; R442-Y444 PolarHBondContact O-N 3.22Å; R442-K445 PolarHBondContact O-N 3.13Å; R442-C446 VanDerWaalsContact CA-O 3.29Å; R442-C446 WeakPolarHBondContact CA-O 3.42Å; R442-C446 PolarHBondContact N-O 2.99Å; R442-H458 WeakPolarHBondContact CD-ND1 3.41Å; R442-H458 PolarHBondContact NE-ND1 2.96Å |
| 443 | S | 93.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 37% | 0.371 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.6 | -22.7 | 173 | 76 | 0 | 0 | 0 | 0 | 112.9 | W363 I440 M441 | W363-S443 PolarHBondContact NE1-OG 3.3Å; I440-S443 WeakPolarHBondContact O-CB 3.39Å; I440-S443 PolarHBondContact O-N 2.62Å; I440-S443 PolarHBondContact O-OG 2.93Å; M441-S443 VanDerWaalsContact C-N 3.27Å; M441-S443 PolarHBondContact O-N 3.39Å |
| 444 | Y | 93.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 24.2 | 174.5 | -61.7 | -77.2 | 0 | 0 | 0 | 113.2 | P339 H341 L344 L348 W363 I440 M441 R442 C446 | P339-Y444 HydrophobicContact CB-CG 4.19Å; P339-Y444 HydrophobicContact CG-CG 4.32Å; H341-Y444 HydrophobicContact CB-CE1 4.42Å; L344-Y444 HydrophobicContact CD1-CD1 4.36Å; L344-Y444 HydrophobicContact CD1-CD2 4.08Å; L344-Y444 HydrophobicContact CD1-CE1 3.85Å; L344-Y444 HydrophobicContact CD1-CE2 3.54Å; L344-Y444 HydrophobicContact CD1-CG 4.48Å; L344-Y444 VanDerWaalsContact CD1-CZ 3.43Å; L348-Y444 HydrophobicContact CD2-CD2 4.42Å; W363-Y444 AromaticContact CD1-CE2 3.81Å; I440-Y444 HydrophobicContact CG2-CE2 4.45Å; I440-Y444 WeakPolarHBondContact O-CD2 3.46Å; M441-Y444 CarbonylContact O-C 3.39Å; M441-Y444 WeakPolarHBondContact O-CA 3.36Å; M441-Y444 PolarHBondContact O-N 3.31Å; R442-Y444 PolarHBondContact O-N 3.22Å; Y444-C446 PolarHBondContact O-N 3.41Å |
| 445 | K | 93.1 | Very high | 95.2 | Very high | 188 Ų | 188 | 36.4 Ų | 36.4 | 82% | 0.817 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.7 | 179.2 | -54.4 | -179.1 | 179.1 | -179.5 | 0 | 114.6 | M441 R442 | M441-K445 PolarHBondContact O-N 3.32Å; R442-K445 PolarHBondContact O-N 3.13Å |
| 446 | C | 94.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -112.8 | 131 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | A331 C332 P339 M441 R442 Y444 | A331-C446 PolarHBondContact O-SG 2.8Å; A331-C446 VanDerWaalsContact O-SG 3.41Å; C332-C446 WeakPolarHBondContact CB-SG 3.48Å; P339-C446 HydrophobicContact CG-CB 4.18Å; M441-C446 CarbonylContact C-O 3.56Å; M441-C446 HydrophobicContact CB-CB 4.11Å; M441-C446 WeakPolarHBondContact CB-O 3.33Å; M441-C446 HydrophobicContact CE-CB 4.23Å; M441-C446 WeakPolarHBondContact CE-SG 3.22Å; M441-C446 PolarHBondContact O-N 3.1Å; R442-C446 VanDerWaalsContact CA-O 3.29Å; R442-C446 WeakPolarHBondContact CA-O 3.42Å; R442-C446 PolarHBondContact N-O 2.99Å; Y444-C446 PolarHBondContact O-N 3.41Å | ||
| 447 | T | 96.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | trans | -113.6 | 106.9 | -175.6 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | C332 A333 | C332-T447 CarbonylContact C-O 3.54Å; C332-T447 VanDerWaalsContact C-O 3.24Å; C332-T447 VanDerWaalsContact CA-O 3.28Å; C332-T447 WeakPolarHBondContact CA-O 3.34Å; A333-T447 PolarHBondContact N-O 2.84Å | ||
| 448 | P | 97 | Very high | 94.5 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | trans | -62.4 | 147.9 | 172.2 | -23.8 | 36.9 | 0 | 0 | 0 | 111.7 | A330 F349 F434 A437 M441 | A330-P448 CarbonylContact O-C 3.49Å; A330-P448 VanDerWaalsContact O-CA 3.3Å; A330-P448 WeakPolarHBondContact O-CA 3.16Å; F349-P448 HydrophobicContact CE2-CB 4.04Å; F434-P448 HydrophobicContact CD2-CB 4.46Å; F434-P448 HydrophobicContact CE2-CB 3.54Å; F434-P448 HydrophobicContact CZ-CB 3.63Å; A437-P448 HydrophobicContact CB-CG 4.48Å; M441-P448 HydrophobicContact CB-CG 3.83Å; M441-P448 HydrophobicContact CG-CG 4.14Å; M441-P448 HydrophobicContact SD-CG 3.65Å | ||
| 449 | I | 96 | Very high | 94.4 | Very high | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.6 | -179.9 | -62.4 | -179 | 0 | 0 | 0 | 109.5 | L329 A330 A333 | L329-I449 CarbonylContact C-O 3.57Å; A330-I449 HydrophobicContact CB-CB 4.3Å; A330-I449 PolarHBondContact N-O 2.9Å; A330-I449 PolarHBondContact O-N 3.29Å; A333-I449 HydrophobicContact CB-CD1 4.09Å |
| 450 | S | 96.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.4 | 170.3 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | Q328 P452 P453 L454 | Q328-S450 CarbonylContact O-C 3.6Å; Q328-S450 VanDerWaalsContact O-CA 3.26Å; Q328-S450 WeakPolarHBondContact O-CA 3.46Å; S450-P452 CarbonylContact C-O 3.55Å; S450-P452 VanDerWaalsContact C-O 3.31Å; S450-P452 WeakPolarHBondContact CB-O 3.28Å; S450-P452 CarbonylContact O-C 3.57Å; S450-P452 PolarHBondContact OG-O 2.96Å; S450-P453 WeakPolarHBondContact O-CA 3.2Å; S450-L454 WeakPolarHBondContact OG-CG 3.24Å; S450-L454 PolarHBondContact OG-N 2.52Å |
| 451 | S | 94.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.1 | 165.1 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | I327 Q328 | I327-S451 CarbonylContact C-O 3.53Å; I327-S451 WeakPolarHBondContact CA-O 3.49Å; Q328-S451 PolarHBondContact N-O 2.81Å; Q328-S451 PolarHBondContact O-N 3.21Å |
| 452 | P | 94.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 16% | 0.156 | 29% | 0.288 | C | S | . | . | S | Bend | cis | -62.4 | 150.3 | 1.5 | 26.8 | -35.5 | 0 | 0 | 0 | 113.7 | L416 L420 S450 | L416-P452 HydrophobicContact CD1-CB 4.05Å; L416-P452 HydrophobicContact CD1-CG 3.53Å; L420-P452 HydrophobicContact CD1-CG 4.18Å; L420-P452 HydrophobicContact CD2-CG 4.27Å; S450-P452 CarbonylContact C-O 3.55Å; S450-P452 VanDerWaalsContact C-O 3.31Å; S450-P452 WeakPolarHBondContact CB-O 3.28Å; S450-P452 CarbonylContact O-C 3.57Å; S450-P452 PolarHBondContact OG-O 2.96Å |
| 453 | P | 93.7 | Very high | 94.3 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 67% | 0.669 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 137.1 | -179.2 | 28.9 | -34 | 0 | 0 | 0 | 111 | S450 | S450-P453 WeakPolarHBondContact O-CA 3.2Š|
| 454 | L | 93.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -98 | 148.1 | 172.6 | -56.9 | 177.3 | 0 | 0 | 0 | 110.3 | L412 L416 L420 F431 F434 L435 S450 | L412-L454 HydrophobicContact CD1-CD2 4.09Å; L412-L454 HydrophobicContact CD2-CB 4.42Å; L412-L454 HydrophobicContact CD2-CD2 3.59Å; L416-L454 HydrophobicContact CD2-CD2 4.34Å; L420-L454 HydrophobicContact CD1-CD2 3.84Å; F431-L454 HydrophobicContact CD1-CD1 3.94Å; F431-L454 HydrophobicContact CE1-CD1 4.12Å; F434-L454 HydrophobicContact CD1-CD1 3.86Å; F434-L454 HydrophobicContact CE1-CD1 4Å; L435-L454 HydrophobicContact CD2-CD1 4.1Å; S450-L454 WeakPolarHBondContact OG-CG 3.24Å; S450-L454 PolarHBondContact OG-N 2.52Å |
| 455 | P | 92.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 52 Ų | 52 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 160.1 | 165.7 | 26.3 | -29.6 | 0 | 0 | 0 | 110.8 | S411 L412 T457 | S411-P455 VanDerWaalsContact O-CG 3.25Å; S411-P455 WeakPolarHBondContact O-CG 3.27Å; L412-P455 VanDerWaalsContact CD2-CD 3.41Å; L412-P455 HydrophobicContact CD2-CG 3.87Å; P455-T457 PolarHBondContact O-N 3.44Å |
| 456 | P | 89.9 | Confident | 94.6 | Very high | 87 Ų | 87 | 43 Ų | 43 | 57% | 0.565 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -60.8 | 128.7 | 175.9 | 25.3 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 457 | T | 94.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | trans | -126.5 | 0.6 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | I407 L435 P455 D459 H460 W463 | I407-T457 HydrophobicContact CG2-CG2 3.87Å; L435-T457 HydrophobicContact CD2-CG2 4.21Å; L435-T457 WeakPolarHBondContact CD2-OG1 3.39Å; P455-T457 PolarHBondContact O-N 3.44Å; T457-D459 VanDerWaalsContact C-N 3.33Å; T457-D459 PolarHBondContact O-N 3.4Å; T457-H460 PolarHBondContact O-N 3.04Å; T457-W463 PolarHBondContact O-NE1 2.62Å | ||
| 458 | H | 93.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24 | -172.7 | 61.6 | -81.2 | 0 | 0 | 0 | 114.5 | D438 R439 R442 | D438-H458 IonicContact OD2-ND1 3.9Å; R439-H458 HydrophobicContact CB-CB 4.28Å; R442-H458 WeakPolarHBondContact CD-ND1 3.41Å; R442-H458 PolarHBondContact NE-ND1 2.96Å |
| 459 | D | 92.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 65% | 0.647 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 9.1 | -177.5 | 61.2 | -21.9 | 0 | 0 | 0 | 113 | T457 V461 | T457-D459 VanDerWaalsContact C-N 3.33Å; T457-D459 PolarHBondContact O-N 3.4Å; D459-V461 PolarHBondContact O-N 3.19Å |
| 460 | H | 95.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 17% | 0.167 | 26% | 0.258 | C | S | . | . | trans | -63.8 | 134.8 | 179.3 | -170.9 | -77.3 | 0 | 0 | 0 | 111.9 | I407 T457 M462 W463 | I407-H460 HydrophobicContact CG1-CB 4.24Å; I407-H460 HydrophobicContact CG2-CB 4.09Å; T457-H460 PolarHBondContact O-N 3.04Å; H460-M462 PolarHBondContact ND1-N 3.01Å; H460-M462 PolarHBondContact O-N 3.28Å; H460-W463 WeakPolarHBondContact O-CB 3.42Å; H460-W463 PolarHBondContact O-N 2.95Å | ||
| 461 | V | 94.5 | Very high | 94.1 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 47% | 0.473 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -32.6 | -173.9 | 70.6 | 0 | 0 | 0 | 0 | 114.6 | D459 W463 E464 | D459-V461 PolarHBondContact O-N 3.19Å; V461-W463 PolarHBondContact O-N 2.92Å; V461-W463 VanDerWaalsContact O-N 3.09Å; V461-E464 VanDerWaalsContact O-CB 3.3Å; V461-E464 WeakPolarHBondContact O-CB 3.18Å; V461-E464 PolarHBondContact O-N 3.18Å |
| 462 | M | 94.9 | Very high | 94 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -20.4 | 176.8 | -72.4 | -61.9 | -64.6 | 0 | 0 | 114.4 | V403 T406 I407 H460 E464 A465 W466 F531 Q554 I558 | V403-M462 HydrophobicContact CG1-CB 4.13Å; V403-M462 HydrophobicContact CG2-CE 4.15Å; T406-M462 HydrophobicContact CG2-CE 4.11Å; T406-M462 HydrophobicContact CG2-CG 3.83Å; T406-M462 HydrophobicContact CG2-SD 4.15Å; I407-M462 HydrophobicContact CD1-CB 4.15Å; I407-M462 HydrophobicContact CG1-CB 3.76Å; I407-M462 HydrophobicContact CG1-CG 4.43Å; H460-M462 PolarHBondContact ND1-N 3.01Å; H460-M462 PolarHBondContact O-N 3.28Å; M462-E464 VanDerWaalsContact C-N 3.28Å; M462-A465 PolarHBondContact O-N 3.48Å; M462-W466 PolarHBondContact O-N 3.1Å; M462-F531 HydrophobicContact CE-CE2 4.26Å; M462-F531 HydrophobicContact CE-CZ 4.06Å; M462-Q554 PolarHBondContact SD-NE2 3.37Å; M462-I558 HydrophobicContact CE-CD1 3.59Å |
| 463 | W | 96.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -29.9 | 171.8 | -74.3 | 125.1 | 0 | 0 | 0 | 112.8 | F400 V403 T404 I407 L435 L436 R439 T457 H460 V461 A465 W466 D467 | F400-W463 HydrophobicContact CE2-CH2 4.22Å; F400-W463 HydrophobicContact CE2-CZ3 4.21Å; V403-W463 HydrophobicContact CG1-CE3 4.24Å; V403-W463 HydrophobicContact CG1-CZ3 4.35Å; T404-W463 HydrophobicContact CG2-CH2 3.89Å; I407-W463 HydrophobicContact CD1-CD2 3.75Å; I407-W463 HydrophobicContact CD1-CE3 4.35Å; I407-W463 HydrophobicContact CD1-CG 4.11Å; I407-W463 HydrophobicContact CD1-CH2 4.33Å; I407-W463 HydrophobicContact CD1-CZ2 3.73Å; L435-W463 HydrophobicContact CB-CZ2 4.08Å; L436-W463 HydrophobicContact CB-CH2 4.2Å; L436-W463 HydrophobicContact CD1-CH2 4.2Å; L436-W463 HydrophobicContact CD1-CZ3 4.28Å; R439-W463 HydrophobicContact CB-CZ2 4.5Å; R439-W463 VanDerWaalsContact CD-CD2 3.43Å; T457-W463 PolarHBondContact O-NE1 2.62Å; H460-W463 WeakPolarHBondContact O-CB 3.42Å; H460-W463 PolarHBondContact O-N 2.95Å; V461-W463 PolarHBondContact O-N 2.92Å; V461-W463 VanDerWaalsContact O-N 3.09Å; W463-A465 VanDerWaalsContact C-N 3.32Å; W463-W466 HydrophobicContact CE3-CB 4.16Å; W463-W466 AromaticContact CE3-CD1 3.93Å; W463-W466 HydrophobicContact CE3-CG 4.18Å; W463-W466 HydrophobicContact CZ3-CG 4.35Å; W463-W466 WeakPolarHBondContact O-CB 3.27Å; W463-W466 PolarHBondContact O-N 3.34Å; W463-D467 WeakPolarHBondContact O-CB 3.29Å; W463-D467 VanDerWaalsContact O-CG 3.3Å; W463-D467 PolarHBondContact O-N 3.03Å |
| 464 | E | 95.2 | Very high | 93.7 | Very high | 138 Ų | 138 | 43.9 Ų | 43.9 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.4 | -38.7 | 174.1 | -58.3 | -178.5 | 171.8 | 0 | 0 | 110.9 | V461 M462 W466 D467 H468 | V461-E464 VanDerWaalsContact O-CB 3.3Å; V461-E464 WeakPolarHBondContact O-CB 3.18Å; V461-E464 PolarHBondContact O-N 3.18Å; M462-E464 VanDerWaalsContact C-N 3.28Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 3.28Å; E464-D467 PolarHBondContact O-N 3.25Å; E464-H468 WeakPolarHBondContact O-CB 3.45Å; E464-H468 PolarHBondContact O-N 3.21Å |
| 465 | A | 94.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M462 W463 T469 F531 | M462-A465 PolarHBondContact O-N 3.48Å; W463-A465 VanDerWaalsContact C-N 3.32Å; A465-T469 PolarHBondContact O-N 3.09Å; A465-T469 VanDerWaalsContact O-N 3.1Å; A465-T469 PolarHBondContact O-OG1 2.83Å; A465-F531 HydrophobicContact CB-CE2 4.06Å |
| 466 | W | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 171.9 | 170 | -107 | 0 | 0 | 0 | 112.2 | I357 A360 L396 I399 F400 V403 M462 W463 E464 H468 T469 L470 | I357-W466 HydrophobicContact CD1-CH2 4.06Å; A360-W466 HydrophobicContact CB-CZ2 4Å; L396-W466 HydrophobicContact CB-CH2 4.3Å; L396-W466 HydrophobicContact CD2-CH2 4.23Å; L396-W466 HydrophobicContact CD2-CZ3 4.21Å; L396-W466 WeakPolarHBondContact O-CZ3 3.37Å; I399-W466 HydrophobicContact CG2-CE3 4.17Å; I399-W466 HydrophobicContact CG2-CZ3 4.38Å; F400-W466 HydrophobicContact CB-CE3 4.25Å; F400-W466 HydrophobicContact CB-CH2 3.83Å; F400-W466 HydrophobicContact CB-CZ3 3.69Å; F400-W466 HydrophobicContact CD2-CD2 4.39Å; F400-W466 HydrophobicContact CD2-CH2 4.22Å; F400-W466 HydrophobicContact CD2-CZ2 4.05Å; F400-W466 HydrophobicContact CD2-CZ3 4.45Å; F400-W466 HydrophobicContact CG-CH2 4.44Å; V403-W466 HydrophobicContact CG1-CB 4.17Å; V403-W466 HydrophobicContact CG2-CB 4.29Å; M462-W466 PolarHBondContact O-N 3.1Å; W463-W466 HydrophobicContact CE3-CB 4.16Å; W463-W466 AromaticContact CE3-CD1 3.93Å; W463-W466 HydrophobicContact CE3-CG 4.18Å; W463-W466 HydrophobicContact CZ3-CG 4.35Å; W463-W466 WeakPolarHBondContact O-CB 3.27Å; W463-W466 PolarHBondContact O-N 3.34Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 3.28Å; W466-H468 VanDerWaalsContact C-N 3.32Å; W466-H468 PolarHBondContact O-N 3.36Å; W466-T469 WeakPolarHBondContact O-CB 3.41Å; W466-T469 PolarHBondContact O-N 3.5Å; W466-T469 VanDerWaalsContact O-N 3.14Å; W466-L470 HydrophobicContact CD2-CD1 4.42Å; W466-L470 HydrophobicContact CD2-CG 4.25Å; W466-L470 HydrophobicContact CH2-CD2 3.85Å; W466-L470 HydrophobicContact CH2-CG 4.24Å; W466-L470 HydrophobicContact CZ2-CD1 3.73Å; W466-L470 HydrophobicContact CZ2-CD2 3.62Å; W466-L470 HydrophobicContact CZ2-CG 3.73Å; W466-L470 VanDerWaalsContact NE1-CD1 3.3Å; W466-L470 PolarHBondContact O-N 3.46Å |
| 467 | D | 96 | Very high | 92.9 | Very high | 33 Ų | 33 | 42 Ų | 42 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 179.4 | -75.5 | 5.7 | 0 | 0 | 0 | 111.7 | Y364 R439 W463 E464 L470 D471 | Y364-D467 HydrophobicContact CE2-CB 3.8Å; Y364-D467 PolarHBondContact OH-O 2.85Å; R439-D467 IonicContact CZ-OD1 3.99Å; R439-D467 IonicContact CZ-OD2 3.64Å; R439-D467 IonicContact NH1-OD1 3.87Å; R439-D467 PolarHBondContact NH1-OD1 2.96Å; R439-D467 IonicContact NH1-OD2 3.82Å; R439-D467 VanDerWaalsContact NH2-CG 3.26Å; R439-D467 IonicContact NH2-OD1 3.67Å; R439-D467 PolarHBondContact NH2-OD1 3.44Å; R439-D467 VanDerWaalsContact NH2-OD1 3.16Å; R439-D467 IonicContact NH2-OD2 3.9Å; R439-D467 PolarHBondContact NH2-OD2 3.34Å; W463-D467 WeakPolarHBondContact O-CB 3.29Å; W463-D467 VanDerWaalsContact O-CG 3.3Å; W463-D467 PolarHBondContact O-N 3.03Å; E464-D467 PolarHBondContact O-N 3.25Å; D467-L470 PolarHBondContact O-N 3.07Å; D467-D471 PolarHBondContact O-N 3.09Å |
| 468 | H | 94.5 | Very high | 92.1 | Very high | 119 Ų | 119 | 43.8 Ų | 43.8 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.6 | -42 | 173.5 | -179.7 | 65.7 | 0 | 0 | 0 | 112.1 | E464 W466 L470 D471 V472 | E464-H468 WeakPolarHBondContact O-CB 3.45Å; E464-H468 PolarHBondContact O-N 3.21Å; W466-H468 VanDerWaalsContact C-N 3.32Å; W466-H468 PolarHBondContact O-N 3.36Å; H468-L470 VanDerWaalsContact C-N 3.33Å; H468-L470 PolarHBondContact O-N 3.16Å; H468-D471 PolarHBondContact O-N 3.44Å; H468-V472 WeakPolarHBondContact O-CG2 3.32Å; H468-V472 PolarHBondContact O-N 3.39Å; H468-V472 VanDerWaalsContact O-N 3.07Å |
| 469 | T | 94.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L396 I399 A465 W466 C473 | L396-T469 HydrophobicContact CD2-CG2 3.94Å; I399-T469 HydrophobicContact CD1-CG2 3.61Å; I399-T469 HydrophobicContact CG2-CG2 4.19Å; A465-T469 PolarHBondContact O-N 3.09Å; A465-T469 VanDerWaalsContact O-N 3.1Å; A465-T469 PolarHBondContact O-OG1 2.83Å; W466-T469 WeakPolarHBondContact O-CB 3.41Å; W466-T469 PolarHBondContact O-N 3.5Å; W466-T469 VanDerWaalsContact O-N 3.14Å; T469-C473 WeakPolarHBondContact O-CB 3.38Å; T469-C473 PolarHBondContact O-N 3.38Å |
| 470 | L | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.5 | -76.4 | -176.9 | 0 | 0 | 0 | 112 | V361 Y364 L396 W466 D467 H468 V472 C473 L474 | V361-L470 HydrophobicContact CG2-CD2 3.89Å; Y364-L470 HydrophobicContact CD1-CB 4.45Å; Y364-L470 HydrophobicContact CD2-CB 4.46Å; Y364-L470 HydrophobicContact CD2-CD1 3.98Å; Y364-L470 HydrophobicContact CE1-CB 4.47Å; Y364-L470 HydrophobicContact CE2-CB 4.47Å; Y364-L470 HydrophobicContact CG-CB 4.46Å; Y364-L470 HydrophobicContact CG-CD1 3.95Å; L396-L470 HydrophobicContact CD1-CD2 4.17Å; L396-L470 HydrophobicContact CD2-CD2 3.93Å; W466-L470 HydrophobicContact CD2-CD1 4.42Å; W466-L470 HydrophobicContact CD2-CG 4.25Å; W466-L470 HydrophobicContact CH2-CD2 3.85Å; W466-L470 HydrophobicContact CH2-CG 4.24Å; W466-L470 HydrophobicContact CZ2-CD1 3.73Å; W466-L470 HydrophobicContact CZ2-CD2 3.62Å; W466-L470 HydrophobicContact CZ2-CG 3.73Å; W466-L470 VanDerWaalsContact NE1-CD1 3.3Å; W466-L470 PolarHBondContact O-N 3.46Å; D467-L470 PolarHBondContact O-N 3.07Å; H468-L470 VanDerWaalsContact C-N 3.33Å; H468-L470 PolarHBondContact O-N 3.16Å; L470-V472 PolarHBondContact O-N 3.43Å; L470-C473 PolarHBondContact O-N 3.27Å; L470-L474 WeakPolarHBondContact O-CB 3.35Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.46Å; L470-L474 PolarHBondContact O-N 3.02Å |
| 471 | D | 92 | Very high | 88.8 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 179.2 | -165.8 | 21.4 | 0 | 0 | 0 | 111.3 | Y364 D467 H468 C473 L474 N475 | Y364-D471 WeakPolarHBondContact OH-CB 3.48Å; D467-D471 PolarHBondContact O-N 3.09Å; H468-D471 PolarHBondContact O-N 3.44Å; D471-C473 PolarHBondContact O-N 2.58Å; D471-L474 PolarHBondContact O-N 3.2Å; D471-N475 WeakPolarHBondContact O-CB 3.49Å; D471-N475 VanDerWaalsContact O-CG 3.23Å; D471-N475 PolarHBondContact O-N 3.43Å; D471-N475 PolarHBondContact O-ND2 3.24Å; D471-N475 PolarHBondContact OD1-ND2 2.99Å |
| 472 | V | 91.9 | Very high | 87.3 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 178.6 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | H468 L470 N475 Q476 | H468-V472 WeakPolarHBondContact O-CG2 3.32Å; H468-V472 PolarHBondContact O-N 3.39Å; H468-V472 VanDerWaalsContact O-N 3.07Å; L470-V472 PolarHBondContact O-N 3.43Å; V472-N475 PolarHBondContact O-N 3.02Å; V472-Q476 WeakPolarHBondContact O-CG 3.14Å; V472-Q476 PolarHBondContact O-N 2.97Å; V472-Q476 VanDerWaalsContact O-N 3.09Å |
| 473 | C | 91.5 | Very high | 85.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | -179 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | L396 T469 L470 D471 N475 Q476 L477 | L396-C473 HydrophobicContact CD2-CB 4.14Å; T469-C473 WeakPolarHBondContact O-CB 3.38Å; T469-C473 PolarHBondContact O-N 3.38Å; L470-C473 PolarHBondContact O-N 3.27Å; D471-C473 PolarHBondContact O-N 2.58Å; C473-N475 PolarHBondContact O-N 3.19Å; C473-Q476 PolarHBondContact O-N 3.31Å; C473-L477 WeakPolarHBondContact O-CG 3.12Å; C473-L477 PolarHBondContact O-N 3.14Å |
| 474 | L | 89.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | -179.1 | -69.1 | 173.7 | 0 | 0 | 0 | 112.5 | V361 Y364 I365 L374 L470 D471 L477 T478 | V361-L474 HydrophobicContact CG1-CD1 4.33Å; V361-L474 HydrophobicContact CG1-CD2 3.97Å; Y364-L474 HydrophobicContact CD1-CD1 3.97Å; Y364-L474 HydrophobicContact CE1-CD1 4.3Å; I365-L474 HydrophobicContact CG1-CD1 4.36Å; L374-L474 HydrophobicContact CD1-CB 4.48Å; L470-L474 WeakPolarHBondContact O-CB 3.35Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.46Å; L470-L474 PolarHBondContact O-N 3.02Å; D471-L474 PolarHBondContact O-N 3.2Å; L474-L477 PolarHBondContact O-N 3.38Å; L474-T478 PolarHBondContact O-N 3.49Å; L474-T478 PolarHBondContact O-OG1 3.42Å |
| 475 | N | 87.3 | Confident | 81 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 175.1 | -73.6 | -39 | 0 | 0 | 0 | 111.5 | D471 V472 C473 T478 S479 | D471-N475 WeakPolarHBondContact O-CB 3.49Å; D471-N475 VanDerWaalsContact O-CG 3.23Å; D471-N475 PolarHBondContact O-N 3.43Å; D471-N475 PolarHBondContact O-ND2 3.24Å; D471-N475 PolarHBondContact OD1-ND2 2.99Å; V472-N475 PolarHBondContact O-N 3.02Å; C473-N475 PolarHBondContact O-N 3.19Å; N475-T478 PolarHBondContact O-N 3.13Å; N475-S479 PolarHBondContact O-N 2.86Å; N475-S479 VanDerWaalsContact O-N 3.11Å |
| 476 | Q | 88.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 173.3 | -72.1 | -171.6 | 34.9 | 0 | 0 | 111.5 | V472 C473 T478 S479 L480 Y526 V527 | V472-Q476 WeakPolarHBondContact O-CG 3.14Å; V472-Q476 PolarHBondContact O-N 2.97Å; V472-Q476 VanDerWaalsContact O-N 3.09Å; C473-Q476 PolarHBondContact O-N 3.31Å; Q476-T478 VanDerWaalsContact C-N 3.3Å; Q476-T478 PolarHBondContact O-N 2.64Å; Q476-S479 PolarHBondContact O-N 3.22Å; Q476-S479 VanDerWaalsContact O-N 3.17Å; Q476-S479 PolarHBondContact O-OG 2.94Å; Q476-L480 WeakPolarHBondContact O-CG 3.37Å; Q476-L480 PolarHBondContact O-N 3.38Å; Q476-Y526 VanDerWaalsContact OE1-CD2 3.32Å; Q476-V527 PolarHBondContact NE2-O 3Å; Q476-V527 VanDerWaalsContact OE1-N 3.15Å; Q476-V527 PolarHBondContact OE1-O 3.47Å |
| 477 | L | 83.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 178.5 | -69.5 | 173.8 | 0 | 0 | 0 | 112.6 | I378 I382 P383 C473 L474 L480 H481 | I378-L477 HydrophobicContact CD1-CB 4.24Å; I382-L477 HydrophobicContact CG1-CD1 4.44Å; I382-L477 HydrophobicContact CG2-CD1 4.18Å; P383-L477 HydrophobicContact CG-CD2 3.82Å; C473-L477 WeakPolarHBondContact O-CG 3.12Å; C473-L477 PolarHBondContact O-N 3.14Å; L474-L477 PolarHBondContact O-N 3.38Å; L477-L480 PolarHBondContact O-N 3.39Å; L477-H481 PolarHBondContact O-N 3.14Å; L477-H481 VanDerWaalsContact O-N 3.09Å; L477-H481 PolarHBondContact O-ND1 2.82Å |
| 478 | T | 78.6 | Confident | 73.1 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | L374 L474 N475 Q476 L480 H481 T482 | L374-T478 VanDerWaalsContact CD2-OG1 3.26Å; L374-T478 WeakPolarHBondContact CD2-OG1 3.34Å; L474-T478 PolarHBondContact O-N 3.49Å; L474-T478 PolarHBondContact O-OG1 3.42Å; N475-T478 PolarHBondContact O-N 3.13Å; Q476-T478 VanDerWaalsContact C-N 3.3Å; Q476-T478 PolarHBondContact O-N 2.64Å; T478-L480 VanDerWaalsContact C-N 3.34Å; T478-L480 PolarHBondContact O-N 3.49Å; T478-H481 PolarHBondContact O-N 3.2Å; T478-T482 PolarHBondContact O-N 3Å; T478-T482 PolarHBondContact O-OG1 3.48Å |
| 479 | S | 75.2 | Confident | 70.2 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | N475 Q476 H481 T482 S483 | N475-S479 PolarHBondContact O-N 2.86Å; N475-S479 VanDerWaalsContact O-N 3.11Å; Q476-S479 PolarHBondContact O-N 3.22Å; Q476-S479 VanDerWaalsContact O-N 3.17Å; Q476-S479 PolarHBondContact O-OG 2.94Å; S479-H481 PolarHBondContact O-N 3.45Å; S479-T482 PolarHBondContact O-N 3.25Å; S479-S483 PolarHBondContact O-N 2.88Å; S479-S483 VanDerWaalsContact O-N 3.08Å; S479-S483 PolarHBondContact O-OG 3.23Å |
| 480 | L | 70.8 | Confident | 67.5 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 29% | 0.293 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 178.7 | -68.3 | 170.5 | 0 | 0 | 0 | 113 | Q476 L477 T478 Q484 D525 | Q476-L480 WeakPolarHBondContact O-CG 3.37Å; Q476-L480 PolarHBondContact O-N 3.38Å; L477-L480 PolarHBondContact O-N 3.39Å; T478-L480 VanDerWaalsContact C-N 3.34Å; T478-L480 PolarHBondContact O-N 3.49Å; L480-Q484 PolarHBondContact O-N 3.43Å; L480-D525 HydrophobicContact CD2-CB 4.26Å |
| 481 | H | 66.2 | Low | 64.6 | Low | 82 Ų | 82 | 84.2 Ų | 84.2 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.9 | -34.2 | 176 | -73.8 | 99.7 | 0 | 0 | 0 | 112.8 | L477 T478 S479 Q484 T485 | L477-H481 PolarHBondContact O-N 3.14Å; L477-H481 VanDerWaalsContact O-N 3.09Å; L477-H481 PolarHBondContact O-ND1 2.82Å; T478-H481 PolarHBondContact O-N 3.2Å; S479-H481 PolarHBondContact O-N 3.45Å; H481-Q484 PolarHBondContact O-N 2.91Å; H481-T485 PolarHBondContact O-N 3.36Å; H481-T485 PolarHBondContact O-OG1 3.45Å |
| 482 | T | 63 | Low | 61.7 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 177.1 | -49.9 | 0 | 0 | 0 | 0 | 110.2 | T478 S479 Q484 T485 D486 | T478-T482 PolarHBondContact O-N 3Å; T478-T482 PolarHBondContact O-OG1 3.48Å; S479-T482 PolarHBondContact O-N 3.25Å; T482-Q484 PolarHBondContact O-N 3.27Å; T482-T485 WeakPolarHBondContact CA-OG1 3.46Å; T482-T485 PolarHBondContact O-N 3.03Å; T482-T485 VanDerWaalsContact O-N 3.11Å; T482-T485 PolarHBondContact O-OG1 3.38Å; T482-D486 PolarHBondContact O-N 2.99Å |
| 483 | S | 53.4 | Low | 58.7 | Low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -24.7 | 175.4 | -49.5 | 0 | 0 | 0 | 0 | 114.3 | S479 | S479-S483 PolarHBondContact O-N 2.88Å; S479-S483 VanDerWaalsContact O-N 3.08Å; S479-S483 PolarHBondContact O-OG 3.23Å |
| 484 | Q | 50.7 | Low | 56 | Low | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.593 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -86 | -17.6 | 176.3 | -74.4 | -172.6 | 9.3 | 0 | 0 | 113.9 | L480 H481 T482 | L480-Q484 PolarHBondContact O-N 3.43Å; H481-Q484 PolarHBondContact O-N 2.91Å; T482-Q484 PolarHBondContact O-N 3.27Å |
| 485 | T | 48.9 | Very low | 53.1 | Low | 93 Ų | 93 | 113.5 Ų | 113.5 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -88.1 | -33.2 | -179.1 | 27.3 | 0 | 0 | 0 | 0 | 112.3 | H481 T482 G487 K488 | H481-T485 PolarHBondContact O-N 3.36Å; H481-T485 PolarHBondContact O-OG1 3.45Å; T482-T485 WeakPolarHBondContact CA-OG1 3.46Å; T482-T485 PolarHBondContact O-N 3.03Å; T482-T485 VanDerWaalsContact O-N 3.11Å; T482-T485 PolarHBondContact O-OG1 3.38Å; T485-G487 PolarHBondContact O-N 2.9Å; T485-K488 PolarHBondContact O-N 2.94Å |
| 486 | D | 40.9 | Very low | 50.6 | Low | 129 Ų | 129 | 114.6 Ų | 114.6 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -11.6 | 174 | -73 | -23.5 | 0 | 0 | 0 | 113.9 | T482 | T482-D486 PolarHBondContact O-N 2.99Š|
| 487 | G | 42.7 | Very low | 47.7 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T485 | T485-G487 PolarHBondContact O-N 2.9Š|
| 488 | K | 38.4 | Very low | 45.3 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -106.4 | 11.3 | -173.7 | -83.9 | -173.9 | 177 | 175.8 | 0 | 115.5 | T485 | T485-K488 PolarHBondContact O-N 2.94Š|
| 489 | D | 34 | Very low | 42.9 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -93.7 | 12.1 | 175.4 | -77.1 | -20.2 | 0 | 0 | 0 | 114.3 | ||
| 490 | F | 37.1 | Very low | 40.7 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -114.1 | 2.2 | 177.6 | -109.3 | -86.9 | 0 | 0 | 0 | 116.3 | ||
| 491 | E | 33.3 | Very low | 38.7 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -135.5 | 79.3 | 176.5 | -89.9 | -173.5 | 150.6 | 0 | 0 | 111.4 | ||||
| 492 | K | 30.4 | Very low | 36.9 | Very low | 215 Ų | 215 | 141.1 Ų | 141.1 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | -153 | 61.9 | 164.9 | -124.5 | 177.8 | -172 | 177.2 | 0 | 111.9 | ||||
| 493 | E | 28.8 | Very low | 35.2 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -144.5 | 82.8 | 164.1 | -151.2 | 174.2 | -153.3 | 0 | 0 | 110.5 | ||||
| 494 | L | 34.6 | Very low | 34 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 179.5 | 115.6 | 134.5 | -117.5 | 81.6 | 0 | 0 | 0 | 110.2 | ||||
| 495 | L | 29.9 | Very low | 33.1 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -79.8 | -177.7 | 165.8 | -82.2 | 161.7 | 0 | 0 | 0 | 110.3 | ||||
| 496 | P | 34.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | cis | -145.2 | 167.3 | 9 | 18.6 | 10.1 | 0 | 0 | 0 | 119 | ||||
| 497 | S | 26.4 | Very low | 31.3 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 12.7 | 141 | 145.5 | 65.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 498 | T | 32.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | -161.4 | 161 | 81.7 | 30.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 499 | A | 28.5 | Very low | 30 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -88.1 | 161.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 500 | E | 30.1 | Very low | 29.5 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | 175.5 | 154.9 | 121.5 | -95.3 | 176.6 | -169.9 | 0 | 0 | 114.5 | |||||
| 501 | Y | 29 | Very low | 28.9 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -63.1 | 163 | -177.1 | -73.9 | -105.8 | 0 | 0 | 0 | 113.5 | ||||
| 502 | S | 28.1 | Very low | 28.7 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 83% | 0.826 | S | S | * | * | cis | 179.1 | 145.2 | 45.2 | -119.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 503 | T | 26.6 | Very low | 28.4 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 40 | 128.8 | 139.8 | 61.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 504 | G | 29.3 | Very low | 28.2 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 163.9 | 88.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 505 | S | 30 | Very low | 27.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | 56.7 | 114.5 | 142.1 | -158 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 506 | E | 24.2 | Very low | 27.8 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 23 | 132.3 | 136.3 | -58.7 | -171.9 | 155 | 0 | 0 | 123.7 | ||||
| 507 | G | 28.8 | Very low | 27.3 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 158.5 | 66.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 508 | A | 27.1 | Very low | 27.4 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 55.6 | 123.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 509 | R | 26 | Very low | 27.2 | Very low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | 89 | 114.6 | 138.5 | -76.3 | 179.8 | 176.7 | 179.3 | 0.1 | 121.4 | ||||
| 510 | S | 24.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 83.2 | 101.3 | 135.9 | -160.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 511 | G | 24.8 | Very low | 27.2 | Very low | 60 Ų | 60 | 136.6 Ų | 136.6 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | 156.9 | 78.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 512 | Y | 28 | Very low | 27.5 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -134.5 | 84.2 | 159 | -76.7 | -72.1 | 0 | 0 | 0 | 109.9 | ||||
| 513 | Q | 24.5 | Very low | 28.6 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -94.9 | 134 | 144.2 | -107.6 | 174.1 | -22.9 | 0 | 0 | 107 | ||||
| 514 | N | 25.5 | Very low | 29.9 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | 65.3 | 113 | 162.5 | -61 | -21.8 | 0 | 0 | 0 | 117.6 | ||||
| 515 | V | 27 | Very low | 32 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | 179.7 | 138.4 | 117.2 | 155.3 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 516 | L | 28.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 89.1 | 55.9 | -178 | -65.8 | 150.2 | 0 | 0 | 0 | 117.2 | T518 | L516-T518 PolarHBondContact O-N 2.9Š| ||
| 517 | T | 24.8 | Very low | 37.6 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -68.6 | 100.7 | 136.1 | 44.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 518 | T | 26.9 | Very low | 40.4 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | -107.2 | 117 | 157.6 | -41.6 | 0 | 0 | 0 | 0 | 106.4 | L516 C520 | L516-T518 PolarHBondContact O-N 2.9Å; T518-C520 PolarHBondContact O-N 3.5Å; T518-C520 VanDerWaalsContact O-N 3.08Å | ||
| 519 | P | 29 | Very low | 43.5 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -74.6 | 101.5 | 174.2 | 30 | -27.6 | 0 | 0 | 0 | 106.8 | C521 | P519-C521 PolarHBondContact O-N 2.85Š| ||
| 520 | C | 30.7 | Very low | 46.6 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | trans | -72 | 76.1 | 165.8 | 45.6 | 0 | 0 | 0 | 0 | 108.9 | T518 N522 | T518-C520 PolarHBondContact O-N 3.5Å; T518-C520 VanDerWaalsContact O-N 3.08Å; C520-N522 PolarHBondContact O-N 3.01Å | ||
| 521 | C | 27.4 | Very low | 49.9 | Very low | 88 Ų | 88 | 111.6 Ų | 111.6 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | trans | -88.3 | 81.4 | 159.3 | -170.8 | 0 | 0 | 0 | 0 | 107.1 | P519 | P519-C521 PolarHBondContact O-N 2.85Š| ||
| 522 | N | 36.1 | Very low | 53.3 | Low | 138 Ų | 138 | 109 Ų | 109 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | trans | -128.3 | 46.4 | 164.3 | -87.7 | -1 | 0 | 0 | 0 | 109.2 | C520 | C520-N522 PolarHBondContact O-N 3.01Š| ||
| 523 | T | 50.7 | Low | 56.4 | Low | 76 Ų | 76 | 99.1 Ų | 99.1 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | trans | -105.2 | 33.4 | 172.4 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | D525 | T523-D525 PolarHBondContact O-N 2.65Š| ||
| 524 | L | 54.6 | Low | 59.7 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 79% | 0.791 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.2 | -173.3 | -88.1 | 156.9 | 0 | 0 | 0 | 114.3 | ||
| 525 | D | 72.1 | Confident | 63 | Low | 131 Ų | 131 | 89.7 Ų | 89.7 | 70% | 0.701 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 15.5 | -178.3 | -68.7 | -30.3 | 0 | 0 | 0 | 115 | L480 T523 V527 | L480-D525 HydrophobicContact CD2-CB 4.26Å; T523-D525 PolarHBondContact O-N 2.65Å; D525-V527 PolarHBondContact O-N 3.19Å |
| 526 | Y | 83.3 | Confident | 66.2 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 12% | 0.118 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 122.2 | 174.8 | -179.5 | -105.4 | 0 | 0 | 0 | 111.1 | P392 E395 Q476 H528 | P392-Y526 HydrophobicContact CB-CD2 4.34Å; P392-Y526 HydrophobicContact CB-CE1 4.18Å; P392-Y526 HydrophobicContact CB-CE2 3.79Å; P392-Y526 HydrophobicContact CG-CD1 3.83Å; P392-Y526 HydrophobicContact CG-CD2 3.61Å; P392-Y526 HydrophobicContact CG-CE1 3.79Å; P392-Y526 HydrophobicContact CG-CE2 3.56Å; P392-Y526 HydrophobicContact CG-CG 3.73Å; E395-Y526 WeakPolarHBondContact OE2-CE1 3.41Å; E395-Y526 VanDerWaalsContact OE2-CZ 3.28Å; E395-Y526 PolarHBondContact OE2-OH 3.28Å; Q476-Y526 VanDerWaalsContact OE1-CD2 3.32Å; Y526-H528 AromaticContact CE1-ND1 3.89Å |
| 527 | V | 88 | Confident | 69.4 | Low | 97 Ų | 97 | 79 Ų | 79 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 118.4 | 177.4 | -177 | 0 | 0 | 0 | 0 | 108.7 | Q476 D525 | Q476-V527 PolarHBondContact NE2-O 3Å; Q476-V527 VanDerWaalsContact OE1-N 3.15Å; Q476-V527 PolarHBondContact OE1-O 3.47Å; D525-V527 PolarHBondContact O-N 3.19Å |
| 528 | H | 88.6 | Confident | 72.7 | Confident | 93 Ų | 93 | 74 Ų | 74 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 150.2 | 175.5 | -75.6 | -62.8 | 0 | 0 | 0 | 113 | R390 E395 Y526 | R390-H528 PolarHBondContact O-CE1 3.36Å; E395-H528 WeakPolarHBondContact OE1-CA 3.37Å; E395-H528 WeakPolarHBondContact OE1-CB 3.35Å; E395-H528 IonicContact OE1-CG 3.87Å; E395-H528 IonicContact OE1-ND1 3.81Å; E395-H528 PolarHBondContact OE1-ND1 3.46Å; E395-H528 IonicContact OE2-ND1 2.73Å; Y526-H528 AromaticContact CE1-ND1 3.89Å |
| 529 | S | 91.4 | Very high | 75.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 135.3 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | E395 F531 | E395-S529 PolarHBondContact OE1-N 3.3Å; S529-F531 PolarHBondContact O-N 2.75Å; S529-F531 VanDerWaalsContact O-N 3.12Å; S529-F531 WeakPolarHBondContact OG-CB 3.37Å; S529-F531 PolarHBondContact OG-N 2.94Å |
| 530 | D | 92.3 | Very high | 79 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 60% | 0.599 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 3.2 | 173.7 | -68.5 | -40.1 | 0 | 0 | 0 | 113.6 | F532 S533 N534 | D530-F532 PolarHBondContact O-N 2.85Å; D530-S533 PolarHBondContact O-N 3.43Å; D530-N534 PolarHBondContact O-N 3.28Å |
| 531 | F | 94.4 | Very high | 81.8 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.044 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -45.4 | -56.5 | -178.1 | 174.1 | -94.2 | 0 | 0 | 0 | 112.2 | I399 A402 V403 M462 A465 S529 S533 N534 Q535 I558 | I399-F531 HydrophobicContact CB-CD1 4.38Å; I399-F531 HydrophobicContact CD1-CB 3.9Å; I399-F531 HydrophobicContact CD1-CD1 4.34Å; I399-F531 HydrophobicContact CD1-CG 4.23Å; I399-F531 HydrophobicContact CG1-CB 4.41Å; I399-F531 HydrophobicContact CG1-CD1 3.9Å; I399-F531 HydrophobicContact CG1-CG 4.25Å; I399-F531 HydrophobicContact CG2-CD1 3.81Å; I399-F531 HydrophobicContact CG2-CD2 3.95Å; I399-F531 HydrophobicContact CG2-CE1 3.91Å; I399-F531 HydrophobicContact CG2-CE2 4.03Å; I399-F531 HydrophobicContact CG2-CG 3.84Å; I399-F531 HydrophobicContact CG2-CZ 4.02Å; A402-F531 HydrophobicContact CB-CE1 4.21Å; V403-F531 HydrophobicContact CG2-CE2 3.9Å; V403-F531 HydrophobicContact CG2-CZ 3.74Å; M462-F531 HydrophobicContact CE-CE2 4.26Å; M462-F531 HydrophobicContact CE-CZ 4.06Å; A465-F531 HydrophobicContact CB-CE2 4.06Å; S529-F531 PolarHBondContact O-N 2.75Å; S529-F531 VanDerWaalsContact O-N 3.12Å; S529-F531 WeakPolarHBondContact OG-CB 3.37Å; S529-F531 PolarHBondContact OG-N 2.94Å; F531-S533 PolarHBondContact O-N 3.3Å; F531-N534 PolarHBondContact O-N 3.37Å; F531-Q535 HydrophobicContact CD1-CG 4.43Å; F531-Q535 HydrophobicContact CD2-CG 4.39Å; F531-Q535 HydrophobicContact CE1-CG 4.11Å; F531-Q535 HydrophobicContact CE2-CG 4.07Å; F531-Q535 HydrophobicContact CZ-CG 3.92Å; F531-Q535 VanDerWaalsContact O-CG 3.24Å; F531-Q535 WeakPolarHBondContact O-CG 3.41Å; F531-Q535 PolarHBondContact O-N 2.93Å; F531-I558 HydrophobicContact CE1-CG2 4.27Å; F531-I558 HydrophobicContact CZ-CD1 4.24Å |
| 532 | F | 94.6 | Very high | 85 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | -176.9 | -68.5 | -66.2 | 0 | 0 | 0 | 112.5 | W398 I399 A402 D530 Q535 L536 I558 Q561 V562 | W398-F532 AromaticContact CD2-CE2 3.68Å; W398-F532 HydrophobicContact CD2-CE2 3.68Å; W398-F532 AromaticContact CD2-CZ 3.59Å; W398-F532 HydrophobicContact CD2-CZ 3.59Å; W398-F532 AromaticContact CE2-CE2 3.86Å; W398-F532 AromaticContact CE2-CZ 3.5Å; W398-F532 VanDerWaalsContact CE2-CZ 3.5Å; W398-F532 HydrophobicContact CE3-CD2 4.47Å; W398-F532 AromaticContact CE3-CE2 3.52Å; W398-F532 HydrophobicContact CE3-CE2 3.52Å; W398-F532 AromaticContact CE3-CZ 3.96Å; W398-F532 HydrophobicContact CE3-CZ 3.96Å; W398-F532 HydrophobicContact CG-CE2 4.4Å; W398-F532 HydrophobicContact CG-CZ 4Å; W398-F532 HydrophobicContact CH2-CD2 4.02Å; W398-F532 AromaticContact CH2-CE2 3.66Å; W398-F532 HydrophobicContact CH2-CE2 3.66Å; W398-F532 HydrophobicContact CH2-CZ 4.06Å; W398-F532 HydrophobicContact CZ2-CD2 4.47Å; W398-F532 HydrophobicContact CZ2-CE1 4.29Å; W398-F532 AromaticContact CZ2-CE2 3.88Å; W398-F532 HydrophobicContact CZ2-CE2 3.88Å; W398-F532 AromaticContact CZ2-CZ 3.77Å; W398-F532 HydrophobicContact CZ2-CZ 3.77Å; W398-F532 HydrophobicContact CZ3-CD2 4.06Å; W398-F532 AromaticContact CZ3-CE2 3.52Å; W398-F532 HydrophobicContact CZ3-CE2 3.52Å; W398-F532 HydrophobicContact CZ3-CZ 4.19Å; W398-F532 AromaticContact NE1-CZ 3.85Å; I399-F532 HydrophobicContact CG1-CE2 3.76Å; I399-F532 HydrophobicContact CG1-CZ 3.98Å; A402-F532 HydrophobicContact CB-CE1 4.05Å; A402-F532 HydrophobicContact CB-CZ 4.48Å; D530-F532 PolarHBondContact O-N 2.85Å; F532-Q535 PolarHBondContact O-N 2.92Å; F532-L536 VanDerWaalsContact O-CG 3.31Å; F532-L536 WeakPolarHBondContact O-CG 3.29Å; F532-L536 PolarHBondContact O-N 3.49Å; F532-I558 HydrophobicContact CD1-CG2 3.92Å; F532-I558 HydrophobicContact CE1-CG2 4.21Å; F532-Q561 HydrophobicContact CE1-CB 4.41Å; F532-V562 HydrophobicContact CB-CG2 4.01Å; F532-V562 HydrophobicContact CD1-CG2 3.36Å; F532-V562 HydrophobicContact CE1-CG2 4.1Å; F532-V562 HydrophobicContact CG-CG2 3.95Å |
| 533 | S | 93 | Very high | 87.4 | Confident | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.4 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | D530 F531 L536 T537 | D530-S533 PolarHBondContact O-N 3.43Å; F531-S533 PolarHBondContact O-N 3.3Å; S533-L536 PolarHBondContact O-N 3.2Å; S533-T537 PolarHBondContact O-N 3.46Å; S533-T537 PolarHBondContact O-OG1 3.36Å |
| 534 | N | 94.4 | Very high | 89.1 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178 | -68.3 | -15.4 | 0 | 0 | 0 | 111.4 | D530 F531 T537 A538 | D530-N534 PolarHBondContact O-N 3.28Å; F531-N534 PolarHBondContact O-N 3.37Å; N534-T537 PolarHBondContact O-N 2.93Å; N534-A538 PolarHBondContact O-N 3.03Å |
| 535 | Q | 95.1 | Very high | 90.3 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 177.9 | -62.6 | -57.6 | -38.5 | 0 | 0 | 112.7 | F531 F532 T537 A538 F539 Q555 I558 | F531-Q535 HydrophobicContact CD1-CG 4.43Å; F531-Q535 HydrophobicContact CD2-CG 4.39Å; F531-Q535 HydrophobicContact CE1-CG 4.11Å; F531-Q535 HydrophobicContact CE2-CG 4.07Å; F531-Q535 HydrophobicContact CZ-CG 3.92Å; F531-Q535 VanDerWaalsContact O-CG 3.24Å; F531-Q535 WeakPolarHBondContact O-CG 3.41Å; F531-Q535 PolarHBondContact O-N 2.93Å; F532-Q535 PolarHBondContact O-N 2.92Å; Q535-T537 VanDerWaalsContact C-N 3.3Å; Q535-T537 PolarHBondContact O-N 3.48Å; Q535-A538 PolarHBondContact O-N 3.39Å; Q535-F539 PolarHBondContact O-N 3.26Å; Q535-Q555 HydrophobicContact CB-CG 4.34Å; Q535-I558 HydrophobicContact CB-CD1 3.93Å; Q535-I558 HydrophobicContact CB-CG2 3.87Å; Q535-I558 HydrophobicContact CG-CD1 3.65Å; Q535-I558 HydrophobicContact CG-CG2 4.28Å |
| 536 | L | 94.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 171.8 | -69.5 | -177.8 | 0 | 0 | 0 | 111.7 | F532 S533 F539 E540 L559 V562 H568 R571 A572 L575 | F532-L536 VanDerWaalsContact O-CG 3.31Å; F532-L536 WeakPolarHBondContact O-CG 3.29Å; F532-L536 PolarHBondContact O-N 3.49Å; S533-L536 PolarHBondContact O-N 3.2Å; L536-F539 WeakPolarHBondContact O-CB 3.47Å; L536-F539 PolarHBondContact O-N 3.03Å; L536-E540 WeakPolarHBondContact O-CB 3.44Å; L536-E540 PolarHBondContact O-N 3.04Å; L536-L559 HydrophobicContact CD2-CD1 3.45Å; L536-L559 VanDerWaalsContact CD2-CD1 3.45Å; L536-V562 HydrophobicContact CD1-CG1 4.23Å; L536-V562 HydrophobicContact CD2-CG1 4.44Å; L536-V562 HydrophobicContact CD2-CG2 4.31Å; L536-H568 HydrophobicContact CD1-CB 3.97Å; L536-R571 HydrophobicContact CD1-CB 4.49Å; L536-R571 HydrophobicContact CD1-CG 4.27Å; L536-A572 HydrophobicContact CD2-CB 4.15Å; L536-L575 HydrophobicContact CB-CD1 3.94Å; L536-L575 HydrophobicContact CD2-CD1 4.09Å; L536-L575 HydrophobicContact CG-CD1 4.48Å |
| 537 | T | 95.4 | Very high | 89.3 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 177.1 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | S533 N534 Q535 F539 E540 V541 R571 | S533-T537 PolarHBondContact O-N 3.46Å; S533-T537 PolarHBondContact O-OG1 3.36Å; N534-T537 PolarHBondContact O-N 2.93Å; Q535-T537 VanDerWaalsContact C-N 3.3Å; Q535-T537 PolarHBondContact O-N 3.48Å; T537-F539 VanDerWaalsContact C-N 3.33Å; T537-F539 PolarHBondContact O-N 2.88Å; T537-E540 WeakPolarHBondContact O-CB 2.87Å; T537-E540 PolarHBondContact O-N 2.89Å; T537-V541 WeakPolarHBondContact O-CG2 3.48Å; T537-V541 PolarHBondContact O-N 3.41Å; T537-R571 PolarHBondContact OG1-NH2 3.1Å |
| 538 | A | 93.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N534 Q535 E540 V541 W542 Q555 | N534-A538 PolarHBondContact O-N 3.03Å; Q535-A538 PolarHBondContact O-N 3.39Å; A538-E540 VanDerWaalsContact C-N 3.35Å; A538-V541 PolarHBondContact O-N 3Å; A538-W542 PolarHBondContact O-N 3.14Å; A538-Q555 HydrophobicContact CB-CG 4.31Å |
| 539 | F | 94.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.7 | -172.3 | -102.4 | 0 | 0 | 0 | 112.3 | Q535 L536 T537 W542 L543 P553 Q555 L556 L559 L575 F579 | Q535-F539 PolarHBondContact O-N 3.26Å; L536-F539 WeakPolarHBondContact O-CB 3.47Å; L536-F539 PolarHBondContact O-N 3.03Å; T537-F539 VanDerWaalsContact C-N 3.33Å; T537-F539 PolarHBondContact O-N 2.88Å; F539-W542 WeakPolarHBondContact O-CB 3.42Å; F539-W542 PolarHBondContact O-N 3.3Å; F539-L543 HydrophobicContact CD1-CD1 3.98Å; F539-L543 HydrophobicContact CD1-CG 4.38Å; F539-L543 HydrophobicContact CE1-CD1 3.79Å; F539-L543 HydrophobicContact CE1-CG 4.19Å; F539-L543 WeakPolarHBondContact O-CG 3.16Å; F539-L543 PolarHBondContact O-N 3.31Å; F539-P553 HydrophobicContact CD2-CB 3.79Å; F539-P553 HydrophobicContact CD2-CG 4.23Å; F539-P553 HydrophobicContact CE2-CB 3.59Å; F539-P553 HydrophobicContact CE2-CG 3.5Å; F539-P553 VanDerWaalsContact CE2-CG 3.5Å; F539-P553 HydrophobicContact CZ-CG 4.38Å; F539-Q555 HydrophobicContact CB-CB 4.01Å; F539-Q555 HydrophobicContact CD2-CB 4.03Å; F539-Q555 HydrophobicContact CG-CB 4.46Å; F539-L556 HydrophobicContact CE2-CD1 4.23Å; F539-L556 HydrophobicContact CZ-CD1 4.32Å; F539-L559 HydrophobicContact CE1-CD2 3.9Å; F539-L559 HydrophobicContact CZ-CD2 3.9Å; F539-L575 HydrophobicContact CD1-CB 3.87Å; F539-L575 HydrophobicContact CD1-CD1 4.34Å; F539-L575 HydrophobicContact CE1-CB 3.98Å; F539-F579 HydrophobicContact CE1-CB 4.06Å; F539-F579 HydrophobicContact CZ-CB 3.7Å; F539-F579 HydrophobicContact CZ-CD1 4.31Å; F539-F579 HydrophobicContact CZ-CD2 4.07Å; F539-F579 AromaticContact CZ-CG 3.76Å; F539-F579 HydrophobicContact CZ-CG 3.76Å |
| 540 | E | 93.2 | Very high | 86.5 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.9 | -176 | 167 | -159.9 | 0 | 0 | 112.4 | L536 T537 A538 W542 L543 C544 R571 L575 R578 | L536-E540 WeakPolarHBondContact O-CB 3.44Å; L536-E540 PolarHBondContact O-N 3.04Å; T537-E540 WeakPolarHBondContact O-CB 2.87Å; T537-E540 PolarHBondContact O-N 2.89Å; A538-E540 VanDerWaalsContact C-N 3.35Å; E540-W542 VanDerWaalsContact C-N 3.3Å; E540-W542 PolarHBondContact O-N 3.24Å; E540-L543 WeakPolarHBondContact O-CB 3.37Å; E540-L543 PolarHBondContact O-N 3.34Å; E540-C544 PolarHBondContact O-N 3.17Å; E540-C544 PolarHBondContact O-SG 2.67Å; E540-R571 IonicContact OE2-CZ 2.79Å; E540-R571 IonicContact OE2-NE 3.46Å; E540-R571 IonicContact OE2-NH2 2.67Å; E540-R571 PolarHBondContact OE2-NH2 3.16Å; E540-L575 HydrophobicContact CB-CD2 3.77Å; E540-L575 HydrophobicContact CG-CD2 3.95Å; E540-R578 IonicContact OE1-NH1 2.97Å |
| 541 | V | 91.3 | Very high | 85.8 | Confident | 81 Ų | 81 | 61 Ų | 61 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 173 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | T537 A538 L543 C544 Y545 | T537-V541 WeakPolarHBondContact O-CG2 3.48Å; T537-V541 PolarHBondContact O-N 3.41Å; A538-V541 PolarHBondContact O-N 3Å; V541-L543 VanDerWaalsContact C-N 3.32Å; V541-L543 PolarHBondContact O-N 3.1Å; V541-C544 PolarHBondContact O-N 3.43Å; V541-C544 VanDerWaalsContact O-N 3.16Å; V541-Y545 HydrophobicContact CG1-CD2 4.14Å; V541-Y545 WeakPolarHBondContact O-CD2 3.35Å; V541-Y545 PolarHBondContact O-N 3.34Å |
| 542 | W | 92.6 | Very high | 85.2 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.6 | -177 | 93.2 | 0 | 0 | 0 | 111.9 | A538 F539 E540 C544 Y545 G546 F547 S551 P553 F579 L582 W585 | A538-W542 PolarHBondContact O-N 3.14Å; F539-W542 WeakPolarHBondContact O-CB 3.42Å; F539-W542 PolarHBondContact O-N 3.3Å; E540-W542 VanDerWaalsContact C-N 3.3Å; E540-W542 PolarHBondContact O-N 3.24Å; W542-C544 VanDerWaalsContact C-N 3.26Å; W542-C544 PolarHBondContact O-N 3.2Å; W542-Y545 PolarHBondContact O-N 3.17Å; W542-G546 VanDerWaalsContact O-CA 3.29Å; W542-G546 WeakPolarHBondContact O-CA 3.29Å; W542-G546 PolarHBondContact O-N 3.35Å; W542-F547 HydrophobicContact CH2-CB 3.93Å; W542-F547 HydrophobicContact CZ2-CB 4.41Å; W542-F547 HydrophobicContact CZ3-CB 4.31Å; W542-S551 WeakPolarHBondContact CZ2-O 3.18Å; W542-P553 HydrophobicContact CD2-CB 3.66Å; W542-P553 HydrophobicContact CD2-CG 4.26Å; W542-P553 HydrophobicContact CE3-CB 3.84Å; W542-P553 HydrophobicContact CE3-CG 4.04Å; W542-P553 HydrophobicContact CG-CB 4.08Å; W542-P553 HydrophobicContact CH2-CG 4.21Å; W542-P553 HydrophobicContact CZ2-CB 4.4Å; W542-P553 HydrophobicContact CZ2-CG 4.37Å; W542-P553 HydrophobicContact CZ3-CB 4.3Å; W542-P553 HydrophobicContact CZ3-CG 4.02Å; W542-F579 HydrophobicContact CH2-CD2 4.28Å; W542-F579 AromaticContact CH2-CE2 3.81Å; W542-F579 HydrophobicContact CH2-CE2 3.81Å; W542-F579 AromaticContact CZ3-CD2 3.69Å; W542-F579 HydrophobicContact CZ3-CD2 3.69Å; W542-F579 AromaticContact CZ3-CE2 3.67Å; W542-F579 HydrophobicContact CZ3-CE2 3.67Å; W542-L582 HydrophobicContact CH2-CD1 4.08Å; W542-L582 HydrophobicContact CZ3-CD1 3.87Å; W542-W585 AromaticContact CH2-CH2 3.86Å; W542-W585 HydrophobicContact CH2-CH2 3.86Å; W542-W585 HydrophobicContact CH2-CZ2 4.49Å; W542-W585 HydrophobicContact CZ2-CH2 4.41Å |
| 543 | L | 88.3 | Confident | 85 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -29.9 | 175.2 | -72.4 | 170.4 | 0 | 0 | 0 | 113.1 | F539 E540 V541 F547 L575 R578 F579 L582 | F539-L543 HydrophobicContact CD1-CD1 3.98Å; F539-L543 HydrophobicContact CD1-CG 4.38Å; F539-L543 HydrophobicContact CE1-CD1 3.79Å; F539-L543 HydrophobicContact CE1-CG 4.19Å; F539-L543 WeakPolarHBondContact O-CG 3.16Å; F539-L543 PolarHBondContact O-N 3.31Å; E540-L543 WeakPolarHBondContact O-CB 3.37Å; E540-L543 PolarHBondContact O-N 3.34Å; V541-L543 VanDerWaalsContact C-N 3.32Å; V541-L543 PolarHBondContact O-N 3.1Å; L543-F547 VanDerWaalsContact O-CD1 3.27Å; L543-F547 WeakPolarHBondContact O-CD1 3.42Å; L543-L575 HydrophobicContact CD1-CD2 3.98Å; L543-R578 HydrophobicContact CD1-CB 3.9Å; L543-F579 HydrophobicContact CD2-CB 3.95Å; L543-F579 HydrophobicContact CD2-CD2 4.04Å; L543-L582 HydrophobicContact CD2-CD1 4.01Å |
| 544 | C | 85.2 | Confident | 84.9 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.9 | -33.2 | 179.8 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | E540 V541 W542 | E540-C544 PolarHBondContact O-N 3.17Å; E540-C544 PolarHBondContact O-SG 2.67Å; V541-C544 PolarHBondContact O-N 3.43Å; V541-C544 VanDerWaalsContact O-N 3.16Å; W542-C544 VanDerWaalsContact C-N 3.26Å; W542-C544 PolarHBondContact O-N 3.2Å |
| 545 | Y | 79.9 | Confident | 84.8 | Confident | 183 Ų | 183 | 60.7 Ų | 60.7 | 72% | 0.718 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -131.9 | -21.2 | -169 | -55.6 | -74.6 | 0 | 0 | 0 | 115.2 | V541 W542 | V541-Y545 HydrophobicContact CG1-CD2 4.14Å; V541-Y545 WeakPolarHBondContact O-CD2 3.35Å; V541-Y545 PolarHBondContact O-N 3.34Å; W542-Y545 PolarHBondContact O-N 3.17Å |
| 546 | G | 64.8 | Low | 84.7 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -11.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | W542 H548 | W542-G546 VanDerWaalsContact O-CA 3.29Å; W542-G546 WeakPolarHBondContact O-CA 3.29Å; W542-G546 PolarHBondContact O-N 3.35Å; G546-H548 PolarHBondContact O-N 3.06Å |
| 547 | F | 70.7 | Confident | 84.6 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -76 | -21.7 | -169.5 | 70.6 | -88.4 | 0 | 0 | 0 | 114.4 | W542 L543 N549 R550 L582 | W542-F547 HydrophobicContact CH2-CB 3.93Å; W542-F547 HydrophobicContact CZ2-CB 4.41Å; W542-F547 HydrophobicContact CZ3-CB 4.31Å; L543-F547 VanDerWaalsContact O-CD1 3.27Å; L543-F547 WeakPolarHBondContact O-CD1 3.42Å; F547-N549 PolarHBondContact O-N 3.26Å; F547-N549 VanDerWaalsContact O-N 3.15Å; F547-R550 PolarHBondContact O-N 3.17Å; F547-L582 HydrophobicContact CB-CD1 3.91Å; F547-L582 HydrophobicContact CB-CD2 4.39Å; F547-L582 HydrophobicContact CD2-CD2 4.29Å; F547-L582 HydrophobicContact CG-CD2 4.26Å |
| 548 | H | 68.5 | Low | 84.6 | Confident | 136 Ų | 136 | 56.6 Ų | 56.6 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.1 | -178.2 | -61 | -66.5 | 0 | 0 | 0 | 113.2 | G546 R550 | G546-H548 PolarHBondContact O-N 3.06Å; H548-R550 VanDerWaalsContact C-N 3.33Å; H548-R550 PolarHBondContact O-N 2.98Å |
| 549 | N | 68.9 | Low | 84.5 | Confident | 141 Ų | 141 | 55.1 Ų | 55.1 | 75% | 0.754 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -84.7 | -3.1 | 179.9 | -69.7 | -17.5 | 0 | 0 | 0 | 113.8 | F547 S551 | F547-N549 PolarHBondContact O-N 3.26Å; F547-N549 VanDerWaalsContact O-N 3.15Å; N549-S551 PolarHBondContact O-N 2.74Å |
| 550 | R | 71.4 | Confident | 84.3 | Confident | 160 Ų | 160 | 55.1 Ų | 55.1 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | trans | 48.9 | 19.4 | -174.2 | -57.5 | -174.6 | -176.8 | -168.1 | -0.4 | 114.7 | F547 H548 | F547-R550 PolarHBondContact O-N 3.17Å; H548-R550 VanDerWaalsContact C-N 3.33Å; H548-R550 PolarHBondContact O-N 2.98Å | ||
| 551 | S | 76.8 | Confident | 84.2 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 133.3 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | W542 N549 | W542-S551 WeakPolarHBondContact CZ2-O 3.18Å; N549-S551 PolarHBondContact O-N 2.74Å |
| 552 | P | 82.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 134.7 | -176 | 24.3 | -33.3 | 0 | 0 | 0 | 111.2 | Q554 L589 | P552-Q554 PolarHBondContact O-N 3.39Å; P552-L589 HydrophobicContact CB-CD1 4.05Å; P552-L589 HydrophobicContact CB-CD2 4.46Å |
| 553 | P | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 130 | 177.8 | 18.7 | -26.2 | 0 | 0 | 0 | 111.2 | F539 W542 Q555 L556 F579 | F539-P553 HydrophobicContact CD2-CB 3.79Å; F539-P553 HydrophobicContact CD2-CG 4.23Å; F539-P553 HydrophobicContact CE2-CB 3.59Å; F539-P553 HydrophobicContact CE2-CG 3.5Å; F539-P553 VanDerWaalsContact CE2-CG 3.5Å; F539-P553 HydrophobicContact CZ-CG 4.38Å; W542-P553 HydrophobicContact CD2-CB 3.66Å; W542-P553 HydrophobicContact CD2-CG 4.26Å; W542-P553 HydrophobicContact CE3-CB 3.84Å; W542-P553 HydrophobicContact CE3-CG 4.04Å; W542-P553 HydrophobicContact CG-CB 4.08Å; W542-P553 HydrophobicContact CH2-CG 4.21Å; W542-P553 HydrophobicContact CZ2-CB 4.4Å; W542-P553 HydrophobicContact CZ2-CG 4.37Å; W542-P553 HydrophobicContact CZ3-CB 4.3Å; W542-P553 HydrophobicContact CZ3-CG 4.02Å; P553-Q555 PolarHBondContact O-N 3.46Å; P553-Q555 VanDerWaalsContact O-N 3.16Å; P553-L556 HydrophobicContact CG-CB 4.26Å; P553-L556 WeakPolarHBondContact O-CB 3.43Å; P553-L556 PolarHBondContact O-N 3.15Å; P553-L556 VanDerWaalsContact O-N 3.15Å; P553-F579 HydrophobicContact CG-CD2 4.23Å; P553-F579 HydrophobicContact CG-CE2 3.62Å; P553-F579 HydrophobicContact CG-CZ 3.83Å |
| 554 | Q | 90.4 | Very high | 83.9 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36.9 | -178.9 | -178.7 | -179.2 | -2.4 | 0 | 0 | 112.1 | T406 N410 M462 P552 L556 P557 | T406-Q554 HydrophobicContact CG2-CG 3.95Å; T406-Q554 WeakPolarHBondContact CG2-O 3.34Å; N410-Q554 WeakPolarHBondContact ND2-CG 3.38Å; N410-Q554 PolarHBondContact ND2-O 2.87Å; N410-Q554 WeakPolarHBondContact OD1-CA 3.45Å; M462-Q554 PolarHBondContact SD-NE2 3.37Å; P552-Q554 PolarHBondContact O-N 3.39Å; Q554-L556 VanDerWaalsContact C-N 3.28Å; Q554-L556 PolarHBondContact O-N 3.01Å; Q554-P557 WeakPolarHBondContact O-CD 3.28Å |
| 555 | Q | 93.7 | Very high | 83.8 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1 | -174.2 | -62.9 | 74.1 | 19.2 | 0 | 0 | 114 | Q535 A538 F539 P553 I558 L559 | Q535-Q555 HydrophobicContact CB-CG 4.34Å; A538-Q555 HydrophobicContact CB-CG 4.31Å; F539-Q555 HydrophobicContact CB-CB 4.01Å; F539-Q555 HydrophobicContact CD2-CB 4.03Å; F539-Q555 HydrophobicContact CG-CB 4.46Å; P553-Q555 PolarHBondContact O-N 3.46Å; P553-Q555 VanDerWaalsContact O-N 3.16Å; Q555-I558 HydrophobicContact CB-CD1 4.39Å; Q555-I558 HydrophobicContact CG-CD1 4.28Å; Q555-I558 WeakPolarHBondContact O-CA 3.01Å; Q555-I558 VanDerWaalsContact O-CB 3.28Å; Q555-I558 WeakPolarHBondContact O-CB 3.44Å; Q555-I558 PolarHBondContact O-N 3.19Å; Q555-L559 PolarHBondContact O-N 3.45Å |
| 556 | L | 92 | Very high | 83.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -42.1 | -175.7 | -167.7 | 61.5 | 0 | 0 | 0 | 113.8 | F539 P553 Q554 I558 L559 L560 F579 L589 V593 | F539-L556 HydrophobicContact CE2-CD1 4.23Å; F539-L556 HydrophobicContact CZ-CD1 4.32Å; P553-L556 HydrophobicContact CG-CB 4.26Å; P553-L556 WeakPolarHBondContact O-CB 3.43Å; P553-L556 PolarHBondContact O-N 3.15Å; P553-L556 VanDerWaalsContact O-N 3.15Å; Q554-L556 VanDerWaalsContact C-N 3.28Å; Q554-L556 PolarHBondContact O-N 3.01Å; L556-I558 VanDerWaalsContact C-N 3.3Å; L556-I558 PolarHBondContact O-N 3.31Å; L556-L559 HydrophobicContact CD1-CD2 4.34Å; L556-L559 WeakPolarHBondContact O-CB 3.42Å; L556-L559 PolarHBondContact O-N 3.49Å; L556-L560 PolarHBondContact O-N 3.32Å; L556-F579 HydrophobicContact CD1-CD1 3.88Å; L556-F579 HydrophobicContact CD1-CE1 3.7Å; L556-F579 HydrophobicContact CD1-CZ 4.47Å; L556-F579 HydrophobicContact CD2-CE1 3.91Å; L556-F579 HydrophobicContact CD2-CZ 4.25Å; L556-F579 HydrophobicContact CG-CE1 4.48Å; L556-L589 HydrophobicContact CD2-CB 4.14Å; L556-V593 HydrophobicContact CB-CG2 4.38Å; L556-V593 HydrophobicContact CD2-CB 4.47Å; L556-V593 HydrophobicContact CD2-CG2 3.62Å; L556-V593 HydrophobicContact CG-CB 4.39Å; L556-V593 HydrophobicContact CG-CG2 3.82Å |
| 557 | P | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.9 | -29.5 | 172.9 | -21.3 | 35.6 | 0 | 0 | 0 | 113.6 | D405 W409 Q554 L559 L560 Q561 V593 | D405-P557 HydrophobicContact CB-CB 4.27Å; W409-P557 HydrophobicContact CB-CG 3.43Å; W409-P557 VanDerWaalsContact CB-CG 3.43Å; W409-P557 HydrophobicContact CD2-CG 4.36Å; W409-P557 HydrophobicContact CG-CG 3.5Å; W409-P557 VanDerWaalsContact CG-CG 3.5Å; Q554-P557 WeakPolarHBondContact O-CD 3.28Å; P557-L559 VanDerWaalsContact C-N 3.35Å; P557-L560 WeakPolarHBondContact O-CB 3.25Å; P557-L560 PolarHBondContact O-N 2.92Å; P557-Q561 PolarHBondContact O-N 3.29Å; P557-V593 HydrophobicContact CB-CG1 4.3Å; P557-V593 HydrophobicContact CG-CG1 4.35Å |
| 558 | I | 94.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.4 | -52.5 | -179.3 | 0 | 0 | 0 | 109.6 | T406 M462 F531 F532 Q535 Q555 L556 L560 Q561 V562 | T406-I558 HydrophobicContact CG2-CD1 4.38Å; T406-I558 HydrophobicContact CG2-CG1 4.43Å; T406-I558 WeakPolarHBondContact OG1-CG1 3.29Å; M462-I558 HydrophobicContact CE-CD1 3.59Å; F531-I558 HydrophobicContact CE1-CG2 4.27Å; F531-I558 HydrophobicContact CZ-CD1 4.24Å; F532-I558 HydrophobicContact CD1-CG2 3.92Å; F532-I558 HydrophobicContact CE1-CG2 4.21Å; Q535-I558 HydrophobicContact CB-CD1 3.93Å; Q535-I558 HydrophobicContact CB-CG2 3.87Å; Q535-I558 HydrophobicContact CG-CD1 3.65Å; Q535-I558 HydrophobicContact CG-CG2 4.28Å; Q555-I558 HydrophobicContact CB-CD1 4.39Å; Q555-I558 HydrophobicContact CG-CD1 4.28Å; Q555-I558 WeakPolarHBondContact O-CA 3.01Å; Q555-I558 VanDerWaalsContact O-CB 3.28Å; Q555-I558 WeakPolarHBondContact O-CB 3.44Å; Q555-I558 PolarHBondContact O-N 3.19Å; L556-I558 VanDerWaalsContact C-N 3.3Å; L556-I558 PolarHBondContact O-N 3.31Å; I558-L560 VanDerWaalsContact C-N 3.26Å; I558-L560 PolarHBondContact O-N 3.27Å; I558-Q561 CarbonylContact O-C 3.49Å; I558-Q561 WeakPolarHBondContact O-CA 3.49Å; I558-Q561 WeakPolarHBondContact O-CB 3.36Å; I558-Q561 PolarHBondContact O-N 2.91Å; I558-V562 HydrophobicContact CG2-CG2 4.28Å; I558-V562 WeakPolarHBondContact O-CG2 3.44Å; I558-V562 PolarHBondContact O-N 2.97Å |
| 559 | L | 92.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -45.7 | 175.7 | -162 | 68 | 0 | 0 | 0 | 110.8 | L536 F539 Q555 L556 P557 Q561 V562 L563 A572 L575 L576 | L536-L559 HydrophobicContact CD2-CD1 3.45Å; L536-L559 VanDerWaalsContact CD2-CD1 3.45Å; F539-L559 HydrophobicContact CE1-CD2 3.9Å; F539-L559 HydrophobicContact CZ-CD2 3.9Å; Q555-L559 PolarHBondContact O-N 3.45Å; L556-L559 HydrophobicContact CD1-CD2 4.34Å; L556-L559 WeakPolarHBondContact O-CB 3.42Å; L556-L559 PolarHBondContact O-N 3.49Å; P557-L559 VanDerWaalsContact C-N 3.35Å; L559-Q561 VanDerWaalsContact C-N 3.32Å; L559-Q561 PolarHBondContact O-N 3.09Å; L559-V562 PolarHBondContact O-N 3.46Å; L559-V562 VanDerWaalsContact O-N 3.13Å; L559-L563 WeakPolarHBondContact O-CG 3.37Å; L559-L563 PolarHBondContact O-N 3.48Å; L559-A572 HydrophobicContact CD1-CB 3.84Å; L559-L575 HydrophobicContact CD1-CB 4.43Å; L559-L576 HydrophobicContact CD2-CB 3.83Å; L559-L576 HydrophobicContact CD2-CD1 4Å; L559-L576 HydrophobicContact CD2-CG 4.45Å |
| 560 | L | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57 | -43 | 173.6 | 179.4 | 154.6 | 0 | 0 | 0 | 112.4 | L556 P557 I558 V562 L563 V593 G594 I595 Y598 | L556-L560 PolarHBondContact O-N 3.32Å; P557-L560 WeakPolarHBondContact O-CB 3.25Å; P557-L560 PolarHBondContact O-N 2.92Å; I558-L560 VanDerWaalsContact C-N 3.26Å; I558-L560 PolarHBondContact O-N 3.27Å; L560-V562 VanDerWaalsContact C-N 3.34Å; L560-L563 PolarHBondContact O-N 3.34Å; L560-V593 HydrophobicContact CB-CG1 4.21Å; L560-V593 HydrophobicContact CD1-CG1 3.81Å; L560-V593 WeakPolarHBondContact CD1-O 3.31Å; L560-G594 VanDerWaalsContact CD1-C 3.47Å; L560-G594 WeakPolarHBondContact CD1-O 3.36Å; L560-I595 HydrophobicContact CB-CG2 4.5Å; L560-I595 HydrophobicContact CD1-CG2 4.34Å; L560-Y598 HydrophobicContact CD1-CD2 4.13Å; L560-Y598 HydrophobicContact CD1-CE2 3.78Å; L560-Y598 HydrophobicContact CD2-CD2 4.38Å; L560-Y598 HydrophobicContact CD2-CE2 3.74Å; L560-Y598 HydrophobicContact CG-CD2 3.98Å; L560-Y598 HydrophobicContact CG-CE2 3.76Å |
| 561 | Q | 91.5 | Very high | 89 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 177.5 | -64.8 | -59.6 | -29.2 | 0 | 0 | 112.2 | W398 A402 F532 P557 I558 L559 L564 | W398-Q561 WeakPolarHBondContact CZ2-O 3.34Å; W398-Q561 PolarHBondContact NE1-O 3.49Å; A402-Q561 HydrophobicContact CB-CB 4.08Å; A402-Q561 HydrophobicContact CB-CG 3.84Å; F532-Q561 HydrophobicContact CE1-CB 4.41Å; P557-Q561 PolarHBondContact O-N 3.29Å; I558-Q561 CarbonylContact O-C 3.49Å; I558-Q561 WeakPolarHBondContact O-CA 3.49Å; I558-Q561 WeakPolarHBondContact O-CB 3.36Å; I558-Q561 PolarHBondContact O-N 2.91Å; L559-Q561 VanDerWaalsContact C-N 3.32Å; L559-Q561 PolarHBondContact O-N 3.09Å; Q561-L564 WeakPolarHBondContact O-CB 3.48Å; Q561-L564 PolarHBondContact O-N 3.4Å |
| 562 | V | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -33.1 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | F532 L536 I558 L559 L560 L564 S565 H568 A572 | F532-V562 HydrophobicContact CB-CG2 4.01Å; F532-V562 HydrophobicContact CD1-CG2 3.36Å; F532-V562 HydrophobicContact CE1-CG2 4.1Å; F532-V562 HydrophobicContact CG-CG2 3.95Å; L536-V562 HydrophobicContact CD1-CG1 4.23Å; L536-V562 HydrophobicContact CD2-CG1 4.44Å; L536-V562 HydrophobicContact CD2-CG2 4.31Å; I558-V562 HydrophobicContact CG2-CG2 4.28Å; I558-V562 WeakPolarHBondContact O-CG2 3.44Å; I558-V562 PolarHBondContact O-N 2.97Å; L559-V562 PolarHBondContact O-N 3.46Å; L559-V562 VanDerWaalsContact O-N 3.13Å; L560-V562 VanDerWaalsContact C-N 3.34Å; V562-L564 PolarHBondContact O-N 3.02Å; V562-L564 VanDerWaalsContact O-N 3.08Å; V562-S565 WeakPolarHBondContact O-CA 3.42Å; V562-S565 WeakPolarHBondContact O-CB 3.31Å; V562-S565 PolarHBondContact O-N 3.5Å; V562-H568 HydrophobicContact CG1-CB 3.61Å; V562-A572 HydrophobicContact CB-CB 4.14Å; V562-A572 HydrophobicContact CG1-CB 3.62Å |
| 563 | L | 88.6 | Confident | 90.3 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -25.4 | 175.6 | -67.7 | 179 | 0 | 0 | 0 | 113 | L559 L560 S565 A572 L573 L576 V599 | L559-L563 WeakPolarHBondContact O-CG 3.37Å; L559-L563 PolarHBondContact O-N 3.48Å; L560-L563 PolarHBondContact O-N 3.34Å; L563-S565 VanDerWaalsContact C-N 3.29Å; L563-A572 HydrophobicContact CD2-CB 4.07Å; L563-L573 HydrophobicContact CD2-CD2 3.45Å; L563-L573 VanDerWaalsContact CD2-CD2 3.45Å; L563-L573 HydrophobicContact CD2-CG 3.63Å; L563-L576 HydrophobicContact CD1-CD2 4.26Å; L563-V599 HydrophobicContact CD1-CG2 4.48Å |
| 564 | L | 84.9 | Confident | 90.4 | Very high | 62 Ų | 62 | 36 Ų | 36 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -16 | 174.7 | -61.6 | 176.1 | 0 | 0 | 0 | 113.3 | R389 Q561 V562 Y598 | R389-L564 PolarHBondContact NH1-O 3.38Å; Q561-L564 WeakPolarHBondContact O-CB 3.48Å; Q561-L564 PolarHBondContact O-N 3.4Å; V562-L564 PolarHBondContact O-N 3.02Å; V562-L564 VanDerWaalsContact O-N 3.08Å; L564-Y598 HydrophobicContact CD1-CE1 4.18Å; L564-Y598 HydrophobicContact CD2-CD1 3.4Å; L564-Y598 HydrophobicContact CD2-CE1 3.49Å; L564-Y598 VanDerWaalsContact CD2-CE1 3.49Å; L564-Y598 HydrophobicContact CD2-CG 4.49Å; L564-Y598 HydrophobicContact CG-CD1 4.22Å; L564-Y598 HydrophobicContact CG-CE1 4.14Å |
| 565 | S | 83.7 | Confident | 90.6 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | trans | -77.4 | 158.8 | 172.2 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | W398 V562 L563 V567 R569 | W398-S565 VanDerWaalsContact CH2-CB 3.49Å; V562-S565 WeakPolarHBondContact O-CA 3.42Å; V562-S565 WeakPolarHBondContact O-CB 3.31Å; V562-S565 PolarHBondContact O-N 3.5Å; L563-S565 VanDerWaalsContact C-N 3.29Å; S565-V567 PolarHBondContact OG-N 2.97Å; S565-R569 WeakPolarHBondContact O-CB 3.48Å; S565-R569 VanDerWaalsContact O-CZ 3.25Å; S565-R569 PolarHBondContact O-NE 3.43Å; S565-R569 PolarHBondContact O-NH2 2.94Å | ||
| 566 | Q | 81.4 | Confident | 90.7 | Very high | 148 Ų | 148 | 32.7 Ų | 32.7 | 69% | 0.692 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -94.7 | -32.1 | 166 | -171.5 | 168.1 | -1.5 | 0 | 0 | 112.1 | ||
| 567 | V | 85.4 | Confident | 90.7 | Very high | 119 Ų | 119 | 32.7 Ų | 32.7 | 72% | 0.721 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -46.5 | -170.3 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | S565 | S565-V567 PolarHBondContact OG-N 2.97Š|
| 568 | H | 88.9 | Confident | 90.7 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 14.2 | -176.1 | -54.7 | -59.4 | 0 | 0 | 0 | 113 | L536 V562 V570 A572 | L536-H568 HydrophobicContact CD1-CB 3.97Å; V562-H568 HydrophobicContact CG1-CB 3.61Å; H568-V570 PolarHBondContact O-N 3.21Å; H568-A572 WeakPolarHBondContact O-CB 3.47Å; H568-A572 PolarHBondContact O-N 3.27Å |
| 569 | R | 91.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 18% | 0.181 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | -171 | -172.1 | -178.1 | -64.2 | 140.7 | 1.2 | 112.6 | S565 A572 L573 | S565-R569 WeakPolarHBondContact O-CB 3.48Å; S565-R569 VanDerWaalsContact O-CZ 3.25Å; S565-R569 PolarHBondContact O-NE 3.43Å; S565-R569 PolarHBondContact O-NH2 2.94Å; R569-A572 PolarHBondContact O-N 3.08Å; R569-L573 HydrophobicContact CG-CD1 3.96Å; R569-L573 HydrophobicContact CG-CG 4.46Å; R569-L573 WeakPolarHBondContact O-CG 3.2Å; R569-L573 PolarHBondContact O-N 3.16Å |
| 570 | V | 91.2 | Very high | 90.6 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -54.6 | -177 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | H568 A572 L573 E574 E609 L610 | H568-V570 PolarHBondContact O-N 3.21Å; V570-A572 VanDerWaalsContact C-N 3.31Å; V570-A572 PolarHBondContact O-N 3.31Å; V570-L573 PolarHBondContact O-N 3Å; V570-E574 HydrophobicContact CG1-CG 4.48Å; V570-E574 WeakPolarHBondContact CG1-OE1 3.44Å; V570-E574 WeakPolarHBondContact O-CG 3.36Å; V570-E574 PolarHBondContact O-N 3.34Å; V570-E609 HydrophobicContact CG2-CG 4.29Å; V570-L610 HydrophobicContact CG2-CD2 3.92Å |
| 571 | R | 93.2 | Very high | 90.7 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -54.9 | -43.3 | 175.9 | -172.3 | 178.7 | -179.4 | -155 | -1.2 | 112.8 | L536 T537 E540 L573 E574 L575 | L536-R571 HydrophobicContact CD1-CB 4.49Å; L536-R571 HydrophobicContact CD1-CG 4.27Å; T537-R571 PolarHBondContact OG1-NH2 3.1Å; E540-R571 IonicContact OE2-CZ 2.79Å; E540-R571 IonicContact OE2-NE 3.46Å; E540-R571 IonicContact OE2-NH2 2.67Å; E540-R571 PolarHBondContact OE2-NH2 3.16Å; R571-L573 PolarHBondContact O-N 3.37Å; R571-E574 PolarHBondContact O-N 3.22Å; R571-L575 HydrophobicContact CG-CD1 4.21Å; R571-L575 WeakPolarHBondContact O-CB 3.43Å; R571-L575 VanDerWaalsContact O-CG 3.31Å; R571-L575 WeakPolarHBondContact O-CG 3.4Å; R571-L575 PolarHBondContact O-N 3.49Å |
| 572 | A | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L536 L559 V562 L563 H568 R569 V570 L576 | L536-A572 HydrophobicContact CD2-CB 4.15Å; L559-A572 HydrophobicContact CD1-CB 3.84Å; V562-A572 HydrophobicContact CB-CB 4.14Å; V562-A572 HydrophobicContact CG1-CB 3.62Å; L563-A572 HydrophobicContact CD2-CB 4.07Å; H568-A572 WeakPolarHBondContact O-CB 3.47Å; H568-A572 PolarHBondContact O-N 3.27Å; R569-A572 PolarHBondContact O-N 3.08Å; V570-A572 VanDerWaalsContact C-N 3.31Å; V570-A572 PolarHBondContact O-N 3.31Å; A572-L576 WeakPolarHBondContact O-CB 3.33Å; A572-L576 PolarHBondContact O-N 3.09Å |
| 573 | L | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | 175 | -71.6 | 168.2 | 0 | 0 | 0 | 111.6 | L563 R569 V570 R571 L576 S577 L602 L610 V613 L614 I617 | L563-L573 HydrophobicContact CD2-CD2 3.45Å; L563-L573 VanDerWaalsContact CD2-CD2 3.45Å; L563-L573 HydrophobicContact CD2-CG 3.63Å; R569-L573 HydrophobicContact CG-CD1 3.96Å; R569-L573 HydrophobicContact CG-CG 4.46Å; R569-L573 WeakPolarHBondContact O-CG 3.2Å; R569-L573 PolarHBondContact O-N 3.16Å; V570-L573 PolarHBondContact O-N 3Å; R571-L573 PolarHBondContact O-N 3.37Å; L573-L576 PolarHBondContact O-N 3.34Å; L573-S577 PolarHBondContact O-N 3.15Å; L573-S577 PolarHBondContact O-OG 3.08Å; L573-L602 HydrophobicContact CD1-CD1 4.24Å; L573-L602 HydrophobicContact CD2-CD1 4.13Å; L573-L610 HydrophobicContact CD1-CD2 3.85Å; L573-V613 HydrophobicContact CB-CB 4.36Å; L573-V613 HydrophobicContact CB-CG1 3.55Å; L573-V613 WeakPolarHBondContact O-CG1 3.13Å; L573-L614 HydrophobicContact CD1-CD2 4.12Å; L573-L614 HydrophobicContact CD1-CG 4.41Å; L573-L614 HydrophobicContact CD2-CD2 3.93Å; L573-I617 HydrophobicContact CB-CD1 4.38Å; L573-I617 HydrophobicContact CD2-CD1 3.56Å |
| 574 | E | 92.4 | Very high | 90.1 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62 | -46.5 | 176.6 | -72.1 | 167.4 | 170.7 | 0 | 0 | 111.2 | V570 R571 L576 S577 R578 V613 | V570-E574 HydrophobicContact CG1-CG 4.48Å; V570-E574 WeakPolarHBondContact CG1-OE1 3.44Å; V570-E574 WeakPolarHBondContact O-CG 3.36Å; V570-E574 PolarHBondContact O-N 3.34Å; R571-E574 PolarHBondContact O-N 3.22Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 3.39Å; E574-S577 WeakPolarHBondContact O-CB 2.87Å; E574-S577 PolarHBondContact O-N 3.16Å; E574-R578 WeakPolarHBondContact O-CG 3.42Å; E574-R578 PolarHBondContact O-N 3.44Å; E574-V613 HydrophobicContact CG-CG1 4.47Å; E574-V613 HydrophobicContact CG-CG2 4.08Å |
| 575 | L | 93.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 174.8 | -69.4 | 174.6 | 0 | 0 | 0 | 111.7 | L536 F539 E540 L543 L559 R571 R578 F579 | L536-L575 HydrophobicContact CB-CD1 3.94Å; L536-L575 HydrophobicContact CD2-CD1 4.09Å; L536-L575 HydrophobicContact CG-CD1 4.48Å; F539-L575 HydrophobicContact CD1-CB 3.87Å; F539-L575 HydrophobicContact CD1-CD1 4.34Å; F539-L575 HydrophobicContact CE1-CB 3.98Å; E540-L575 HydrophobicContact CB-CD2 3.77Å; E540-L575 HydrophobicContact CG-CD2 3.95Å; L543-L575 HydrophobicContact CD1-CD2 3.98Å; L559-L575 HydrophobicContact CD1-CB 4.43Å; R571-L575 HydrophobicContact CG-CD1 4.21Å; R571-L575 WeakPolarHBondContact O-CB 3.43Å; R571-L575 VanDerWaalsContact O-CG 3.31Å; R571-L575 WeakPolarHBondContact O-CG 3.4Å; R571-L575 PolarHBondContact O-N 3.49Å; L575-R578 PolarHBondContact O-N 3.08Å; L575-F579 PolarHBondContact O-N 2.92Å |
| 576 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 173.6 | -179.6 | 58.1 | 0 | 0 | 0 | 111.1 | L559 L563 A572 L573 E574 R578 F579 L580 I595 V599 I617 | L559-L576 HydrophobicContact CD2-CB 3.83Å; L559-L576 HydrophobicContact CD2-CD1 4Å; L559-L576 HydrophobicContact CD2-CG 4.45Å; L563-L576 HydrophobicContact CD1-CD2 4.26Å; A572-L576 WeakPolarHBondContact O-CB 3.33Å; A572-L576 PolarHBondContact O-N 3.09Å; L573-L576 PolarHBondContact O-N 3.34Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 3.39Å; L576-R578 PolarHBondContact O-N 3.16Å; L576-F579 HydrophobicContact CD1-CD1 4.5Å; L576-F579 WeakPolarHBondContact O-CB 3.35Å; L576-F579 PolarHBondContact O-N 3.17Å; L576-F579 VanDerWaalsContact O-N 3.15Å; L576-L580 HydrophobicContact CD1-CD1 4.19Å; L576-L580 HydrophobicContact CD1-CD2 4.23Å; L576-L580 HydrophobicContact CD1-CG 3.97Å; L576-L580 HydrophobicContact CG-CD1 4Å; L576-L580 HydrophobicContact CG-CG 4.23Å; L576-L580 VanDerWaalsContact O-CG 3.27Å; L576-L580 WeakPolarHBondContact O-CG 3.48Å; L576-L580 PolarHBondContact O-N 2.93Å; L576-I595 HydrophobicContact CD1-CD1 4.19Å; L576-I595 HydrophobicContact CD2-CD1 3.98Å; L576-V599 HydrophobicContact CD2-CG2 4.38Å; L576-I617 HydrophobicContact CD2-CD1 3.99Å; L576-I617 HydrophobicContact CG-CD1 4.32Å |
| 577 | S | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 176.2 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L573 E574 F579 L580 D581 V613 I617 | L573-S577 PolarHBondContact O-N 3.15Å; L573-S577 PolarHBondContact O-OG 3.08Å; E574-S577 WeakPolarHBondContact O-CB 2.87Å; E574-S577 PolarHBondContact O-N 3.16Å; S577-F579 VanDerWaalsContact C-N 3.29Å; S577-F579 PolarHBondContact O-N 2.76Å; S577-L580 PolarHBondContact O-N 3.3Å; S577-D581 WeakPolarHBondContact O-CB 3.46Å; S577-D581 PolarHBondContact O-N 3.23Å; S577-V613 WeakPolarHBondContact OG-CG1 3.39Å; S577-V613 PolarHBondContact OG-O 2.93Å; S577-I617 WeakPolarHBondContact OG-CG1 3.47Å |
| 578 | R | 92.2 | Very high | 91 | Very high | 94 Ų | 94 | 27.1 Ų | 27.1 | 36% | 0.355 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 175.5 | -70.6 | 175 | 68.2 | -173.2 | -1.1 | 112.2 | E540 L543 E574 L575 L576 D581 I1149 | E540-R578 IonicContact OE1-NH1 2.97Å; L543-R578 HydrophobicContact CD1-CB 3.9Å; E574-R578 WeakPolarHBondContact O-CG 3.42Å; E574-R578 PolarHBondContact O-N 3.44Å; L575-R578 PolarHBondContact O-N 3.08Å; L576-R578 PolarHBondContact O-N 3.16Å; R578-D581 PolarHBondContact O-N 3.35Å; R578-I1149 HydrophobicContact CG-CD1 3.9Å |
| 579 | F | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -47.6 | 175.5 | -179.2 | -118 | 0 | 0 | 0 | 112.6 | F539 W542 L543 P553 L556 L575 L576 S577 D581 L582 W585 A586 L589 S590 | F539-F579 HydrophobicContact CE1-CB 4.06Å; F539-F579 HydrophobicContact CZ-CB 3.7Å; F539-F579 HydrophobicContact CZ-CD1 4.31Å; F539-F579 HydrophobicContact CZ-CD2 4.07Å; F539-F579 AromaticContact CZ-CG 3.76Å; F539-F579 HydrophobicContact CZ-CG 3.76Å; W542-F579 HydrophobicContact CH2-CD2 4.28Å; W542-F579 AromaticContact CH2-CE2 3.81Å; W542-F579 HydrophobicContact CH2-CE2 3.81Å; W542-F579 AromaticContact CZ3-CD2 3.69Å; W542-F579 HydrophobicContact CZ3-CD2 3.69Å; W542-F579 AromaticContact CZ3-CE2 3.67Å; W542-F579 HydrophobicContact CZ3-CE2 3.67Å; L543-F579 HydrophobicContact CD2-CB 3.95Å; L543-F579 HydrophobicContact CD2-CD2 4.04Å; P553-F579 HydrophobicContact CG-CD2 4.23Å; P553-F579 HydrophobicContact CG-CE2 3.62Å; P553-F579 HydrophobicContact CG-CZ 3.83Å; L556-F579 HydrophobicContact CD1-CD1 3.88Å; L556-F579 HydrophobicContact CD1-CE1 3.7Å; L556-F579 HydrophobicContact CD1-CZ 4.47Å; L556-F579 HydrophobicContact CD2-CE1 3.91Å; L556-F579 HydrophobicContact CD2-CZ 4.25Å; L556-F579 HydrophobicContact CG-CE1 4.48Å; L575-F579 PolarHBondContact O-N 2.92Å; L576-F579 HydrophobicContact CD1-CD1 4.5Å; L576-F579 WeakPolarHBondContact O-CB 3.35Å; L576-F579 PolarHBondContact O-N 3.17Å; L576-F579 VanDerWaalsContact O-N 3.15Å; S577-F579 VanDerWaalsContact C-N 3.29Å; S577-F579 PolarHBondContact O-N 2.76Å; F579-D581 PolarHBondContact O-N 3.48Å; F579-L582 HydrophobicContact CD2-CD1 3.85Å; F579-L582 HydrophobicContact CE2-CD1 4.24Å; F579-L582 VanDerWaalsContact O-CB 3.29Å; F579-L582 WeakPolarHBondContact O-CB 3.36Å; F579-L582 WeakPolarHBondContact O-CG 3.38Å; F579-L582 PolarHBondContact O-N 3.49Å; F579-L582 VanDerWaalsContact O-N 3.14Å; F579-W585 HydrophobicContact CE2-CH2 4.15Å; F579-A586 HydrophobicContact CD1-CB 4.15Å; F579-A586 HydrophobicContact CD2-CB 4.24Å; F579-A586 HydrophobicContact CE1-CB 3.83Å; F579-A586 WeakPolarHBondContact CE1-O 3.46Å; F579-A586 HydrophobicContact CE2-CB 3.91Å; F579-A586 HydrophobicContact CG-CB 4.35Å; F579-A586 HydrophobicContact CZ-CB 3.7Å; F579-A586 WeakPolarHBondContact O-CB 3.48Å; F579-L589 HydrophobicContact CZ-CD1 4.39Å; F579-S590 WeakPolarHBondContact CD1-OG 3.31Å; F579-S590 VanDerWaalsContact CE1-OG 3.22Å; F579-S590 WeakPolarHBondContact CE1-OG 3.49Å |
| 580 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -25.7 | 178.6 | -63.4 | 176.2 | 0 | 0 | 0 | 112.3 | L576 S577 L582 G583 V587 S590 I617 K620 | L576-L580 HydrophobicContact CD1-CD1 4.19Å; L576-L580 HydrophobicContact CD1-CD2 4.23Å; L576-L580 HydrophobicContact CD1-CG 3.97Å; L576-L580 HydrophobicContact CG-CD1 4Å; L576-L580 HydrophobicContact CG-CG 4.23Å; L576-L580 VanDerWaalsContact O-CG 3.27Å; L576-L580 WeakPolarHBondContact O-CG 3.48Å; L576-L580 PolarHBondContact O-N 2.93Å; S577-L580 PolarHBondContact O-N 3.3Å; L580-L582 PolarHBondContact O-N 3.32Å; L580-G583 PolarHBondContact O-N 2.98Å; L580-V587 HydrophobicContact CB-CG2 4.28Å; L580-V587 HydrophobicContact CD2-CB 4.24Å; L580-V587 HydrophobicContact CD2-CG2 3.95Å; L580-S590 VanDerWaalsContact CD2-OG 3.31Å; L580-S590 WeakPolarHBondContact CD2-OG 3.2Å; L580-I617 HydrophobicContact CD1-CB 4.1Å; L580-I617 HydrophobicContact CD1-CG1 3.94Å; L580-I617 HydrophobicContact CD1-CG2 3.67Å; L580-K620 HydrophobicContact CB-CB 4.05Å; L580-K620 HydrophobicContact CB-CG 4.13Å |
| 581 | D | 91.2 | Very high | 91 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.3 | -19.6 | 176.6 | -155.9 | 43.2 | 0 | 0 | 0 | 113.3 | S577 R578 F579 G583 F616 K620 P1147 V1148 I1149 | S577-D581 WeakPolarHBondContact O-CB 3.46Å; S577-D581 PolarHBondContact O-N 3.23Å; R578-D581 PolarHBondContact O-N 3.35Å; F579-D581 PolarHBondContact O-N 3.48Å; D581-G583 PolarHBondContact O-N 3.43Å; D581-G583 VanDerWaalsContact O-N 3.13Å; D581-F616 HydrophobicContact CB-CE1 4.16Å; D581-F616 HydrophobicContact CB-CZ 4.14Å; D581-F616 WeakPolarHBondContact OD1-CZ 3.42Å; D581-K620 WeakPolarHBondContact OD1-CE 3.5Å; D581-K620 IonicContact OD1-NZ 3.32Å; D581-K620 PolarHBondContact OD1-NZ 2.91Å; D581-P1147 VanDerWaalsContact CG-CA 3.48Å; D581-P1147 VanDerWaalsContact O-CA 3.31Å; D581-P1147 WeakPolarHBondContact O-CA 3.1Å; D581-P1147 WeakPolarHBondContact O-CG 3.25Å; D581-P1147 WeakPolarHBondContact OD1-CA 3.22Å; D581-P1147 WeakPolarHBondContact OD2-CA 3.08Å; D581-V1148 VanDerWaalsContact CG-N 3.32Å; D581-V1148 PolarHBondContact OD1-N 3.47Å; D581-V1148 PolarHBondContact OD2-N 3.21Å; D581-I1149 HydrophobicContact CB-CB 4.23Å; D581-I1149 HydrophobicContact CB-CG2 4.39Å; D581-I1149 PolarHBondContact OD1-N 3.19Å; D581-I1149 WeakPolarHBondContact OD2-CB 3.46Å; D581-I1149 WeakPolarHBondContact OD2-CG2 3.45Å; D581-I1149 PolarHBondContact OD2-N 3.4Å |
| 582 | L | 87.2 | Confident | 90.7 | Very high | 45 Ų | 45 | 18.2 Ų | 18.2 | 24% | 0.236 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.4 | 175.5 | -60.1 | 177.8 | 0 | 0 | 0 | 114.1 | W542 L543 F547 F579 L580 W585 A586 | W542-L582 HydrophobicContact CH2-CD1 4.08Å; W542-L582 HydrophobicContact CZ3-CD1 3.87Å; L543-L582 HydrophobicContact CD2-CD1 4.01Å; F547-L582 HydrophobicContact CB-CD1 3.91Å; F547-L582 HydrophobicContact CB-CD2 4.39Å; F547-L582 HydrophobicContact CD2-CD2 4.29Å; F547-L582 HydrophobicContact CG-CD2 4.26Å; F579-L582 HydrophobicContact CD2-CD1 3.85Å; F579-L582 HydrophobicContact CE2-CD1 4.24Å; F579-L582 VanDerWaalsContact O-CB 3.29Å; F579-L582 WeakPolarHBondContact O-CB 3.36Å; F579-L582 WeakPolarHBondContact O-CG 3.38Å; F579-L582 PolarHBondContact O-N 3.49Å; F579-L582 VanDerWaalsContact O-N 3.14Å; L580-L582 PolarHBondContact O-N 3.32Å; L582-W585 HydrophobicContact CB-CZ2 4.21Å; L582-W585 HydrophobicContact CD1-CZ2 4.06Å; L582-W585 PolarHBondContact O-NE1 3.29Å; L582-A586 HydrophobicContact CB-CB 4.24Å |
| 583 | G | 85.2 | Confident | 90.4 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | trans | 123.1 | -177 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L580 D581 W585 A586 V587 K1145 | L580-G583 PolarHBondContact O-N 2.98Å; D581-G583 PolarHBondContact O-N 3.43Å; D581-G583 VanDerWaalsContact O-N 3.13Å; G583-W585 VanDerWaalsContact C-N 3.27Å; G583-W585 PolarHBondContact O-N 3.4Å; G583-W585 VanDerWaalsContact O-N 3.16Å; G583-A586 PolarHBondContact O-N 2.92Å; G583-A586 VanDerWaalsContact O-N 3.08Å; G583-V587 PolarHBondContact O-N 3.32Å; G583-K1145 WeakPolarHBondContact CA-O 3.35Å | ||
| 584 | P | 86.5 | Confident | 90.2 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -33.2 | -171.4 | -29.4 | 38.3 | 0 | 0 | 0 | 114.9 | E41 A586 V587 N588 V624 K1145 | E41-P584 WeakPolarHBondContact OE2-CG 3.45Å; P584-A586 VanDerWaalsContact C-N 3.33Å; P584-A586 PolarHBondContact O-N 2.82Å; P584-V587 PolarHBondContact O-N 2.87Å; P584-N588 PolarHBondContact O-N 3.01Å; P584-N588 PolarHBondContact O-ND2 3.2Å; P584-N588 VanDerWaalsContact O-ND2 3.17Å; P584-V624 HydrophobicContact CB-CG1 4.38Å; P584-V624 HydrophobicContact CB-CG2 3.9Å; P584-V624 HydrophobicContact CG-CG2 4.19Å; P584-K1145 HydrophobicContact CG-CB 3.93Å; P584-K1145 HydrophobicContact CG-CD 3.87Å; P584-K1145 HydrophobicContact CG-CG 4.25Å |
| 585 | W | 85.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 14.5 Ų | 14.5 | 22% | 0.216 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.9 | 74.5 | -84.8 | 0 | 0 | 0 | 112.1 | W542 F579 L582 G583 N588 L589 | W542-W585 AromaticContact CH2-CH2 3.86Å; W542-W585 HydrophobicContact CH2-CH2 3.86Å; W542-W585 HydrophobicContact CH2-CZ2 4.49Å; W542-W585 HydrophobicContact CZ2-CH2 4.41Å; F579-W585 HydrophobicContact CE2-CH2 4.15Å; L582-W585 HydrophobicContact CB-CZ2 4.21Å; L582-W585 HydrophobicContact CD1-CZ2 4.06Å; L582-W585 PolarHBondContact O-NE1 3.29Å; G583-W585 VanDerWaalsContact C-N 3.27Å; G583-W585 PolarHBondContact O-N 3.4Å; G583-W585 VanDerWaalsContact O-N 3.16Å; W585-N588 PolarHBondContact O-N 3.2Å; W585-L589 HydrophobicContact CE3-CD1 3.41Å; W585-L589 VanDerWaalsContact CE3-CD1 3.41Å; W585-L589 HydrophobicContact CE3-CG 4.39Å; W585-L589 HydrophobicContact CZ3-CD1 3.36Å; W585-L589 WeakPolarHBondContact O-CG 3.28Å; W585-L589 PolarHBondContact O-N 2.95Å |
| 586 | A | 89.8 | Confident | 90 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70.8 | -35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F579 L582 G583 P584 S590 | F579-A586 HydrophobicContact CD1-CB 4.15Å; F579-A586 HydrophobicContact CD2-CB 4.24Å; F579-A586 HydrophobicContact CE1-CB 3.83Å; F579-A586 WeakPolarHBondContact CE1-O 3.46Å; F579-A586 HydrophobicContact CE2-CB 3.91Å; F579-A586 HydrophobicContact CG-CB 4.35Å; F579-A586 HydrophobicContact CZ-CB 3.7Å; F579-A586 WeakPolarHBondContact O-CB 3.48Å; L582-A586 HydrophobicContact CB-CB 4.24Å; G583-A586 PolarHBondContact O-N 2.92Å; G583-A586 VanDerWaalsContact O-N 3.08Å; P584-A586 VanDerWaalsContact C-N 3.33Å; P584-A586 PolarHBondContact O-N 2.82Å; A586-S590 WeakPolarHBondContact O-CB 3.5Å; A586-S590 PolarHBondContact O-N 2.89Å; A586-S590 PolarHBondContact O-OG 2.91Å |
| 587 | V | 91.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | L580 G583 P584 L589 S590 L591 K620 V621 V624 | L580-V587 HydrophobicContact CB-CG2 4.28Å; L580-V587 HydrophobicContact CD2-CB 4.24Å; L580-V587 HydrophobicContact CD2-CG2 3.95Å; G583-V587 PolarHBondContact O-N 3.32Å; P584-V587 PolarHBondContact O-N 2.87Å; V587-L589 PolarHBondContact O-N 2.63Å; V587-S590 WeakPolarHBondContact O-CB 3.49Å; V587-S590 PolarHBondContact O-N 3.22Å; V587-L591 HydrophobicContact CG1-CD1 3.93Å; V587-L591 HydrophobicContact CG1-CG 4.37Å; V587-L591 WeakPolarHBondContact O-CG 3.48Å; V587-L591 PolarHBondContact O-N 3.19Å; V587-K620 HydrophobicContact CG2-CB 4.21Å; V587-V621 HydrophobicContact CG1-CG2 4.28Å; V587-V624 HydrophobicContact CB-CB 4.47Å; V587-V624 HydrophobicContact CB-CG2 4.02Å; V587-V624 HydrophobicContact CG1-CB 4.05Å; V587-V624 HydrophobicContact CG1-CG1 4.33Å; V587-V624 HydrophobicContact CG1-CG2 4.07Å; V587-V624 HydrophobicContact CG2-CG2 3.98Å |
| 588 | N | 87.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 22.7 Ų | 22.7 | 17% | 0.166 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 179.7 | -72 | -35.2 | 0 | 0 | 0 | 112.8 | V44 P584 W585 S590 L591 A592 | V44-N588 WeakPolarHBondContact CG1-ND2 3.46Å; P584-N588 PolarHBondContact O-N 3.01Å; P584-N588 PolarHBondContact O-ND2 3.2Å; P584-N588 VanDerWaalsContact O-ND2 3.17Å; W585-N588 PolarHBondContact O-N 3.2Å; N588-S590 VanDerWaalsContact C-N 3.32Å; N588-S590 PolarHBondContact O-N 3.3Å; N588-L591 PolarHBondContact O-N 3.41Å; N588-A592 VanDerWaalsContact O-CB 3.3Å; N588-A592 WeakPolarHBondContact O-CB 3.49Å; N588-A592 PolarHBondContact O-N 3.44Å |
| 589 | L | 88.8 | Confident | 89.7 | Confident | 28 Ų | 28 | 18.3 Ų | 18.3 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 174.4 | -74.9 | 175.4 | 0 | 0 | 0 | 111.9 | W409 P552 L556 F579 W585 V587 A592 V593 | W409-L589 HydrophobicContact CZ2-CD2 4.14Å; P552-L589 HydrophobicContact CB-CD1 4.05Å; P552-L589 HydrophobicContact CB-CD2 4.46Å; L556-L589 HydrophobicContact CD2-CB 4.14Å; F579-L589 HydrophobicContact CZ-CD1 4.39Å; W585-L589 HydrophobicContact CE3-CD1 3.41Å; W585-L589 VanDerWaalsContact CE3-CD1 3.41Å; W585-L589 HydrophobicContact CE3-CG 4.39Å; W585-L589 HydrophobicContact CZ3-CD1 3.36Å; W585-L589 WeakPolarHBondContact O-CG 3.28Å; W585-L589 PolarHBondContact O-N 2.95Å; V587-L589 PolarHBondContact O-N 2.63Å; L589-A592 PolarHBondContact O-N 3.47Å; L589-V593 WeakPolarHBondContact O-CG2 3.37Å; L589-V593 PolarHBondContact O-N 3.36Å |
| 590 | S | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 179 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | F579 L580 A586 V587 N588 A592 V593 G594 I595 | F579-S590 WeakPolarHBondContact CD1-OG 3.31Å; F579-S590 VanDerWaalsContact CE1-OG 3.22Å; F579-S590 WeakPolarHBondContact CE1-OG 3.49Å; L580-S590 VanDerWaalsContact CD2-OG 3.31Å; L580-S590 WeakPolarHBondContact CD2-OG 3.2Å; A586-S590 WeakPolarHBondContact O-CB 3.5Å; A586-S590 PolarHBondContact O-N 2.89Å; A586-S590 PolarHBondContact O-OG 2.91Å; V587-S590 WeakPolarHBondContact O-CB 3.49Å; V587-S590 PolarHBondContact O-N 3.22Å; N588-S590 VanDerWaalsContact C-N 3.32Å; N588-S590 PolarHBondContact O-N 3.3Å; S590-A592 VanDerWaalsContact C-N 3.3Å; S590-A592 PolarHBondContact O-N 3.23Å; S590-V593 PolarHBondContact O-N 3.35Å; S590-G594 PolarHBondContact O-N 3.43Å; S590-I595 VanDerWaalsContact CB-CD1 3.46Å; S590-I595 WeakPolarHBondContact O-CG1 3.47Å; S590-I595 WeakPolarHBondContact O-CG2 3.48Å; S590-I595 PolarHBondContact O-N 3.23Å |
| 591 | L | 90.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 176.6 | -68.4 | 174.7 | 0 | 0 | 0 | 111.3 | W49 V587 N588 G594 I595 F596 V621 | W49-L591 HydrophobicContact CB-CB 4.11Å; W49-L591 HydrophobicContact CD2-CB 3.67Å; W49-L591 HydrophobicContact CD2-CD1 4.1Å; W49-L591 HydrophobicContact CD2-CG 4.34Å; W49-L591 HydrophobicContact CE3-CB 3.88Å; W49-L591 HydrophobicContact CG-CB 3.77Å; W49-L591 HydrophobicContact CG-CD1 4.31Å; W49-L591 HydrophobicContact CH2-CD2 4.31Å; W49-L591 HydrophobicContact CZ2-CD1 4.08Å; W49-L591 HydrophobicContact CZ2-CD2 4.41Å; W49-L591 HydrophobicContact CZ3-CD2 4.38Å; V587-L591 HydrophobicContact CG1-CD1 3.93Å; V587-L591 HydrophobicContact CG1-CG 4.37Å; V587-L591 WeakPolarHBondContact O-CG 3.48Å; V587-L591 PolarHBondContact O-N 3.19Å; N588-L591 PolarHBondContact O-N 3.41Å; L591-G594 WeakPolarHBondContact O-CA 3.09Å; L591-G594 PolarHBondContact O-N 3.24Å; L591-I595 HydrophobicContact CD2-CG1 4.4Å; L591-F596 HydrophobicContact CD2-CB 4.02Å; L591-F596 HydrophobicContact CD2-CD2 4.21Å; L591-V621 HydrophobicContact CD2-CG1 4.4Å; L591-V621 HydrophobicContact CD2-CG2 4.43Å |
| 592 | A | 86.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W409 Q414 Q418 N588 L589 S590 G594 | W409-A592 HydrophobicContact CH2-CB 3.81Å; W409-A592 HydrophobicContact CZ3-CB 4.38Å; Q414-A592 HydrophobicContact CG-CB 4.14Å; Q418-A592 VanDerWaalsContact NE2-C 3.33Å; Q418-A592 PolarHBondContact NE2-O 3.4Å; N588-A592 VanDerWaalsContact O-CB 3.3Å; N588-A592 WeakPolarHBondContact O-CB 3.49Å; N588-A592 PolarHBondContact O-N 3.44Å; L589-A592 PolarHBondContact O-N 3.47Å; S590-A592 VanDerWaalsContact C-N 3.3Å; S590-A592 PolarHBondContact O-N 3.23Å; A592-G594 PolarHBondContact O-N 3.25Å; A592-G594 VanDerWaalsContact O-N 3.08Å |
| 593 | V | 90 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -24.9 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 112 | W409 R422 L556 P557 L560 L589 S590 | W409-V593 HydrophobicContact CD2-CG2 3.69Å; W409-V593 HydrophobicContact CE3-CG2 3.92Å; W409-V593 HydrophobicContact CG-CG2 4.43Å; W409-V593 HydrophobicContact CH2-CG2 3.61Å; W409-V593 HydrophobicContact CZ2-CG2 3.35Å; W409-V593 HydrophobicContact CZ3-CG2 3.88Å; R422-V593 PolarHBondContact NE-O 2.6Å; R422-V593 PolarHBondContact NH2-O 3.17Å; R422-V593 VanDerWaalsContact NH2-O 3.11Å; L556-V593 HydrophobicContact CB-CG2 4.38Å; L556-V593 HydrophobicContact CD2-CB 4.47Å; L556-V593 HydrophobicContact CD2-CG2 3.62Å; L556-V593 HydrophobicContact CG-CB 4.39Å; L556-V593 HydrophobicContact CG-CG2 3.82Å; P557-V593 HydrophobicContact CB-CG1 4.3Å; P557-V593 HydrophobicContact CG-CG1 4.35Å; L560-V593 HydrophobicContact CB-CG1 4.21Å; L560-V593 HydrophobicContact CD1-CG1 3.81Å; L560-V593 WeakPolarHBondContact CD1-O 3.31Å; L589-V593 WeakPolarHBondContact O-CG2 3.37Å; L589-V593 PolarHBondContact O-N 3.36Å; S590-V593 PolarHBondContact O-N 3.35Å |
| 594 | G | 88.6 | Confident | 90.4 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | 31.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L560 S590 L591 A592 F596 P597 Y598 | L560-G594 VanDerWaalsContact CD1-C 3.47Å; L560-G594 WeakPolarHBondContact CD1-O 3.36Å; S590-G594 PolarHBondContact O-N 3.43Å; L591-G594 WeakPolarHBondContact O-CA 3.09Å; L591-G594 PolarHBondContact O-N 3.24Å; A592-G594 PolarHBondContact O-N 3.25Å; A592-G594 VanDerWaalsContact O-N 3.08Å; G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 3.01Å; G594-P597 WeakPolarHBondContact O-CD 3.49Å; G594-Y598 VanDerWaalsContact O-CD2 3.27Å; G594-Y598 WeakPolarHBondContact O-CD2 3.38Å; G594-Y598 VanDerWaalsContact O-CE2 3.25Å; G594-Y598 WeakPolarHBondContact O-CE2 3.47Å |
| 595 | I | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -67.3 | -27.4 | -179 | 66.2 | 162.3 | 0 | 0 | 0 | 113.4 | L560 L576 S590 L591 Y598 V599 | L560-I595 HydrophobicContact CB-CG2 4.5Å; L560-I595 HydrophobicContact CD1-CG2 4.34Å; L576-I595 HydrophobicContact CD1-CD1 4.19Å; L576-I595 HydrophobicContact CD2-CD1 3.98Å; S590-I595 VanDerWaalsContact CB-CD1 3.46Å; S590-I595 WeakPolarHBondContact O-CG1 3.47Å; S590-I595 WeakPolarHBondContact O-CG2 3.48Å; S590-I595 PolarHBondContact O-N 3.23Å; L591-I595 HydrophobicContact CD2-CG1 4.4Å; I595-Y598 WeakPolarHBondContact O-CB 3.35Å; I595-Y598 PolarHBondContact O-N 2.93Å; I595-V599 HydrophobicContact CB-CG2 4.42Å; I595-V599 HydrophobicContact CD1-CG2 4.46Å; I595-V599 PolarHBondContact O-N 3.45Å; I595-V599 VanDerWaalsContact O-N 3.14Å | ||
| 596 | F | 91.1 | Very high | 90.7 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -48.8 | -56.7 | -169.3 | 179.1 | -92.5 | 0 | 0 | 0 | 114.9 | W49 L591 G594 Y598 V599 L600 W618 C628 E631 | W49-F596 HydrophobicContact CH2-CB 4.31Å; W49-F596 HydrophobicContact CH2-CD1 4.45Å; W49-F596 AromaticContact CH2-CD2 3.79Å; W49-F596 HydrophobicContact CH2-CD2 3.79Å; W49-F596 HydrophobicContact CH2-CE2 4.17Å; W49-F596 AromaticContact CH2-CG 3.93Å; W49-F596 HydrophobicContact CH2-CG 3.93Å; W49-F596 HydrophobicContact CZ3-CB 4.02Å; W49-F596 HydrophobicContact CZ3-CD2 4.35Å; W49-F596 HydrophobicContact CZ3-CG 4.06Å; L591-F596 HydrophobicContact CD2-CB 4.02Å; L591-F596 HydrophobicContact CD2-CD2 4.21Å; G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 3.01Å; F596-Y598 PolarHBondContact O-N 3.06Å; F596-Y598 VanDerWaalsContact O-N 3.14Å; F596-V599 PolarHBondContact O-N 2.99Å; F596-L600 HydrophobicContact CE1-CD2 4.1Å; F596-L600 HydrophobicContact CZ-CD2 4.41Å; F596-L600 WeakPolarHBondContact O-CB 3.43Å; F596-L600 PolarHBondContact O-N 3.29Å; F596-W618 AromaticContact CD2-CH2 3.96Å; F596-W618 HydrophobicContact CD2-CH2 3.96Å; F596-W618 HydrophobicContact CD2-CZ3 4.42Å; F596-W618 AromaticContact CE2-CH2 3.49Å; F596-W618 HydrophobicContact CE2-CH2 3.49Å; F596-W618 VanDerWaalsContact CE2-CH2 3.49Å; F596-W618 AromaticContact CE2-CZ3 3.88Å; F596-W618 HydrophobicContact CE2-CZ3 3.88Å; F596-W618 HydrophobicContact CZ-CH2 4.14Å; F596-C628 HydrophobicContact CE2-CB 3.88Å; F596-C628 HydrophobicContact CZ-CB 4.45Å; F596-E631 HydrophobicContact CE1-CB 4.39Å; F596-E631 HydrophobicContact CE1-CG 4.2Å; F596-E631 HydrophobicContact CZ-CB 3.98Å; F596-E631 HydrophobicContact CZ-CG 4.07Å |
| 597 | P | 88.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -24.5 | -177.3 | 25.4 | -36.2 | 0 | 0 | 0 | 113.4 | G594 R601 | G594-P597 WeakPolarHBondContact O-CD 3.49Å; P597-R601 WeakPolarHBondContact O-CB 3.49Å; P597-R601 PolarHBondContact O-N 3.43Å |
| 598 | Y | 90.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -79 | -48.5 | -179.9 | -56.2 | -73.2 | 0 | 0 | 0 | 111 | L560 L564 G594 I595 F596 L600 R601 L602 | L560-Y598 HydrophobicContact CD1-CD2 4.13Å; L560-Y598 HydrophobicContact CD1-CE2 3.78Å; L560-Y598 HydrophobicContact CD2-CD2 4.38Å; L560-Y598 HydrophobicContact CD2-CE2 3.74Å; L560-Y598 HydrophobicContact CG-CD2 3.98Å; L560-Y598 HydrophobicContact CG-CE2 3.76Å; L564-Y598 HydrophobicContact CD1-CE1 4.18Å; L564-Y598 HydrophobicContact CD2-CD1 3.4Å; L564-Y598 HydrophobicContact CD2-CE1 3.49Å; L564-Y598 VanDerWaalsContact CD2-CE1 3.49Å; L564-Y598 HydrophobicContact CD2-CG 4.49Å; L564-Y598 HydrophobicContact CG-CD1 4.22Å; L564-Y598 HydrophobicContact CG-CE1 4.14Å; G594-Y598 VanDerWaalsContact O-CD2 3.27Å; G594-Y598 WeakPolarHBondContact O-CD2 3.38Å; G594-Y598 VanDerWaalsContact O-CE2 3.25Å; G594-Y598 WeakPolarHBondContact O-CE2 3.47Å; I595-Y598 WeakPolarHBondContact O-CB 3.35Å; I595-Y598 PolarHBondContact O-N 2.93Å; F596-Y598 PolarHBondContact O-N 3.06Å; F596-Y598 VanDerWaalsContact O-N 3.14Å; Y598-L600 VanDerWaalsContact C-N 3.3Å; Y598-L600 PolarHBondContact O-N 2.98Å; Y598-R601 PolarHBondContact O-N 3.15Å; Y598-L602 WeakPolarHBondContact O-CG 3.12Å; Y598-L602 PolarHBondContact O-N 3Å |
| 599 | V | 94 | Very high | 90.7 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | L563 L576 I595 F596 R601 L602 L603 L614 I617 W618 | L563-V599 HydrophobicContact CD1-CG2 4.48Å; L576-V599 HydrophobicContact CD2-CG2 4.38Å; I595-V599 HydrophobicContact CB-CG2 4.42Å; I595-V599 HydrophobicContact CD1-CG2 4.46Å; I595-V599 PolarHBondContact O-N 3.45Å; I595-V599 VanDerWaalsContact O-N 3.14Å; F596-V599 PolarHBondContact O-N 2.99Å; V599-R601 PolarHBondContact O-N 3.4Å; V599-L602 PolarHBondContact O-N 3.36Å; V599-L603 PolarHBondContact O-N 2.94Å; V599-L614 HydrophobicContact CG1-CD2 3.9Å; V599-I617 HydrophobicContact CG1-CB 4.43Å; V599-I617 HydrophobicContact CG1-CG2 3.72Å; V599-I617 HydrophobicContact CG2-CG2 4.39Å; V599-W618 HydrophobicContact CG1-CZ2 4.44Å |
| 600 | L | 94.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 173.8 | -177.6 | 62.4 | 0 | 0 | 0 | 112 | F596 Y598 L602 L603 W618 E631 L632 | F596-L600 HydrophobicContact CE1-CD2 4.1Å; F596-L600 HydrophobicContact CZ-CD2 4.41Å; F596-L600 WeakPolarHBondContact O-CB 3.43Å; F596-L600 PolarHBondContact O-N 3.29Å; Y598-L600 VanDerWaalsContact C-N 3.3Å; Y598-L600 PolarHBondContact O-N 2.98Å; L600-L602 VanDerWaalsContact C-N 3.27Å; L600-L602 PolarHBondContact O-N 3.48Å; L600-L603 HydrophobicContact CD1-CD1 4.41Å; L600-L603 WeakPolarHBondContact O-CB 3.25Å; L600-L603 PolarHBondContact O-N 2.88Å; L600-W618 HydrophobicContact CB-CH2 4.43Å; L600-W618 HydrophobicContact CB-CZ2 3.94Å; L600-W618 HydrophobicContact CD1-CH2 4.23Å; L600-W618 HydrophobicContact CD1-CZ2 3.95Å; L600-E631 HydrophobicContact CD2-CB 4.05Å; L600-L632 HydrophobicContact CD1-CD2 3.78Å; L600-L632 HydrophobicContact CD1-CG 4.49Å |
| 601 | R | 91.9 | Very high | 90.9 | Very high | 190 Ų | 190 | 51.4 Ų | 51.4 | 72% | 0.717 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.4 | -32.3 | 178.5 | -172.1 | 174.8 | 178.7 | 174.6 | -1 | 112.6 | P597 Y598 V599 L603 Q604 | P597-R601 WeakPolarHBondContact O-CB 3.49Å; P597-R601 PolarHBondContact O-N 3.43Å; Y598-R601 PolarHBondContact O-N 3.15Å; V599-R601 PolarHBondContact O-N 3.4Å; R601-L603 PolarHBondContact O-N 2.84Å; R601-Q604 WeakPolarHBondContact O-CB 3.39Å; R601-Q604 PolarHBondContact O-N 3.17Å |
| 602 | L | 93.4 | Very high | 91 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -21 | 178.8 | -73.4 | 173.4 | 0 | 0 | 0 | 113.4 | L573 Y598 V599 L600 Q604 S605 L614 | L573-L602 HydrophobicContact CD1-CD1 4.24Å; L573-L602 HydrophobicContact CD2-CD1 4.13Å; Y598-L602 WeakPolarHBondContact O-CG 3.12Å; Y598-L602 PolarHBondContact O-N 3Å; V599-L602 PolarHBondContact O-N 3.36Å; L600-L602 VanDerWaalsContact C-N 3.27Å; L600-L602 PolarHBondContact O-N 3.48Å; L602-Q604 PolarHBondContact O-N 2.7Å; L602-S605 WeakPolarHBondContact O-CB 3.46Å; L602-S605 PolarHBondContact O-N 3.11Å; L602-L614 HydrophobicContact CB-CD1 3.94Å; L602-L614 HydrophobicContact CB-CD2 3.94Å; L602-L614 HydrophobicContact CD1-CD2 4.22Å |
| 603 | L | 93.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.5 | 173.1 | -65.5 | -176.9 | 0 | 0 | 0 | 113.5 | V599 L600 R601 S605 L614 W618 L632 A637 Y640 F641 | V599-L603 PolarHBondContact O-N 2.94Å; L600-L603 HydrophobicContact CD1-CD1 4.41Å; L600-L603 WeakPolarHBondContact O-CB 3.25Å; L600-L603 PolarHBondContact O-N 2.88Å; R601-L603 PolarHBondContact O-N 2.84Å; L603-S605 PolarHBondContact O-N 3.13Å; L603-L614 HydrophobicContact CD2-CB 4.24Å; L603-L614 HydrophobicContact CD2-CD1 4.44Å; L603-W618 HydrophobicContact CD1-CZ2 4.34Å; L603-L632 HydrophobicContact CD1-CD2 3.64Å; L603-A637 HydrophobicContact CD1-CB 3.55Å; L603-Y640 HydrophobicContact CD2-CD1 3.81Å; L603-Y640 HydrophobicContact CD2-CE1 3.83Å; L603-Y640 HydrophobicContact CD2-CG 4.22Å; L603-Y640 WeakPolarHBondContact O-CD2 3.37Å; L603-F641 HydrophobicContact CD1-CE2 4.28Å; L603-F641 HydrophobicContact CD1-CZ 3.84Å; L603-F641 HydrophobicContact CD2-CE1 4.04Å; L603-F641 HydrophobicContact CD2-CZ 3.92Å |
| 604 | Q | 91.7 | Very high | 91.5 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.4 | 173.5 | -60.2 | 176.9 | -9.5 | 0 | 0 | 112.4 | R601 L602 | R601-Q604 WeakPolarHBondContact O-CB 3.39Å; R601-Q604 PolarHBondContact O-N 3.17Å; L602-Q604 PolarHBondContact O-N 2.7Å |
| 605 | S | 90.3 | Very high | 91.7 | Very high | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -70.6 | 138.8 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | L602 L603 A607 | L602-S605 WeakPolarHBondContact O-CB 3.46Å; L602-S605 PolarHBondContact O-N 3.11Å; L603-S605 PolarHBondContact O-N 3.13Å; S605-A607 PolarHBondContact OG-N 3.2Å | ||
| 606 | V | 89 | Confident | 91.9 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 84% | 0.842 | 26% | 0.262 | S | S | * | . | trans | -86.7 | -5.4 | 174.3 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | K608 | V606-K608 PolarHBondContact O-N 3.08Š| ||
| 607 | A | 90.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | trans | -67.5 | 119.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S605 E609 L610 | S605-A607 PolarHBondContact OG-N 3.2Å; A607-E609 HydrophobicContact CB-CG 4.29Å; A607-E609 PolarHBondContact O-N 2.94Å; A607-L610 HydrophobicContact CB-CD1 4.02Å; A607-L610 HydrophobicContact CB-CG 4.04Å; A607-L610 PolarHBondContact O-N 3.07Å | ||
| 608 | K | 89.3 | Confident | 92.4 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 55% | 0.548 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -66.6 | -35.5 | -177 | -69.5 | -167 | 174.7 | -159.2 | 0 | 113 | V606 L610 R611 D647 | V606-K608 PolarHBondContact O-N 3.08Å; K608-L610 PolarHBondContact O-N 2.87Å; K608-L610 VanDerWaalsContact O-N 3.14Å; K608-R611 WeakPolarHBondContact O-CB 3.5Å; K608-R611 PolarHBondContact O-N 3.49Å; K608-D647 IonicContact NZ-OD2 2.95Å |
| 609 | E | 89.3 | Confident | 92.6 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 61% | 0.612 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -58 | -24.7 | 178.7 | 66.8 | -165.3 | -171.7 | 0 | 0 | 113.6 | V570 A607 | V570-E609 HydrophobicContact CG2-CG 4.29Å; A607-E609 HydrophobicContact CB-CG 4.29Å; A607-E609 PolarHBondContact O-N 2.94Å |
| 610 | L | 91.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -82.7 | -19 | 179.7 | -56 | -178.9 | 0 | 0 | 0 | 113.1 | V570 L573 A607 K608 V613 L614 | V570-L610 HydrophobicContact CG2-CD2 3.92Å; L573-L610 HydrophobicContact CD1-CD2 3.85Å; A607-L610 HydrophobicContact CB-CD1 4.02Å; A607-L610 HydrophobicContact CB-CG 4.04Å; A607-L610 PolarHBondContact O-N 3.07Å; K608-L610 PolarHBondContact O-N 2.87Å; K608-L610 VanDerWaalsContact O-N 3.14Å; L610-V613 PolarHBondContact O-N 3.46Å; L610-L614 HydrophobicContact CB-CD1 3.68Å; L610-L614 HydrophobicContact CB-CG 4.18Å; L610-L614 HydrophobicContact CD1-CD1 4.4Å; L610-L614 VanDerWaalsContact O-CB 3.28Å; L610-L614 WeakPolarHBondContact O-CB 3.3Å; L610-L614 WeakPolarHBondContact O-CG 3.41Å; L610-L614 PolarHBondContact O-N 3.01Å |
| 611 | R | 92.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | -171.2 | -66.4 | 176.7 | -176.6 | 175.7 | -2 | 114 | K608 V613 T615 Y640 Y644 D647 | K608-R611 WeakPolarHBondContact O-CB 3.5Å; K608-R611 PolarHBondContact O-N 3.49Å; R611-V613 VanDerWaalsContact C-N 3.34Å; R611-V613 PolarHBondContact O-N 3.32Å; R611-T615 WeakPolarHBondContact O-CB 3.39Å; R611-T615 PolarHBondContact O-N 3.12Å; R611-T615 PolarHBondContact O-OG1 3.22Å; R611-Y640 VanDerWaalsContact CA-OH 3.22Å; R611-Y640 WeakPolarHBondContact CA-OH 3.46Å; R611-Y640 HydrophobicContact CG-CE1 4.25Å; R611-Y640 HydrophobicContact CG-CE2 4.33Å; R611-Y640 VanDerWaalsContact CG-OH 3.31Å; R611-Y640 WeakPolarHBondContact CG-OH 3.32Å; R611-Y640 PolarHBondContact N-OH 3.29Å; R611-Y644 HydrophobicContact CB-CD1 4.39Å; R611-Y644 HydrophobicContact CB-CD2 3.84Å; R611-Y644 HydrophobicContact CB-CE2 3.98Å; R611-Y644 HydrophobicContact CB-CG 4.07Å; R611-Y644 HydrophobicContact CG-CD2 4.45Å; R611-D647 IonicContact NH1-OD2 3.68Å; R611-D647 PolarHBondContact NH1-OD2 3.27Å |
| 612 | P | 92.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 35 Ų | 35 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | -178.6 | -20.3 | 32.6 | 0 | 0 | 0 | 110.9 | F616 L1153 | P612-F616 WeakPolarHBondContact O-CB 3.41Å; P612-F616 PolarHBondContact O-N 2.95Å; P612-L1153 HydrophobicContact CB-CD2 4.03Å |
| 613 | V | 92.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.9 | -44.7 | -174.3 | -165 | 0 | 0 | 0 | 0 | 111.9 | L573 E574 S577 L610 R611 F616 I617 | L573-V613 HydrophobicContact CB-CB 4.36Å; L573-V613 HydrophobicContact CB-CG1 3.55Å; L573-V613 WeakPolarHBondContact O-CG1 3.13Å; E574-V613 HydrophobicContact CG-CG1 4.47Å; E574-V613 HydrophobicContact CG-CG2 4.08Å; S577-V613 WeakPolarHBondContact OG-CG1 3.39Å; S577-V613 PolarHBondContact OG-O 2.93Å; L610-V613 PolarHBondContact O-N 3.46Å; R611-V613 VanDerWaalsContact C-N 3.34Å; R611-V613 PolarHBondContact O-N 3.32Å; V613-F616 PolarHBondContact O-N 3.25Å; V613-I617 HydrophobicContact CG1-CD1 4.33Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.44Å; V613-I617 PolarHBondContact O-N 3.41Å |
| 614 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 177.2 | -72.7 | 175.2 | 0 | 0 | 0 | 112.1 | L573 V599 L602 L603 L610 F616 I617 W618 | L573-L614 HydrophobicContact CD1-CD2 4.12Å; L573-L614 HydrophobicContact CD1-CG 4.41Å; L573-L614 HydrophobicContact CD2-CD2 3.93Å; V599-L614 HydrophobicContact CG1-CD2 3.9Å; L602-L614 HydrophobicContact CB-CD1 3.94Å; L602-L614 HydrophobicContact CB-CD2 3.94Å; L602-L614 HydrophobicContact CD1-CD2 4.22Å; L603-L614 HydrophobicContact CD2-CB 4.24Å; L603-L614 HydrophobicContact CD2-CD1 4.44Å; L610-L614 HydrophobicContact CB-CD1 3.68Å; L610-L614 HydrophobicContact CB-CG 4.18Å; L610-L614 HydrophobicContact CD1-CD1 4.4Å; L610-L614 VanDerWaalsContact O-CB 3.28Å; L610-L614 WeakPolarHBondContact O-CB 3.3Å; L610-L614 WeakPolarHBondContact O-CG 3.41Å; L610-L614 PolarHBondContact O-N 3.01Å; L614-F616 VanDerWaalsContact C-N 3.29Å; L614-F616 PolarHBondContact O-N 3.37Å; L614-I617 PolarHBondContact O-N 2.94Å; L614-W618 VanDerWaalsContact O-CD1 3.22Å; L614-W618 PolarHBondContact O-N 3.15Å |
| 615 | T | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | R611 W618 A619 F641 Y644 V657 P658 V661 | R611-T615 WeakPolarHBondContact O-CB 3.39Å; R611-T615 PolarHBondContact O-N 3.12Å; R611-T615 PolarHBondContact O-OG1 3.22Å; T615-W618 PolarHBondContact O-N 3.25Å; T615-A619 PolarHBondContact O-N 2.83Å; T615-F641 HydrophobicContact CG2-CD1 3.81Å; T615-F641 HydrophobicContact CG2-CE1 4.21Å; T615-Y644 HydrophobicContact CG2-CD1 4.04Å; T615-Y644 HydrophobicContact CG2-CE1 4.21Å; T615-Y644 VanDerWaalsContact OG1-CD1 3.32Å; T615-Y644 WeakPolarHBondContact OG1-CD1 3.16Å; T615-V657 HydrophobicContact CG2-CB 4.23Å; T615-V657 HydrophobicContact CG2-CG1 3.87Å; T615-P658 HydrophobicContact CG2-CB 3.87Å; T615-P658 HydrophobicContact CG2-CG 4.45Å; T615-V661 HydrophobicContact CG2-CG2 4.16Å |
| 616 | F | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.5 | -171.5 | -91.4 | 0 | 0 | 0 | 113 | D581 P612 V613 L614 W618 A619 K620 V657 V1148 I1149 L1152 L1153 | D581-F616 HydrophobicContact CB-CE1 4.16Å; D581-F616 HydrophobicContact CB-CZ 4.14Å; D581-F616 WeakPolarHBondContact OD1-CZ 3.42Å; P612-F616 WeakPolarHBondContact O-CB 3.41Å; P612-F616 PolarHBondContact O-N 2.95Å; V613-F616 PolarHBondContact O-N 3.25Å; L614-F616 VanDerWaalsContact C-N 3.29Å; L614-F616 PolarHBondContact O-N 3.37Å; F616-W618 VanDerWaalsContact C-N 3.28Å; F616-W618 PolarHBondContact O-N 3.5Å; F616-A619 WeakPolarHBondContact O-CB 3.5Å; F616-A619 PolarHBondContact O-N 3.28Å; F616-A619 VanDerWaalsContact O-N 3.13Å; F616-K620 HydrophobicContact CD1-CG 4.22Å; F616-K620 HydrophobicContact CE1-CD 4.45Å; F616-K620 HydrophobicContact CE1-CG 3.82Å; F616-K620 HydrophobicContact CZ-CD 4.47Å; F616-K620 VanDerWaalsContact CZ-CE 3.42Å; F616-K620 HydrophobicContact CZ-CG 4.26Å; F616-K620 PolarHBondContact O-N 2.92Å; F616-V657 HydrophobicContact CB-CG1 4.46Å; F616-V657 HydrophobicContact CD2-CG1 4.48Å; F616-V1148 HydrophobicContact CE2-CG2 4.08Å; F616-V1148 HydrophobicContact CZ-CG2 4.33Å; F616-I1149 HydrophobicContact CD1-CD1 4.32Å; F616-I1149 HydrophobicContact CE1-CB 4.2Å; F616-I1149 HydrophobicContact CE1-CD1 3.89Å; F616-I1149 HydrophobicContact CE1-CG1 4Å; F616-I1149 HydrophobicContact CE2-CB 4.04Å; F616-I1149 HydrophobicContact CE2-CG1 4.02Å; F616-I1149 HydrophobicContact CZ-CB 3.57Å; F616-I1149 HydrophobicContact CZ-CD1 4.13Å; F616-I1149 HydrophobicContact CZ-CG1 3.72Å; F616-L1152 HydrophobicContact CE2-CD1 4.43Å; F616-L1153 HydrophobicContact CB-CD1 4.4Å; F616-L1153 HydrophobicContact CD2-CD1 4.24Å; F616-L1153 HydrophobicContact CG-CD1 4.28Å |
| 617 | I | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.6 | -46.1 | 174.9 | -69.3 | 162.4 | 0 | 0 | 0 | 110.4 | L573 L576 S577 L580 V599 V613 L614 A619 K620 V621 | L573-I617 HydrophobicContact CB-CD1 4.38Å; L573-I617 HydrophobicContact CD2-CD1 3.56Å; L576-I617 HydrophobicContact CD2-CD1 3.99Å; L576-I617 HydrophobicContact CG-CD1 4.32Å; S577-I617 WeakPolarHBondContact OG-CG1 3.47Å; L580-I617 HydrophobicContact CD1-CB 4.1Å; L580-I617 HydrophobicContact CD1-CG1 3.94Å; L580-I617 HydrophobicContact CD1-CG2 3.67Å; V599-I617 HydrophobicContact CG1-CB 4.43Å; V599-I617 HydrophobicContact CG1-CG2 3.72Å; V599-I617 HydrophobicContact CG2-CG2 4.39Å; V613-I617 HydrophobicContact CG1-CD1 4.33Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.44Å; V613-I617 PolarHBondContact O-N 3.41Å; L614-I617 PolarHBondContact O-N 2.94Å; I617-A619 PolarHBondContact O-N 3.39Å; I617-K620 PolarHBondContact O-N 3.01Å; I617-V621 HydrophobicContact CG2-CG2 4.35Å; I617-V621 WeakPolarHBondContact O-CG2 3.3Å; I617-V621 PolarHBondContact O-N 3.13Å |
| 618 | W | 95.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.6 | -32.2 | 178.8 | -81.1 | 108.5 | 0 | 0 | 0 | 113.7 | F596 V599 L600 L603 L614 T615 F616 V621 L622 C628 L632 F641 V661 | F596-W618 AromaticContact CD2-CH2 3.96Å; F596-W618 HydrophobicContact CD2-CH2 3.96Å; F596-W618 HydrophobicContact CD2-CZ3 4.42Å; F596-W618 AromaticContact CE2-CH2 3.49Å; F596-W618 HydrophobicContact CE2-CH2 3.49Å; F596-W618 VanDerWaalsContact CE2-CH2 3.49Å; F596-W618 AromaticContact CE2-CZ3 3.88Å; F596-W618 HydrophobicContact CE2-CZ3 3.88Å; F596-W618 HydrophobicContact CZ-CH2 4.14Å; V599-W618 HydrophobicContact CG1-CZ2 4.44Å; L600-W618 HydrophobicContact CB-CH2 4.43Å; L600-W618 HydrophobicContact CB-CZ2 3.94Å; L600-W618 HydrophobicContact CD1-CH2 4.23Å; L600-W618 HydrophobicContact CD1-CZ2 3.95Å; L603-W618 HydrophobicContact CD1-CZ2 4.34Å; L614-W618 VanDerWaalsContact O-CD1 3.22Å; L614-W618 PolarHBondContact O-N 3.15Å; T615-W618 PolarHBondContact O-N 3.25Å; F616-W618 VanDerWaalsContact C-N 3.28Å; F616-W618 PolarHBondContact O-N 3.5Å; W618-V621 HydrophobicContact CE3-CB 4.22Å; W618-V621 HydrophobicContact CE3-CG1 4.13Å; W618-V621 HydrophobicContact CZ3-CG1 4Å; W618-V621 PolarHBondContact O-N 2.84Å; W618-L622 HydrophobicContact CE3-CG 4.5Å; W618-L622 WeakPolarHBondContact O-CB 3.31Å; W618-L622 WeakPolarHBondContact O-CG 3.42Å; W618-L622 PolarHBondContact O-N 3.44Å; W618-C628 HydrophobicContact CZ3-CB 4.07Å; W618-L632 HydrophobicContact CD2-CD1 4.32Å; W618-L632 HydrophobicContact CD2-CD2 3.9Å; W618-L632 HydrophobicContact CE3-CD1 3.66Å; W618-L632 HydrophobicContact CE3-CD2 3.94Å; W618-L632 HydrophobicContact CE3-CG 4.21Å; W618-L632 HydrophobicContact CH2-CD1 4.32Å; W618-L632 HydrophobicContact CH2-CD2 3.68Å; W618-L632 HydrophobicContact CH2-CG 4.03Å; W618-L632 HydrophobicContact CZ2-CD2 3.67Å; W618-L632 HydrophobicContact CZ3-CD1 3.66Å; W618-L632 HydrophobicContact CZ3-CD2 3.83Å; W618-L632 HydrophobicContact CZ3-CG 3.88Å; W618-F641 HydrophobicContact CB-CE1 4.21Å; W618-F641 HydrophobicContact CB-CZ 3.88Å; W618-F641 AromaticContact CD1-CZ 3.76Å; W618-F641 HydrophobicContact CG-CE1 4.39Å; W618-F641 AromaticContact CG-CZ 3.8Å; W618-F641 HydrophobicContact CG-CZ 3.8Å; W618-V661 HydrophobicContact CB-CG2 4.41Å |
| 619 | A | 95 | Very high | 92 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | T615 F616 I617 A623 V657 F660 V661 F1144 | T615-A619 PolarHBondContact O-N 2.83Å; F616-A619 WeakPolarHBondContact O-CB 3.5Å; F616-A619 PolarHBondContact O-N 3.28Å; F616-A619 VanDerWaalsContact O-N 3.13Å; I617-A619 PolarHBondContact O-N 3.39Å; A619-A623 VanDerWaalsContact O-CB 3.25Å; A619-A623 WeakPolarHBondContact O-CB 3.12Å; A619-A623 PolarHBondContact O-N 3.26Å; A619-V657 HydrophobicContact CB-CG1 3.61Å; A619-F660 HydrophobicContact CB-CD1 3.65Å; A619-F660 HydrophobicContact CB-CE1 3.99Å; A619-F660 VanDerWaalsContact O-CE1 3.23Å; A619-F660 WeakPolarHBondContact O-CE1 3.47Å; A619-V661 HydrophobicContact CB-CG2 3.77Å; A619-F1144 HydrophobicContact CB-CD1 4.25Å |
| 620 | K | 94.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 1% | 0.013 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | -67.4 | -64.9 | -179.7 | 171.1 | 0 | 113.2 | L580 D581 V587 F616 I617 V624 F1144 L1146 | L580-K620 HydrophobicContact CB-CB 4.05Å; L580-K620 HydrophobicContact CB-CG 4.13Å; D581-K620 WeakPolarHBondContact OD1-CE 3.5Å; D581-K620 IonicContact OD1-NZ 3.32Å; D581-K620 PolarHBondContact OD1-NZ 2.91Å; V587-K620 HydrophobicContact CG2-CB 4.21Å; F616-K620 HydrophobicContact CD1-CG 4.22Å; F616-K620 HydrophobicContact CE1-CD 4.45Å; F616-K620 HydrophobicContact CE1-CG 3.82Å; F616-K620 HydrophobicContact CZ-CD 4.47Å; F616-K620 VanDerWaalsContact CZ-CE 3.42Å; F616-K620 HydrophobicContact CZ-CG 4.26Å; F616-K620 PolarHBondContact O-N 2.92Å; I617-K620 PolarHBondContact O-N 3.01Å; K620-V624 WeakPolarHBondContact O-CG2 3.38Å; K620-V624 PolarHBondContact O-N 3.34Å; K620-F1144 VanDerWaalsContact CD-O 3.27Å; K620-F1144 WeakPolarHBondContact CD-O 3.26Å; K620-F1144 WeakPolarHBondContact CE-O 3.45Å; K620-F1144 PolarHBondContact NZ-O 2.85Å; K620-L1146 PolarHBondContact NZ-O 3.48Å |
| 621 | V | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111 | V587 L591 I617 W618 A623 V624 D625 | V587-V621 HydrophobicContact CG1-CG2 4.28Å; L591-V621 HydrophobicContact CD2-CG1 4.4Å; L591-V621 HydrophobicContact CD2-CG2 4.43Å; I617-V621 HydrophobicContact CG2-CG2 4.35Å; I617-V621 WeakPolarHBondContact O-CG2 3.3Å; I617-V621 PolarHBondContact O-N 3.13Å; W618-V621 HydrophobicContact CE3-CB 4.22Å; W618-V621 HydrophobicContact CE3-CG1 4.13Å; W618-V621 HydrophobicContact CZ3-CG1 4Å; W618-V621 PolarHBondContact O-N 2.84Å; V621-A623 VanDerWaalsContact C-N 3.35Å; V621-A623 PolarHBondContact O-N 3.49Å; V621-V624 PolarHBondContact O-N 3.38Å; V621-D625 PolarHBondContact O-N 3.46Å |
| 622 | L | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.2 | -31.5 | -178.9 | -72 | 170.3 | 0 | 0 | 0 | 112.8 | W618 V624 N626 C628 Q629 L632 V661 A664 L665 | W618-L622 HydrophobicContact CE3-CG 4.5Å; W618-L622 WeakPolarHBondContact O-CB 3.31Å; W618-L622 WeakPolarHBondContact O-CG 3.42Å; W618-L622 PolarHBondContact O-N 3.44Å; L622-V624 PolarHBondContact O-N 2.96Å; L622-N626 PolarHBondContact O-OD1 3.31Å; L622-C628 HydrophobicContact CD2-CB 4.14Å; L622-Q629 HydrophobicContact CD2-CG 4.39Å; L622-L632 HydrophobicContact CD1-CD1 3.98Å; L622-L632 HydrophobicContact CD2-CD1 3.98Å; L622-L632 HydrophobicContact CG-CD1 4.27Å; L622-V661 HydrophobicContact CD1-CG1 3.9Å; L622-A664 HydrophobicContact CB-CB 3.99Å; L622-A664 HydrophobicContact CD1-CB 4.15Å; L622-L665 HydrophobicContact CD1-CG 4.31Å |
| 623 | A | 90.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 5% | 0.05 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A619 V621 F660 V1141 F1144 K1145 | A619-A623 VanDerWaalsContact O-CB 3.25Å; A619-A623 WeakPolarHBondContact O-CB 3.12Å; A619-A623 PolarHBondContact O-N 3.26Å; V621-A623 VanDerWaalsContact C-N 3.35Å; V621-A623 PolarHBondContact O-N 3.49Å; A623-F660 HydrophobicContact CB-CE1 4.29Å; A623-F660 HydrophobicContact CB-CZ 3.81Å; A623-V1141 HydrophobicContact CB-CG1 4.33Å; A623-F1144 HydrophobicContact CB-CB 3.86Å; A623-K1145 HydrophobicContact CB-CG 3.97Å; A623-K1145 WeakPolarHBondContact O-CE 3.49Å |
| 624 | V | 88.4 | Confident | 92.6 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 20% | 0.2 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -92.6 | -44.9 | 180 | 178 | 0 | 0 | 0 | 0 | 112.1 | P584 V587 K620 V621 L622 K1145 | P584-V624 HydrophobicContact CB-CG1 4.38Å; P584-V624 HydrophobicContact CB-CG2 3.9Å; P584-V624 HydrophobicContact CG-CG2 4.19Å; V587-V624 HydrophobicContact CB-CB 4.47Å; V587-V624 HydrophobicContact CB-CG2 4.02Å; V587-V624 HydrophobicContact CG1-CB 4.05Å; V587-V624 HydrophobicContact CG1-CG1 4.33Å; V587-V624 HydrophobicContact CG1-CG2 4.07Å; V587-V624 HydrophobicContact CG2-CG2 3.98Å; K620-V624 WeakPolarHBondContact O-CG2 3.38Å; K620-V624 PolarHBondContact O-N 3.34Å; V621-V624 PolarHBondContact O-N 3.38Å; L622-V624 PolarHBondContact O-N 2.96Å; V624-K1145 HydrophobicContact CG2-CG 4.44Å |
| 625 | D | 87.7 | Confident | 92.5 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | trans | -136.7 | 97.9 | -173.6 | -175.2 | 8.6 | 0 | 0 | 0 | 112.9 | W49 R50 V621 S627 C628 | W49-D625 VanDerWaalsContact CZ2-OD2 3.25Å; W49-D625 WeakPolarHBondContact CZ2-OD2 3.43Å; W49-D625 PolarHBondContact NE1-OD2 2.85Å; R50-D625 IonicContact NE-OD2 2.64Å; V621-D625 PolarHBondContact O-N 3.46Å; D625-S627 PolarHBondContact O-N 3.33Å; D625-S627 VanDerWaalsContact OD1-CB 3.27Å; D625-S627 WeakPolarHBondContact OD1-CB 3.33Å; D625-S627 PolarHBondContact OD1-N 3.07Å; D625-S627 PolarHBondContact OD1-OG 3.38Å; D625-S627 PolarHBondContact OD2-OG 3.16Å; D625-C628 PolarHBondContact O-SG 2.77Å | ||
| 626 | N | 87.8 | Confident | 92.5 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -68 | -16.1 | 176.6 | -80.8 | -21.5 | 0 | 0 | 0 | 113.8 | L622 C628 Q629 Q667 | L622-N626 PolarHBondContact O-OD1 3.31Å; N626-C628 PolarHBondContact O-N 3.28Å; N626-Q629 WeakPolarHBondContact O-CB 3.29Å; N626-Q629 WeakPolarHBondContact O-CG 3.49Å; N626-Q629 PolarHBondContact O-N 2.92Å; N626-Q629 VanDerWaalsContact O-N 3.1Å; N626-Q629 PolarHBondContact O-OE1 3.05Å; N626-Q667 PolarHBondContact ND2-OE1 3.06Å |
| 627 | S | 86.2 | Confident | 92.5 | Very high | 48 Ų | 48 | 32 Ų | 32 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -64.4 | -14.8 | -177.9 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | R50 D625 Q629 | R50-S627 VanDerWaalsContact CZ-CB 3.5Å; R50-S627 PolarHBondContact NE-OG 2.94Å; R50-S627 PolarHBondContact NH2-O 3.34Å; R50-S627 PolarHBondContact NH2-OG 3.17Å; D625-S627 PolarHBondContact O-N 3.33Å; D625-S627 VanDerWaalsContact OD1-CB 3.27Å; D625-S627 WeakPolarHBondContact OD1-CB 3.33Å; D625-S627 PolarHBondContact OD1-N 3.07Å; D625-S627 PolarHBondContact OD1-OG 3.38Å; D625-S627 PolarHBondContact OD2-OG 3.16Å; S627-Q629 PolarHBondContact O-N 2.99Å |
| 628 | C | 89.4 | Confident | 92.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -70 | -10.6 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | F596 W618 L622 D625 N626 F630 E631 L632 | F596-C628 HydrophobicContact CE2-CB 3.88Å; F596-C628 HydrophobicContact CZ-CB 4.45Å; W618-C628 HydrophobicContact CZ3-CB 4.07Å; L622-C628 HydrophobicContact CD2-CB 4.14Å; D625-C628 PolarHBondContact O-SG 2.77Å; N626-C628 PolarHBondContact O-N 3.28Å; C628-F630 VanDerWaalsContact C-N 3.25Å; C628-F630 PolarHBondContact O-N 3.5Å; C628-E631 PolarHBondContact O-N 3.47Å; C628-L632 WeakPolarHBondContact O-CG 3.23Å; C628-L632 PolarHBondContact O-N 2.99Å |
| 629 | Q | 93.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.3 | -40.2 | 179.2 | -74.1 | 163.5 | -15.2 | 0 | 0 | 112.7 | L622 N626 S627 L632 V633 A664 L665 Q667 F669 | L622-Q629 HydrophobicContact CD2-CG 4.39Å; N626-Q629 WeakPolarHBondContact O-CB 3.29Å; N626-Q629 WeakPolarHBondContact O-CG 3.49Å; N626-Q629 PolarHBondContact O-N 2.92Å; N626-Q629 VanDerWaalsContact O-N 3.1Å; N626-Q629 PolarHBondContact O-OE1 3.05Å; S627-Q629 PolarHBondContact O-N 2.99Å; Q629-L632 PolarHBondContact O-N 3.35Å; Q629-V633 WeakPolarHBondContact O-CG2 2.98Å; Q629-V633 PolarHBondContact O-N 2.89Å; Q629-A664 PolarHBondContact NE2-O 2.93Å; Q629-L665 HydrophobicContact CG-CD2 4.5Å; Q629-Q667 PolarHBondContact NE2-O 3.17Å; Q629-F669 HydrophobicContact CB-CD1 3.8Å; Q629-F669 HydrophobicContact CB-CE1 3.96Å; Q629-F669 HydrophobicContact CB-CG 4.25Å; Q629-F669 HydrophobicContact CG-CD1 4.44Å |
| 630 | F | 91.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 35.8 Ų | 35.8 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -50.2 | -175.5 | 176.2 | -99.7 | 0 | 0 | 0 | 111.9 | C628 L632 V633 K634 F669 | C628-F630 VanDerWaalsContact C-N 3.25Å; C628-F630 PolarHBondContact O-N 3.5Å; F630-L632 VanDerWaalsContact C-N 3.35Å; F630-L632 PolarHBondContact O-N 3.05Å; F630-V633 PolarHBondContact O-N 3.36Å; F630-K634 HydrophobicContact CE1-CD 4.16Å; F630-K634 HydrophobicContact CZ-CD 4.43Å; F630-K634 WeakPolarHBondContact O-CB 3.22Å; F630-K634 PolarHBondContact O-N 3.47Å; F630-F669 HydrophobicContact CB-CZ 4.34Å; F630-F669 HydrophobicContact CD2-CZ 4.4Å |
| 631 | E | 92.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 179.6 | -65.6 | 84.2 | 174.2 | 0 | 0 | 111.7 | R50 F596 L600 C628 D635 | R50-E631 IonicContact NH1-OE1 3.96Å; R50-E631 IonicContact NH2-OE1 3.81Å; R50-E631 IonicContact NH2-OE2 3.52Å; F596-E631 HydrophobicContact CE1-CB 4.39Å; F596-E631 HydrophobicContact CE1-CG 4.2Å; F596-E631 HydrophobicContact CZ-CB 3.98Å; F596-E631 HydrophobicContact CZ-CG 4.07Å; L600-E631 HydrophobicContact CD2-CB 4.05Å; C628-E631 PolarHBondContact O-N 3.47Å; E631-D635 PolarHBondContact O-N 3Å; E631-D635 VanDerWaalsContact O-N 3.07Å |
| 632 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 177.7 | -73.8 | 170 | 0 | 0 | 0 | 112.2 | L600 L603 W618 L622 C628 Q629 F630 D635 N636 A637 F641 L665 | L600-L632 HydrophobicContact CD1-CD2 3.78Å; L600-L632 HydrophobicContact CD1-CG 4.49Å; L603-L632 HydrophobicContact CD1-CD2 3.64Å; W618-L632 HydrophobicContact CD2-CD1 4.32Å; W618-L632 HydrophobicContact CD2-CD2 3.9Å; W618-L632 HydrophobicContact CE3-CD1 3.66Å; W618-L632 HydrophobicContact CE3-CD2 3.94Å; W618-L632 HydrophobicContact CE3-CG 4.21Å; W618-L632 HydrophobicContact CH2-CD1 4.32Å; W618-L632 HydrophobicContact CH2-CD2 3.68Å; W618-L632 HydrophobicContact CH2-CG 4.03Å; W618-L632 HydrophobicContact CZ2-CD2 3.67Å; W618-L632 HydrophobicContact CZ3-CD1 3.66Å; W618-L632 HydrophobicContact CZ3-CD2 3.83Å; W618-L632 HydrophobicContact CZ3-CG 3.88Å; L622-L632 HydrophobicContact CD1-CD1 3.98Å; L622-L632 HydrophobicContact CD2-CD1 3.98Å; L622-L632 HydrophobicContact CG-CD1 4.27Å; C628-L632 WeakPolarHBondContact O-CG 3.23Å; C628-L632 PolarHBondContact O-N 2.99Å; Q629-L632 PolarHBondContact O-N 3.35Å; F630-L632 VanDerWaalsContact C-N 3.35Å; F630-L632 PolarHBondContact O-N 3.05Å; L632-D635 PolarHBondContact O-N 2.96Å; L632-N636 PolarHBondContact O-N 3.46Å; L632-A637 HydrophobicContact CB-CB 3.97Å; L632-A637 HydrophobicContact CD2-CB 3.56Å; L632-A637 HydrophobicContact CG-CB 4.41Å; L632-A637 WeakPolarHBondContact O-CB 2.92Å; L632-A637 PolarHBondContact O-N 2.98Å; L632-F641 HydrophobicContact CD2-CE2 4.43Å; L632-L665 HydrophobicContact CB-CD2 3.69Å; L632-L665 HydrophobicContact CD1-CD2 3.61Å; L632-L665 HydrophobicContact CG-CD2 4.31Å |
| 633 | V | 94.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 180 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | Q629 F630 D635 N636 L665 F669 A675 | Q629-V633 WeakPolarHBondContact O-CG2 2.98Å; Q629-V633 PolarHBondContact O-N 2.89Å; F630-V633 PolarHBondContact O-N 3.36Å; V633-D635 VanDerWaalsContact C-N 3.29Å; V633-D635 PolarHBondContact O-N 3.5Å; V633-N636 PolarHBondContact O-N 3.47Å; V633-L665 HydrophobicContact CG2-CD2 4.27Å; V633-F669 HydrophobicContact CB-CE1 4.1Å; V633-F669 HydrophobicContact CG2-CD1 4.39Å; V633-F669 HydrophobicContact CG2-CE1 3.79Å; V633-A675 HydrophobicContact CG1-CB 3.91Å |
| 634 | K | 93.8 | Very high | 93.1 | Very high | 144 Ų | 144 | 43.3 Ų | 43.3 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57 | -40.2 | 176.1 | -179.1 | -177 | 174.8 | -175.2 | 0 | 112.9 | F630 N636 | F630-K634 HydrophobicContact CE1-CD 4.16Å; F630-K634 HydrophobicContact CZ-CD 4.43Å; F630-K634 WeakPolarHBondContact O-CB 3.22Å; F630-K634 PolarHBondContact O-N 3.47Å; K634-N636 VanDerWaalsContact C-N 3.28Å; K634-N636 PolarHBondContact O-N 2.93Å |
| 635 | D | 92.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 12.4 | 179.5 | -74.8 | 4.1 | 0 | 0 | 0 | 113.2 | E631 L632 V633 A637 | E631-D635 PolarHBondContact O-N 3Å; E631-D635 VanDerWaalsContact O-N 3.07Å; L632-D635 PolarHBondContact O-N 2.96Å; V633-D635 VanDerWaalsContact C-N 3.29Å; V633-D635 PolarHBondContact O-N 3.5Å; D635-A637 PolarHBondContact O-N 3.24Å |
| 636 | N | 94.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 45.1 Ų | 45.1 | 51% | 0.508 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 28.5 | -178.6 | -58.7 | -60.9 | 0 | 0 | 0 | 114.8 | L632 V633 K634 H638 L639 | L632-N636 PolarHBondContact O-N 3.46Å; V633-N636 PolarHBondContact O-N 3.47Å; K634-N636 VanDerWaalsContact C-N 3.28Å; K634-N636 PolarHBondContact O-N 2.93Å; N636-H638 PolarHBondContact O-N 3.28Å; N636-L639 HydrophobicContact CB-CD1 4.12Å; N636-L639 HydrophobicContact CB-CG 4.49Å; N636-L639 WeakPolarHBondContact O-CB 3.44Å; N636-L639 PolarHBondContact O-N 2.99Å |
| 637 | A | 95.1 | Very high | 94 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -27.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L603 L632 D635 L639 Y640 F641 | L603-A637 HydrophobicContact CD1-CB 3.55Å; L632-A637 HydrophobicContact CB-CB 3.97Å; L632-A637 HydrophobicContact CD2-CB 3.56Å; L632-A637 HydrophobicContact CG-CB 4.41Å; L632-A637 WeakPolarHBondContact O-CB 2.92Å; L632-A637 PolarHBondContact O-N 2.98Å; D635-A637 PolarHBondContact O-N 3.24Å; A637-L639 PolarHBondContact O-N 3.21Å; A637-L639 VanDerWaalsContact O-N 3.15Å; A637-Y640 WeakPolarHBondContact O-CB 3.34Å; A637-Y640 PolarHBondContact O-N 3.48Å; A637-F641 HydrophobicContact CB-CE2 4.09Å; A637-F641 VanDerWaalsContact O-CD2 3.25Å; A637-F641 WeakPolarHBondContact O-CD2 3.37Å; A637-F641 PolarHBondContact O-N 2.95Å |
| 638 | H | 95.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.6 | -31.7 | 176.4 | 61.9 | -87.6 | 0 | 0 | 0 | 112.7 | N636 Y640 L642 L665 L676 | N636-H638 PolarHBondContact O-N 3.28Å; H638-Y640 VanDerWaalsContact C-N 3.33Å; H638-Y640 PolarHBondContact O-N 3.04Å; H638-L642 WeakPolarHBondContact O-CB 3.48Å; H638-L642 PolarHBondContact O-N 2.85Å; H638-L665 HydrophobicContact CB-CD1 4.15Å; H638-L676 HydrophobicContact CB-CD2 3.88Å |
| 639 | L | 96.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 174.8 | -59.8 | -179.9 | 0 | 0 | 0 | 112.6 | N636 A637 R643 V679 | N636-L639 HydrophobicContact CB-CD1 4.12Å; N636-L639 HydrophobicContact CB-CG 4.49Å; N636-L639 WeakPolarHBondContact O-CB 3.44Å; N636-L639 PolarHBondContact O-N 2.99Å; A637-L639 PolarHBondContact O-N 3.21Å; A637-L639 VanDerWaalsContact O-N 3.15Å; L639-R643 WeakPolarHBondContact O-CB 3.49Å; L639-R643 WeakPolarHBondContact O-CD 3.37Å; L639-R643 WeakPolarHBondContact O-CG 3.22Å; L639-R643 PolarHBondContact O-N 3.24Å; L639-V679 HydrophobicContact CD2-CG1 3.71Å |
| 640 | Y | 96.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 178.6 | -178.6 | -87.8 | 0 | 0 | 0 | 110.6 | L603 R611 A637 H638 R643 Y644 | L603-Y640 HydrophobicContact CD2-CD1 3.81Å; L603-Y640 HydrophobicContact CD2-CE1 3.83Å; L603-Y640 HydrophobicContact CD2-CG 4.22Å; L603-Y640 WeakPolarHBondContact O-CD2 3.37Å; R611-Y640 VanDerWaalsContact CA-OH 3.22Å; R611-Y640 WeakPolarHBondContact CA-OH 3.46Å; R611-Y640 HydrophobicContact CG-CE1 4.25Å; R611-Y640 HydrophobicContact CG-CE2 4.33Å; R611-Y640 VanDerWaalsContact CG-OH 3.31Å; R611-Y640 WeakPolarHBondContact CG-OH 3.32Å; R611-Y640 PolarHBondContact N-OH 3.29Å; A637-Y640 WeakPolarHBondContact O-CB 3.34Å; A637-Y640 PolarHBondContact O-N 3.48Å; H638-Y640 VanDerWaalsContact C-N 3.33Å; H638-Y640 PolarHBondContact O-N 3.04Å; Y640-R643 PolarHBondContact O-N 3.03Å; Y640-Y644 PolarHBondContact O-N 3.43Å |
| 641 | F | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -38.5 | -179.3 | -53.3 | -59.4 | 0 | 0 | 0 | 112 | L603 T615 W618 L632 A637 Y644 M645 P658 V661 L662 L665 | L603-F641 HydrophobicContact CD1-CE2 4.28Å; L603-F641 HydrophobicContact CD1-CZ 3.84Å; L603-F641 HydrophobicContact CD2-CE1 4.04Å; L603-F641 HydrophobicContact CD2-CZ 3.92Å; T615-F641 HydrophobicContact CG2-CD1 3.81Å; T615-F641 HydrophobicContact CG2-CE1 4.21Å; W618-F641 HydrophobicContact CB-CE1 4.21Å; W618-F641 HydrophobicContact CB-CZ 3.88Å; W618-F641 AromaticContact CD1-CZ 3.76Å; W618-F641 HydrophobicContact CG-CE1 4.39Å; W618-F641 AromaticContact CG-CZ 3.8Å; W618-F641 HydrophobicContact CG-CZ 3.8Å; L632-F641 HydrophobicContact CD2-CE2 4.43Å; A637-F641 HydrophobicContact CB-CE2 4.09Å; A637-F641 VanDerWaalsContact O-CD2 3.25Å; A637-F641 WeakPolarHBondContact O-CD2 3.37Å; A637-F641 PolarHBondContact O-N 2.95Å; F641-Y644 PolarHBondContact O-N 3.46Å; F641-M645 PolarHBondContact O-N 3.18Å; F641-P658 HydrophobicContact CB-CB 4.41Å; F641-V661 HydrophobicContact CB-CG1 4.41Å; F641-V661 HydrophobicContact CD1-CG1 3.94Å; F641-V661 HydrophobicContact CD2-CG1 3.46Å; F641-V661 VanDerWaalsContact CD2-CG1 3.46Å; F641-V661 HydrophobicContact CE1-CG1 4.02Å; F641-V661 HydrophobicContact CE2-CG1 3.54Å; F641-V661 HydrophobicContact CG-CB 4.47Å; F641-V661 HydrophobicContact CG-CG1 3.67Å; F641-V661 HydrophobicContact CZ-CG1 3.82Å; F641-L662 HydrophobicContact CB-CD1 4.42Å; F641-L662 HydrophobicContact CB-CD2 3.99Å; F641-L662 HydrophobicContact CB-CG 4Å; F641-L665 HydrophobicContact CD2-CD1 3.92Å; F641-L665 HydrophobicContact CE2-CD1 4.21Å |
| 642 | L | 96.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.8 | -177.8 | 59.6 | 0 | 0 | 0 | 111.6 | H638 Y644 M645 E646 L662 V679 Y681 V684 | H638-L642 WeakPolarHBondContact O-CB 3.48Å; H638-L642 PolarHBondContact O-N 2.85Å; L642-Y644 PolarHBondContact O-N 3.17Å; L642-M645 HydrophobicContact CD1-CE 3.81Å; L642-M645 PolarHBondContact O-N 2.9Å; L642-M645 VanDerWaalsContact O-N 3.12Å; L642-E646 HydrophobicContact CD1-CG 4.36Å; L642-E646 HydrophobicContact CG-CG 4.45Å; L642-E646 WeakPolarHBondContact O-CG 3.27Å; L642-E646 PolarHBondContact O-N 2.99Å; L642-L662 HydrophobicContact CB-CD1 4.49Å; L642-L662 HydrophobicContact CD1-CD1 4.48Å; L642-V679 HydrophobicContact CD2-CB 3.95Å; L642-V679 HydrophobicContact CD2-CG2 3.59Å; L642-Y681 HydrophobicContact CD1-CD2 4.11Å; L642-V684 HydrophobicContact CD1-CB 4.29Å; L642-V684 HydrophobicContact CD1-CG1 4.43Å; L642-V684 HydrophobicContact CD1-CG2 4.12Å |
| 643 | R | 95.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 53.4 Ų | 53.4 | 59% | 0.592 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.6 | -32 | 176.4 | -74.7 | 172.6 | -179 | 174.9 | 2 | 112.8 | L639 Y640 D647 | L639-R643 WeakPolarHBondContact O-CB 3.49Å; L639-R643 WeakPolarHBondContact O-CD 3.37Å; L639-R643 WeakPolarHBondContact O-CG 3.22Å; L639-R643 PolarHBondContact O-N 3.24Å; Y640-R643 PolarHBondContact O-N 3.03Å; R643-D647 PolarHBondContact O-N 3.33Å |
| 644 | Y | 94.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.3 | -41 | 174.7 | -177.8 | -142.6 | 0 | 0 | 0 | 111.3 | R611 T615 Y640 F641 L642 D647 V650 P658 | R611-Y644 HydrophobicContact CB-CD1 4.39Å; R611-Y644 HydrophobicContact CB-CD2 3.84Å; R611-Y644 HydrophobicContact CB-CE2 3.98Å; R611-Y644 HydrophobicContact CB-CG 4.07Å; R611-Y644 HydrophobicContact CG-CD2 4.45Å; T615-Y644 HydrophobicContact CG2-CD1 4.04Å; T615-Y644 HydrophobicContact CG2-CE1 4.21Å; T615-Y644 VanDerWaalsContact OG1-CD1 3.32Å; T615-Y644 WeakPolarHBondContact OG1-CD1 3.16Å; Y640-Y644 PolarHBondContact O-N 3.43Å; F641-Y644 PolarHBondContact O-N 3.46Å; L642-Y644 PolarHBondContact O-N 3.17Å; Y644-D647 PolarHBondContact O-N 3.29Å; Y644-V650 HydrophobicContact CD2-CG2 3.92Å; Y644-V650 HydrophobicContact CE2-CB 4.35Å; Y644-V650 HydrophobicContact CE2-CG1 3.84Å; Y644-V650 HydrophobicContact CE2-CG2 3.54Å; Y644-P658 HydrophobicContact CD1-CB 3.99Å; Y644-P658 HydrophobicContact CD1-CG 3.77Å; Y644-P658 HydrophobicContact CE1-CG 4.09Å |
| 645 | M | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.1 | -34.8 | 175.7 | -169.2 | 170.6 | 66.1 | 0 | 0 | 113.1 | F641 L642 D647 K655 P658 A659 L662 Y681 V684 L688 L701 | F641-M645 PolarHBondContact O-N 3.18Å; L642-M645 HydrophobicContact CD1-CE 3.81Å; L642-M645 PolarHBondContact O-N 2.9Å; L642-M645 VanDerWaalsContact O-N 3.12Å; M645-D647 VanDerWaalsContact C-N 3.32Å; M645-K655 WeakPolarHBondContact O-CD 3.23Å; M645-K655 VanDerWaalsContact O-CE 3.26Å; M645-K655 WeakPolarHBondContact O-CE 3.41Å; M645-K655 PolarHBondContact O-NZ 3.45Å; M645-P658 HydrophobicContact CB-CB 4.22Å; M645-P658 HydrophobicContact CB-CG 4.18Å; M645-A659 HydrophobicContact SD-CB 4.06Å; M645-L662 HydrophobicContact CE-CD1 3.52Å; M645-L662 HydrophobicContact SD-CD1 4.04Å; M645-Y681 HydrophobicContact CE-CD2 3.94Å; M645-Y681 HydrophobicContact CE-CE2 3.93Å; M645-V684 HydrophobicContact CE-CB 4.42Å; M645-V684 HydrophobicContact CE-CG1 3.77Å; M645-V684 HydrophobicContact CG-CG1 4.44Å; M645-L688 HydrophobicContact CG-CD1 3.73Å; M645-L688 HydrophobicContact SD-CD1 4.12Å; M645-L701 HydrophobicContact SD-CD2 4.13Å |
| 646 | E | 94.2 | Very high | 93.3 | Very high | 79 Ų | 79 | 44 Ų | 44 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.2 | -22 | 176 | -75.6 | 178.2 | 151.1 | 0 | 0 | 113.6 | L642 A648 V684 | L642-E646 HydrophobicContact CD1-CG 4.36Å; L642-E646 HydrophobicContact CG-CG 4.45Å; L642-E646 WeakPolarHBondContact O-CG 3.27Å; L642-E646 PolarHBondContact O-N 2.99Å; E646-A648 PolarHBondContact O-N 3.43Å; E646-A648 VanDerWaalsContact O-N 3.17Å; E646-V684 HydrophobicContact CG-CB 4.43Å; E646-V684 HydrophobicContact CG-CG1 3.99Å; E646-V684 HydrophobicContact CG-CG2 3.53Å; E646-V684 VanDerWaalsContact OE1-CG2 3.24Å; E646-V684 WeakPolarHBondContact OE1-CG2 3.3Å |
| 647 | D | 93.2 | Very high | 93.2 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | trans | -63.8 | 119.7 | -175.7 | -161.9 | -32.6 | 0 | 0 | 0 | 110.5 | K608 R611 R643 Y644 M645 S649 V650 K655 | K608-D647 IonicContact NZ-OD2 2.95Å; R611-D647 IonicContact NH1-OD2 3.68Å; R611-D647 PolarHBondContact NH1-OD2 3.27Å; R643-D647 PolarHBondContact O-N 3.33Å; Y644-D647 PolarHBondContact O-N 3.29Å; M645-D647 VanDerWaalsContact C-N 3.32Å; D647-S649 VanDerWaalsContact CG-OG 3.28Å; D647-S649 PolarHBondContact O-N 3.39Å; D647-S649 WeakPolarHBondContact OD1-CB 3.18Å; D647-S649 PolarHBondContact OD1-N 3.13Å; D647-S649 PolarHBondContact OD1-OG 3.03Å; D647-V650 HydrophobicContact CB-CG2 3.82Å; D647-V650 PolarHBondContact O-N 3.48Å; D647-K655 VanDerWaalsContact O-CE 3.28Å; D647-K655 WeakPolarHBondContact O-CE 3.42Å; D647-K655 PolarHBondContact O-NZ 3.37Å | ||
| 648 | A | 91.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 80% | 0.802 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E646 V650 | E646-A648 PolarHBondContact O-N 3.43Å; E646-A648 VanDerWaalsContact O-N 3.17Å; A648-V650 VanDerWaalsContact C-N 3.27Å; A648-V650 PolarHBondContact O-N 3.44Å |
| 649 | S | 91.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 67% | 0.671 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.3 | 176.8 | 63 | 0 | 0 | 0 | 0 | 113.7 | D647 | D647-S649 VanDerWaalsContact CG-OG 3.28Å; D647-S649 PolarHBondContact O-N 3.39Å; D647-S649 WeakPolarHBondContact OD1-CB 3.18Å; D647-S649 PolarHBondContact OD1-N 3.13Å; D647-S649 PolarHBondContact OD1-OG 3.03Å |
| 650 | V | 90.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90.4 | 132.9 | -176 | -179.7 | 0 | 0 | 0 | 0 | 110 | Y644 D647 A648 Q654 K655 | Y644-V650 HydrophobicContact CD2-CG2 3.92Å; Y644-V650 HydrophobicContact CE2-CB 4.35Å; Y644-V650 HydrophobicContact CE2-CG1 3.84Å; Y644-V650 HydrophobicContact CE2-CG2 3.54Å; D647-V650 HydrophobicContact CB-CG2 3.82Å; D647-V650 PolarHBondContact O-N 3.48Å; A648-V650 VanDerWaalsContact C-N 3.27Å; A648-V650 PolarHBondContact O-N 3.44Å; V650-Q654 HydrophobicContact CG1-CB 3.58Å; V650-K655 HydrophobicContact CB-CG 4.5Å; V650-K655 HydrophobicContact CG1-CG 3.99Å; V650-K655 WeakPolarHBondContact O-CE 3.46Å |
| 651 | S | 89.2 | Confident | 93.3 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | trans | -64.4 | 151.4 | 179.1 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | R653 Q654 K655 | S651-R653 PolarHBondContact O-N 2.84Å; S651-R653 VanDerWaalsContact O-N 3.17Å; S651-Q654 PolarHBondContact O-N 3.44Å; S651-Q654 VanDerWaalsContact O-N 3.14Å; S651-Q654 WeakPolarHBondContact OG-CG 3.39Å; S651-Q654 PolarHBondContact OG-N 3.31Å; S651-Q654 PolarHBondContact OG-OE1 3.41Å; S651-K655 WeakPolarHBondContact O-CG 3.46Å; S651-K655 PolarHBondContact O-N 2.94Å; S651-K655 VanDerWaalsContact O-N 3.17Å | ||
| 652 | L | 89.6 | Confident | 93.3 | Very high | 59 Ų | 59 | 35.3 Ų | 35.3 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.9 | 177.6 | -65.6 | -180 | 0 | 0 | 0 | 112.7 | K655 L688 L697 | L652-K655 PolarHBondContact O-N 3.14Å; L652-L688 HydrophobicContact CD2-CD2 4.4Å; L652-L697 HydrophobicContact CB-CD2 4.22Å; L652-L697 HydrophobicContact CD2-CD2 4.1Å; L652-L697 WeakPolarHBondContact O-CD2 3.23Å |
| 653 | R | 86.7 | Confident | 93.3 | Very high | 102 Ų | 102 | 35 Ų | 35 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -47 | 177.2 | -179.3 | -178.7 | -77.3 | -135.3 | 8.8 | 111.7 | S651 K655 V656 L1151 | S651-R653 PolarHBondContact O-N 2.84Å; S651-R653 VanDerWaalsContact O-N 3.17Å; R653-K655 PolarHBondContact O-N 3.37Å; R653-V656 VanDerWaalsContact O-CB 3.31Å; R653-V656 WeakPolarHBondContact O-CB 3.4Å; R653-V656 VanDerWaalsContact O-CG2 3.28Å; R653-V656 WeakPolarHBondContact O-CG2 3.39Å; R653-V656 PolarHBondContact O-N 2.97Å; R653-L1151 VanDerWaalsContact CD-O 3.29Å; R653-L1151 WeakPolarHBondContact CD-O 3.43Å; R653-L1151 PolarHBondContact NH1-O 3.3Å |
| 654 | Q | 89.4 | Confident | 93.3 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.7 | 177.2 | -73.9 | 164.2 | -27.6 | 0 | 0 | 112.4 | V650 S651 V656 V657 P658 E1155 | V650-Q654 HydrophobicContact CG1-CB 3.58Å; S651-Q654 PolarHBondContact O-N 3.44Å; S651-Q654 VanDerWaalsContact O-N 3.14Å; S651-Q654 WeakPolarHBondContact OG-CG 3.39Å; S651-Q654 PolarHBondContact OG-N 3.31Å; S651-Q654 PolarHBondContact OG-OE1 3.41Å; Q654-V656 PolarHBondContact O-N 2.98Å; Q654-V657 PolarHBondContact O-N 3.38Å; Q654-P658 WeakPolarHBondContact O-CD 3.33Å; Q654-E1155 PolarHBondContact NE2-OE1 3.33Å |
| 655 | K | 93.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -13 | 176.4 | -67.4 | -175.3 | -174.3 | -153.8 | 0 | 114.4 | M645 D647 V650 S651 L652 R653 V657 P658 A659 L688 L697 | M645-K655 WeakPolarHBondContact O-CD 3.23Å; M645-K655 VanDerWaalsContact O-CE 3.26Å; M645-K655 WeakPolarHBondContact O-CE 3.41Å; M645-K655 PolarHBondContact O-NZ 3.45Å; D647-K655 VanDerWaalsContact O-CE 3.28Å; D647-K655 WeakPolarHBondContact O-CE 3.42Å; D647-K655 PolarHBondContact O-NZ 3.37Å; V650-K655 HydrophobicContact CB-CG 4.5Å; V650-K655 HydrophobicContact CG1-CG 3.99Å; V650-K655 WeakPolarHBondContact O-CE 3.46Å; S651-K655 WeakPolarHBondContact O-CG 3.46Å; S651-K655 PolarHBondContact O-N 2.94Å; S651-K655 VanDerWaalsContact O-N 3.17Å; L652-K655 PolarHBondContact O-N 3.14Å; R653-K655 PolarHBondContact O-N 3.37Å; K655-V657 VanDerWaalsContact C-N 3.33Å; K655-V657 PolarHBondContact O-N 3.02Å; K655-P658 VanDerWaalsContact O-CD 3.3Å; K655-P658 WeakPolarHBondContact O-CD 3.48Å; K655-P658 WeakPolarHBondContact O-CG 3.31Å; K655-A659 WeakPolarHBondContact O-CB 3.27Å; K655-A659 PolarHBondContact O-N 3.48Å; K655-L688 HydrophobicContact CD-CD2 4.12Å; K655-L697 HydrophobicContact CB-CD1 4.19Å; K655-L697 HydrophobicContact CB-CD2 4.13Å |
| 656 | V | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | R653 Q654 A659 F660 L696 L697 F1144 L1152 | R653-V656 VanDerWaalsContact O-CB 3.31Å; R653-V656 WeakPolarHBondContact O-CB 3.4Å; R653-V656 VanDerWaalsContact O-CG2 3.28Å; R653-V656 WeakPolarHBondContact O-CG2 3.39Å; R653-V656 PolarHBondContact O-N 2.97Å; Q654-V656 PolarHBondContact O-N 2.98Å; V656-A659 WeakPolarHBondContact O-CB 3.46Å; V656-A659 PolarHBondContact O-N 3.36Å; V656-F660 PolarHBondContact O-N 2.61Å; V656-L696 HydrophobicContact CG1-CD2 3.72Å; V656-L696 HydrophobicContact CG1-CG 3.72Å; V656-L696 HydrophobicContact CG2-CB 4.36Å; V656-L696 HydrophobicContact CG2-CD2 4.41Å; V656-L696 HydrophobicContact CG2-CG 4.26Å; V656-L697 HydrophobicContact CG2-CB 3.84Å; V656-F1144 HydrophobicContact CG1-CZ 3.88Å; V656-L1152 HydrophobicContact CB-CD2 4.04Å; V656-L1152 HydrophobicContact CG1-CD2 3.98Å |
| 657 | V | 94.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -51.7 | -176 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | T615 F616 A619 Q654 K655 A659 F660 V661 L1152 | T615-V657 HydrophobicContact CG2-CB 4.23Å; T615-V657 HydrophobicContact CG2-CG1 3.87Å; F616-V657 HydrophobicContact CB-CG1 4.46Å; F616-V657 HydrophobicContact CD2-CG1 4.48Å; A619-V657 HydrophobicContact CB-CG1 3.61Å; Q654-V657 PolarHBondContact O-N 3.38Å; K655-V657 VanDerWaalsContact C-N 3.33Å; K655-V657 PolarHBondContact O-N 3.02Å; V657-A659 VanDerWaalsContact C-N 3.29Å; V657-A659 PolarHBondContact O-N 3.39Å; V657-F660 WeakPolarHBondContact O-CB 3.47Å; V657-F660 PolarHBondContact O-N 3.17Å; V657-V661 WeakPolarHBondContact O-CG2 3.35Å; V657-V661 PolarHBondContact O-N 2.95Å; V657-L1152 HydrophobicContact CG2-CB 4.17Å; V657-L1152 HydrophobicContact CG2-CD1 3.98Å; V657-L1152 HydrophobicContact CG2-CD2 4.46Å; V657-L1152 HydrophobicContact CG2-CG 4.43Å |
| 658 | P | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -31.5 | 174.9 | 23.7 | -31.9 | 0 | 0 | 0 | 112.8 | T615 F641 Y644 M645 Q654 K655 V661 L662 | T615-P658 HydrophobicContact CG2-CB 3.87Å; T615-P658 HydrophobicContact CG2-CG 4.45Å; F641-P658 HydrophobicContact CB-CB 4.41Å; Y644-P658 HydrophobicContact CD1-CB 3.99Å; Y644-P658 HydrophobicContact CD1-CG 3.77Å; Y644-P658 HydrophobicContact CE1-CG 4.09Å; M645-P658 HydrophobicContact CB-CB 4.22Å; M645-P658 HydrophobicContact CB-CG 4.18Å; Q654-P658 WeakPolarHBondContact O-CD 3.33Å; K655-P658 VanDerWaalsContact O-CD 3.3Å; K655-P658 WeakPolarHBondContact O-CD 3.48Å; K655-P658 WeakPolarHBondContact O-CG 3.31Å; P658-V661 PolarHBondContact O-N 2.79Å; P658-L662 WeakPolarHBondContact O-CB 3.41Å; P658-L662 WeakPolarHBondContact O-CD1 3.37Å; P658-L662 VanDerWaalsContact O-CG 3.23Å; P658-L662 WeakPolarHBondContact O-CG 3.24Å; P658-L662 PolarHBondContact O-N 3.42Å |
| 659 | A | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M645 K655 V656 V657 L662 A663 L697 W700 L701 | M645-A659 HydrophobicContact SD-CB 4.06Å; K655-A659 WeakPolarHBondContact O-CB 3.27Å; K655-A659 PolarHBondContact O-N 3.48Å; V656-A659 WeakPolarHBondContact O-CB 3.46Å; V656-A659 PolarHBondContact O-N 3.36Å; V657-A659 VanDerWaalsContact C-N 3.29Å; V657-A659 PolarHBondContact O-N 3.39Å; A659-L662 PolarHBondContact O-N 3.08Å; A659-A663 WeakPolarHBondContact O-CB 3.41Å; A659-A663 PolarHBondContact O-N 3.17Å; A659-L697 HydrophobicContact CB-CD1 3.88Å; A659-W700 HydrophobicContact CB-CB 3.99Å; A659-L701 HydrophobicContact CB-CD2 4.24Å |
| 660 | F | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 171.5 | 168.9 | -92.7 | 0 | 0 | 0 | 111.9 | A619 A623 V656 V657 L662 A663 A664 W700 V1141 F1144 | A619-F660 HydrophobicContact CB-CD1 3.65Å; A619-F660 HydrophobicContact CB-CE1 3.99Å; A619-F660 VanDerWaalsContact O-CE1 3.23Å; A619-F660 WeakPolarHBondContact O-CE1 3.47Å; A623-F660 HydrophobicContact CB-CE1 4.29Å; A623-F660 HydrophobicContact CB-CZ 3.81Å; V656-F660 PolarHBondContact O-N 2.61Å; V657-F660 WeakPolarHBondContact O-CB 3.47Å; V657-F660 PolarHBondContact O-N 3.17Å; F660-L662 VanDerWaalsContact C-N 3.29Å; F660-L662 PolarHBondContact O-N 3.44Å; F660-A663 WeakPolarHBondContact O-CB 3.45Å; F660-A663 PolarHBondContact O-N 3.21Å; F660-A663 VanDerWaalsContact O-N 3.11Å; F660-A664 HydrophobicContact CE1-CB 4.31Å; F660-A664 HydrophobicContact CZ-CB 4.29Å; F660-A664 WeakPolarHBondContact O-CB 3.35Å; F660-A664 PolarHBondContact O-N 3.43Å; F660-W700 HydrophobicContact CB-CD2 4.11Å; F660-W700 HydrophobicContact CB-CE3 4.23Å; F660-W700 HydrophobicContact CB-CG 4.43Å; F660-W700 AromaticContact CD2-CD2 3.99Å; F660-W700 HydrophobicContact CD2-CD2 3.99Å; F660-W700 AromaticContact CD2-CE2 3.82Å; F660-W700 AromaticContact CD2-CE3 3.8Å; F660-W700 HydrophobicContact CD2-CE3 3.8Å; F660-W700 AromaticContact CD2-CH2 3.3Å; F660-W700 HydrophobicContact CD2-CH2 3.3Å; F660-W700 AromaticContact CD2-CZ2 3.49Å; F660-W700 HydrophobicContact CD2-CZ2 3.49Å; F660-W700 VanDerWaalsContact CD2-CZ2 3.49Å; F660-W700 AromaticContact CD2-CZ3 3.46Å; F660-W700 HydrophobicContact CD2-CZ3 3.46Å; F660-W700 VanDerWaalsContact CD2-CZ3 3.46Å; F660-W700 AromaticContact CE2-CH2 3.52Å; F660-W700 HydrophobicContact CE2-CH2 3.52Å; F660-W700 AromaticContact CE2-CZ2 3.95Å; F660-W700 HydrophobicContact CE2-CZ2 3.95Å; F660-W700 AromaticContact CE2-CZ3 3.93Å; F660-W700 HydrophobicContact CE2-CZ3 3.93Å; F660-W700 HydrophobicContact CG-CE3 4.49Å; F660-W700 HydrophobicContact CG-CZ3 4.48Å; F660-V1141 HydrophobicContact CE2-CB 4.46Å; F660-V1141 HydrophobicContact CE2-CG1 4.2Å; F660-V1141 HydrophobicContact CE2-CG2 4.2Å; F660-V1141 HydrophobicContact CZ-CG1 4.26Å; F660-F1144 HydrophobicContact CB-CD1 4.23Å; F660-F1144 HydrophobicContact CB-CE1 3.66Å; F660-F1144 HydrophobicContact CB-CE2 4.15Å; F660-F1144 HydrophobicContact CB-CZ 3.61Å; F660-F1144 AromaticContact CD1-CD1 3.83Å; F660-F1144 HydrophobicContact CD1-CD1 3.83Å; F660-F1144 HydrophobicContact CD1-CE1 4.11Å; F660-F1144 HydrophobicContact CD1-CG 4.13Å; F660-F1144 HydrophobicContact CD2-CB 4.41Å; F660-F1144 HydrophobicContact CD2-CD1 4.02Å; F660-F1144 AromaticContact CD2-CD2 3.46Å; F660-F1144 HydrophobicContact CD2-CD2 3.46Å; F660-F1144 VanDerWaalsContact CD2-CD2 3.46Å; F660-F1144 HydrophobicContact CD2-CE1 4.15Å; F660-F1144 AromaticContact CD2-CE2 3.68Å; F660-F1144 HydrophobicContact CD2-CE2 3.68Å; F660-F1144 AromaticContact CD2-CG 3.66Å; F660-F1144 HydrophobicContact CD2-CG 3.66Å; F660-F1144 AromaticContact CD2-CZ 3.99Å; F660-F1144 HydrophobicContact CD2-CZ 3.99Å; F660-F1144 HydrophobicContact CE1-CB 4.34Å; F660-F1144 HydrophobicContact CE1-CD1 4.25Å; F660-F1144 HydrophobicContact CE1-CG 4.23Å; F660-F1144 HydrophobicContact CE2-CB 4Å; F660-F1144 HydrophobicContact CE2-CD1 4.41Å; F660-F1144 AromaticContact CE2-CD2 3.73Å; F660-F1144 HydrophobicContact CE2-CD2 3.73Å; F660-F1144 HydrophobicContact CE2-CE2 4.39Å; F660-F1144 AromaticContact CE2-CG 3.75Å; F660-F1144 HydrophobicContact CE2-CG 3.75Å; F660-F1144 AromaticContact CG-CD1 3.72Å; F660-F1144 HydrophobicContact CG-CD1 3.72Å; F660-F1144 HydrophobicContact CG-CD2 4Å; F660-F1144 AromaticContact CG-CE1 3.68Å; F660-F1144 HydrophobicContact CG-CE1 3.68Å; F660-F1144 HydrophobicContact CG-CE2 4.02Å; F660-F1144 AromaticContact CG-CG 3.87Å; F660-F1144 HydrophobicContact CG-CG 3.87Å; F660-F1144 AromaticContact CG-CZ 3.83Å; F660-F1144 HydrophobicContact CG-CZ 3.83Å; F660-F1144 HydrophobicContact CZ-CB 3.97Å; F660-F1144 HydrophobicContact CZ-CD2 4.48Å; F660-F1144 HydrophobicContact CZ-CG 4.05Å |
| 661 | V | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | -178.1 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | T615 W618 A619 L622 F641 V657 P658 A664 L665 | T615-V661 HydrophobicContact CG2-CG2 4.16Å; W618-V661 HydrophobicContact CB-CG2 4.41Å; A619-V661 HydrophobicContact CB-CG2 3.77Å; L622-V661 HydrophobicContact CD1-CG1 3.9Å; F641-V661 HydrophobicContact CB-CG1 4.41Å; F641-V661 HydrophobicContact CD1-CG1 3.94Å; F641-V661 HydrophobicContact CD2-CG1 3.46Å; F641-V661 VanDerWaalsContact CD2-CG1 3.46Å; F641-V661 HydrophobicContact CE1-CG1 4.02Å; F641-V661 HydrophobicContact CE2-CG1 3.54Å; F641-V661 HydrophobicContact CG-CB 4.47Å; F641-V661 HydrophobicContact CG-CG1 3.67Å; F641-V661 HydrophobicContact CZ-CG1 3.82Å; V657-V661 WeakPolarHBondContact O-CG2 3.35Å; V657-V661 PolarHBondContact O-N 2.95Å; P658-V661 PolarHBondContact O-N 2.79Å; V661-A664 PolarHBondContact O-N 3.2Å; V661-L665 HydrophobicContact CG1-CD1 4.2Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.32Å; V661-L665 PolarHBondContact O-N 3.42Å |
| 662 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 177.2 | -70.5 | 167 | 0 | 0 | 0 | 112.2 | F641 L642 M645 P658 A659 F660 L665 V666 L676 Y681 | F641-L662 HydrophobicContact CB-CD1 4.42Å; F641-L662 HydrophobicContact CB-CD2 3.99Å; F641-L662 HydrophobicContact CB-CG 4Å; L642-L662 HydrophobicContact CB-CD1 4.49Å; L642-L662 HydrophobicContact CD1-CD1 4.48Å; M645-L662 HydrophobicContact CE-CD1 3.52Å; M645-L662 HydrophobicContact SD-CD1 4.04Å; P658-L662 WeakPolarHBondContact O-CB 3.41Å; P658-L662 WeakPolarHBondContact O-CD1 3.37Å; P658-L662 VanDerWaalsContact O-CG 3.23Å; P658-L662 WeakPolarHBondContact O-CG 3.24Å; P658-L662 PolarHBondContact O-N 3.42Å; A659-L662 PolarHBondContact O-N 3.08Å; F660-L662 VanDerWaalsContact C-N 3.29Å; F660-L662 PolarHBondContact O-N 3.44Å; L662-L665 HydrophobicContact CD2-CD1 4.41Å; L662-L665 PolarHBondContact O-N 3.21Å; L662-V666 PolarHBondContact O-N 3.37Å; L662-L676 HydrophobicContact CB-CD1 4.24Å; L662-L676 HydrophobicContact CD2-CD1 4.05Å; L662-L676 HydrophobicContact CD2-CD2 3.87Å; L662-Y681 HydrophobicContact CB-CE2 3.76Å; L662-Y681 HydrophobicContact CD1-CD2 4.02Å; L662-Y681 HydrophobicContact CD1-CE2 3.79Å; L662-Y681 HydrophobicContact CG-CE2 4.31Å |
| 663 | A | 96.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A659 F660 L665 V666 Q667 W700 | A659-A663 WeakPolarHBondContact O-CB 3.41Å; A659-A663 PolarHBondContact O-N 3.17Å; F660-A663 WeakPolarHBondContact O-CB 3.45Å; F660-A663 PolarHBondContact O-N 3.21Å; F660-A663 VanDerWaalsContact O-N 3.11Å; A663-L665 VanDerWaalsContact C-N 3.26Å; A663-L665 PolarHBondContact O-N 2.75Å; A663-V666 VanDerWaalsContact O-CG2 3.31Å; A663-V666 WeakPolarHBondContact O-CG2 3.42Å; A663-V666 PolarHBondContact O-N 3.06Å; A663-Q667 PolarHBondContact O-N 3.44Å; A663-Q667 VanDerWaalsContact O-N 3.15Å; A663-W700 HydrophobicContact CB-CE3 3.84Å; A663-W700 HydrophobicContact CB-CZ3 4.06Å |
| 664 | A | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.1 | -34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L622 Q629 F660 V661 V666 Q667 | L622-A664 HydrophobicContact CB-CB 3.99Å; L622-A664 HydrophobicContact CD1-CB 4.15Å; Q629-A664 PolarHBondContact NE2-O 2.93Å; F660-A664 HydrophobicContact CE1-CB 4.31Å; F660-A664 HydrophobicContact CZ-CB 4.29Å; F660-A664 WeakPolarHBondContact O-CB 3.35Å; F660-A664 PolarHBondContact O-N 3.43Å; V661-A664 PolarHBondContact O-N 3.2Å; A664-V666 VanDerWaalsContact C-N 3.26Å; A664-V666 PolarHBondContact O-N 3.02Å; A664-Q667 PolarHBondContact O-N 3.49Å |
| 665 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -24.1 | 177.7 | -83.9 | 172.8 | 0 | 0 | 0 | 114.8 | L622 Q629 L632 V633 H638 F641 V661 L662 A663 F669 | L622-L665 HydrophobicContact CD1-CG 4.31Å; Q629-L665 HydrophobicContact CG-CD2 4.5Å; L632-L665 HydrophobicContact CB-CD2 3.69Å; L632-L665 HydrophobicContact CD1-CD2 3.61Å; L632-L665 HydrophobicContact CG-CD2 4.31Å; V633-L665 HydrophobicContact CG2-CD2 4.27Å; H638-L665 HydrophobicContact CB-CD1 4.15Å; F641-L665 HydrophobicContact CD2-CD1 3.92Å; F641-L665 HydrophobicContact CE2-CD1 4.21Å; V661-L665 HydrophobicContact CG1-CD1 4.2Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 VanDerWaalsContact O-CG 3.28Å; V661-L665 WeakPolarHBondContact O-CG 3.32Å; V661-L665 PolarHBondContact O-N 3.42Å; L662-L665 HydrophobicContact CD2-CD1 4.41Å; L662-L665 PolarHBondContact O-N 3.21Å; A663-L665 VanDerWaalsContact C-N 3.26Å; A663-L665 PolarHBondContact O-N 2.75Å; L665-F669 WeakPolarHBondContact O-CD1 3.21Å |
| 666 | V | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -108.4 | -8.1 | -178.4 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | L662 A663 A664 E668 F669 Q673 L676 C707 L708 | L662-V666 PolarHBondContact O-N 3.37Å; A663-V666 VanDerWaalsContact O-CG2 3.31Å; A663-V666 WeakPolarHBondContact O-CG2 3.42Å; A663-V666 PolarHBondContact O-N 3.06Å; A664-V666 VanDerWaalsContact C-N 3.26Å; A664-V666 PolarHBondContact O-N 3.02Å; V666-E668 PolarHBondContact O-N 3.43Å; V666-F669 PolarHBondContact O-N 3.1Å; V666-Q673 HydrophobicContact CB-CG 3.92Å; V666-Q673 HydrophobicContact CG1-CG 4.47Å; V666-L676 HydrophobicContact CG1-CB 4.12Å; V666-L676 HydrophobicContact CG1-CD1 3.4Å; V666-L676 HydrophobicContact CG1-CG 3.81Å; V666-C707 HydrophobicContact CG2-CB 3.64Å; V666-L708 HydrophobicContact CG1-CD1 4.35Å |
| 667 | Q | 93.2 | Very high | 95.1 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 15% | 0.154 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 111.9 | 179.5 | -178.1 | -178.8 | -1.8 | 0 | 0 | 110.5 | N626 Q629 A663 A664 F669 L1137 | N626-Q667 PolarHBondContact ND2-OE1 3.06Å; Q629-Q667 PolarHBondContact NE2-O 3.17Å; A663-Q667 PolarHBondContact O-N 3.44Å; A663-Q667 VanDerWaalsContact O-N 3.15Å; A664-Q667 PolarHBondContact O-N 3.49Å; Q667-F669 PolarHBondContact O-N 3.03Å; Q667-F669 VanDerWaalsContact O-N 3.09Å; Q667-L1137 HydrophobicContact CG-CD2 4Å |
| 668 | E | 89.1 | Confident | 95 | Very high | 147 Ų | 147 | 32.5 Ų | 32.5 | 69% | 0.687 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 27.6 | 178.9 | -56 | -169.8 | 154.4 | 0 | 0 | 114.3 | V666 | V666-E668 PolarHBondContact O-N 3.43Š|
| 669 | F | 94.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | trans | -128.7 | 96.5 | -175.2 | -174.5 | -127 | 0 | 0 | 0 | 112.6 | Q629 F630 V633 L665 V666 Q667 E671 G672 Q673 | Q629-F669 HydrophobicContact CB-CD1 3.8Å; Q629-F669 HydrophobicContact CB-CE1 3.96Å; Q629-F669 HydrophobicContact CB-CG 4.25Å; Q629-F669 HydrophobicContact CG-CD1 4.44Å; F630-F669 HydrophobicContact CB-CZ 4.34Å; F630-F669 HydrophobicContact CD2-CZ 4.4Å; V633-F669 HydrophobicContact CB-CE1 4.1Å; V633-F669 HydrophobicContact CG2-CD1 4.39Å; V633-F669 HydrophobicContact CG2-CE1 3.79Å; L665-F669 WeakPolarHBondContact O-CD1 3.21Å; V666-F669 PolarHBondContact O-N 3.1Å; Q667-F669 PolarHBondContact O-N 3.03Å; Q667-F669 VanDerWaalsContact O-N 3.09Å; F669-E671 VanDerWaalsContact C-N 3.34Å; F669-E671 HydrophobicContact CE1-CB 3.89Å; F669-E671 HydrophobicContact CE2-CB 4.01Å; F669-E671 HydrophobicContact CE2-CG 4.44Å; F669-E671 WeakPolarHBondContact CE2-OE2 3.13Å; F669-E671 HydrophobicContact CZ-CB 3.58Å; F669-E671 HydrophobicContact CZ-CG 4.33Å; F669-E671 PolarHBondContact O-N 3.05Å; F669-G672 PolarHBondContact O-N 3.37Å; F669-G672 VanDerWaalsContact O-N 3.14Å; F669-Q673 WeakPolarHBondContact O-CG 3.46Å; F669-Q673 PolarHBondContact O-N 2.88Å | ||
| 670 | P | 94.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.2 | -35.8 | -174.1 | -27.4 | 36.2 | 0 | 0 | 0 | 115.1 | Q673 R674 | P670-Q673 PolarHBondContact O-N 3.01Å; P670-R674 WeakPolarHBondContact O-CG 3.49Å; P670-R674 PolarHBondContact O-N 3.24Å; P670-R674 PolarHBondContact O-NH1 3.47Å |
| 671 | E | 94.5 | Very high | 94.8 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 178 | -69.8 | 60.1 | -131.3 | 0 | 0 | 111.1 | F669 R674 A675 | F669-E671 VanDerWaalsContact C-N 3.34Å; F669-E671 HydrophobicContact CE1-CB 3.89Å; F669-E671 HydrophobicContact CE2-CB 4.01Å; F669-E671 HydrophobicContact CE2-CG 4.44Å; F669-E671 WeakPolarHBondContact CE2-OE2 3.13Å; F669-E671 HydrophobicContact CZ-CB 3.58Å; F669-E671 HydrophobicContact CZ-CG 4.33Å; F669-E671 PolarHBondContact O-N 3.05Å; E671-R674 IonicContact OE1-NH1 3.67Å; E671-R674 PolarHBondContact OE1-NH1 3.23Å; E671-A675 WeakPolarHBondContact O-CB 3.31Å; E671-A675 PolarHBondContact O-N 2.91Å |
| 672 | G | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F669 R674 A675 L676 | F669-G672 PolarHBondContact O-N 3.37Å; F669-G672 VanDerWaalsContact O-N 3.14Å; G672-R674 PolarHBondContact O-N 3.36Å; G672-A675 PolarHBondContact O-N 3.21Å; G672-L676 PolarHBondContact O-N 3.35Å |
| 673 | Q | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 176.1 | -69.9 | 173.3 | -27.2 | 0 | 0 | 111.5 | V666 F669 P670 A675 L676 L677 C707 L708 S710 F712 | V666-Q673 HydrophobicContact CB-CG 3.92Å; V666-Q673 HydrophobicContact CG1-CG 4.47Å; F669-Q673 WeakPolarHBondContact O-CG 3.46Å; F669-Q673 PolarHBondContact O-N 2.88Å; P670-Q673 PolarHBondContact O-N 3.01Å; Q673-A675 VanDerWaalsContact C-N 3.34Å; Q673-A675 PolarHBondContact O-N 3.23Å; Q673-L676 PolarHBondContact O-N 3.32Å; Q673-L677 VanDerWaalsContact O-CB 3.3Å; Q673-L677 WeakPolarHBondContact O-CB 3.38Å; Q673-L677 PolarHBondContact O-N 2.94Å; Q673-C707 PolarHBondContact NE2-O 3.44Å; Q673-L708 HydrophobicContact CB-CD1 4.23Å; Q673-L708 WeakPolarHBondContact O-CD1 3.43Å; Q673-S710 PolarHBondContact NE2-O 3.14Å; Q673-F712 HydrophobicContact CB-CD1 3.78Å; Q673-F712 HydrophobicContact CB-CE1 4.09Å |
| 674 | R | 96 | Very high | 94.4 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.1 | -69.5 | 179.3 | -155.4 | 105 | -4.4 | 112 | P670 E671 G672 L677 Q678 F712 | P670-R674 WeakPolarHBondContact O-CG 3.49Å; P670-R674 PolarHBondContact O-N 3.24Å; P670-R674 PolarHBondContact O-NH1 3.47Å; E671-R674 IonicContact OE1-NH1 3.67Å; E671-R674 PolarHBondContact OE1-NH1 3.23Å; G672-R674 PolarHBondContact O-N 3.36Å; R674-L677 PolarHBondContact O-N 3.21Å; R674-Q678 WeakPolarHBondContact O-CG 3.34Å; R674-Q678 PolarHBondContact O-N 3.02Å; R674-Q678 VanDerWaalsContact O-N 3.17Å; R674-F712 HydrophobicContact CG-CE1 4.36Å; R674-F712 HydrophobicContact CG-CE2 4.42Å; R674-F712 HydrophobicContact CG-CZ 3.82Å |
| 675 | A | 95.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V633 E671 G672 Q673 Q678 | V633-A675 HydrophobicContact CG1-CB 3.91Å; E671-A675 WeakPolarHBondContact O-CB 3.31Å; E671-A675 PolarHBondContact O-N 2.91Å; G672-A675 PolarHBondContact O-N 3.21Å; Q673-A675 VanDerWaalsContact C-N 3.34Å; Q673-A675 PolarHBondContact O-N 3.23Å; A675-Q678 PolarHBondContact O-N 3.13Å |
| 676 | L | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.5 | -29.3 | 176.4 | -74.1 | -164.8 | 0 | 0 | 0 | 113.7 | H638 L662 V666 G672 Q673 Q678 V679 Y681 L708 | H638-L676 HydrophobicContact CB-CD2 3.88Å; L662-L676 HydrophobicContact CB-CD1 4.24Å; L662-L676 HydrophobicContact CD2-CD1 4.05Å; L662-L676 HydrophobicContact CD2-CD2 3.87Å; V666-L676 HydrophobicContact CG1-CB 4.12Å; V666-L676 HydrophobicContact CG1-CD1 3.4Å; V666-L676 HydrophobicContact CG1-CG 3.81Å; G672-L676 PolarHBondContact O-N 3.35Å; Q673-L676 PolarHBondContact O-N 3.32Å; L676-Q678 VanDerWaalsContact C-N 3.31Å; L676-Q678 PolarHBondContact O-N 2.82Å; L676-V679 HydrophobicContact CD2-CG2 4.09Å; L676-V679 VanDerWaalsContact O-CG2 3.22Å; L676-V679 WeakPolarHBondContact O-CG2 3.47Å; L676-V679 PolarHBondContact O-N 3.06Å; L676-Y681 HydrophobicContact CB-CD1 4.04Å; L676-Y681 HydrophobicContact CB-CG 4.27Å; L676-Y681 HydrophobicContact CD1-CD1 3.79Å; L676-Y681 HydrophobicContact CD1-CD2 4.16Å; L676-Y681 HydrophobicContact CD1-CE1 3.85Å; L676-Y681 HydrophobicContact CD1-CE2 4.21Å; L676-Y681 HydrophobicContact CD1-CG 3.93Å; L676-Y681 HydrophobicContact CD2-CG 4.39Å; L676-Y681 HydrophobicContact CG-CD1 4.45Å; L676-Y681 HydrophobicContact CG-CG 4.45Å; L676-L708 HydrophobicContact CB-CD1 4Å |
| 677 | L | 94.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -32.9 | 175.8 | -169.4 | 69.7 | 0 | 0 | 0 | 112.4 | Q673 R674 V679 M682 F712 E714 A715 L718 | Q673-L677 VanDerWaalsContact O-CB 3.3Å; Q673-L677 WeakPolarHBondContact O-CB 3.38Å; Q673-L677 PolarHBondContact O-N 2.94Å; R674-L677 PolarHBondContact O-N 3.21Å; L677-V679 PolarHBondContact O-N 3.14Å; L677-M682 HydrophobicContact CD1-CE 3.67Å; L677-M682 HydrophobicContact CD1-SD 4.33Å; L677-F712 HydrophobicContact CB-CE1 4.37Å; L677-F712 HydrophobicContact CD2-CE1 3.62Å; L677-F712 HydrophobicContact CD2-CZ 3.83Å; L677-E714 HydrophobicContact CD2-CB 4.15Å; L677-E714 HydrophobicContact CD2-CG 3.83Å; L677-A715 HydrophobicContact CD1-CB 3.91Å; L677-L718 HydrophobicContact CD1-CB 4.44Å; L677-L718 HydrophobicContact CD1-CD2 3.5Å; L677-L718 VanDerWaalsContact CD1-CD2 3.5Å; L677-L718 HydrophobicContact CG-CD2 4.33Å |
| 678 | Q | 93.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 49.5 Ų | 49.5 | 79% | 0.794 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.1 | 179.4 | -73.1 | 176.4 | -1.5 | 0 | 0 | 113.9 | R674 A675 L676 | R674-Q678 WeakPolarHBondContact O-CG 3.34Å; R674-Q678 PolarHBondContact O-N 3.02Å; R674-Q678 VanDerWaalsContact O-N 3.17Å; A675-Q678 PolarHBondContact O-N 3.13Å; L676-Q678 VanDerWaalsContact C-N 3.31Å; L676-Q678 PolarHBondContact O-N 2.82Å |
| 679 | V | 94.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 174.5 | 179.3 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | L639 L642 L676 L677 Y681 | L639-V679 HydrophobicContact CD2-CG1 3.71Å; L642-V679 HydrophobicContact CD2-CB 3.95Å; L642-V679 HydrophobicContact CD2-CG2 3.59Å; L676-V679 HydrophobicContact CD2-CG2 4.09Å; L676-V679 VanDerWaalsContact O-CG2 3.22Å; L676-V679 WeakPolarHBondContact O-CG2 3.47Å; L676-V679 PolarHBondContact O-N 3.06Å; L677-V679 PolarHBondContact O-N 3.14Å; V679-Y681 PolarHBondContact O-N 3.23Å |
| 680 | R | 93.7 | Very high | 94 | Very high | 141 Ų | 141 | 47 Ų | 47 | 53% | 0.532 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 19.2 | -174.9 | -65.3 | -176.6 | 65.1 | -156 | -5.7 | 114.5 | M682 T683 V684 E687 | R680-M682 PolarHBondContact O-N 3.06Å; R680-T683 WeakPolarHBondContact O-CA 3.4Å; R680-T683 WeakPolarHBondContact O-CB 3.47Å; R680-T683 PolarHBondContact O-N 3.22Å; R680-V684 HydrophobicContact CB-CG2 4.43Å; R680-V684 WeakPolarHBondContact O-CG2 3.22Å; R680-V684 PolarHBondContact O-N 3.16Å; R680-E687 IonicContact NH2-OE1 2.8Å; R680-E687 PolarHBondContact NH2-OE1 2.9Å |
| 681 | Y | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.3 | -46 | -173.3 | 173.7 | -112.3 | 0 | 0 | 0 | 113.3 | L642 M645 L662 L676 V679 T683 V684 C685 G704 L708 | L642-Y681 HydrophobicContact CD1-CD2 4.11Å; M645-Y681 HydrophobicContact CE-CD2 3.94Å; M645-Y681 HydrophobicContact CE-CE2 3.93Å; L662-Y681 HydrophobicContact CB-CE2 3.76Å; L662-Y681 HydrophobicContact CD1-CD2 4.02Å; L662-Y681 HydrophobicContact CD1-CE2 3.79Å; L662-Y681 HydrophobicContact CG-CE2 4.31Å; L676-Y681 HydrophobicContact CB-CD1 4.04Å; L676-Y681 HydrophobicContact CB-CG 4.27Å; L676-Y681 HydrophobicContact CD1-CD1 3.79Å; L676-Y681 HydrophobicContact CD1-CD2 4.16Å; L676-Y681 HydrophobicContact CD1-CE1 3.85Å; L676-Y681 HydrophobicContact CD1-CE2 4.21Å; L676-Y681 HydrophobicContact CD1-CG 3.93Å; L676-Y681 HydrophobicContact CD2-CG 4.39Å; L676-Y681 HydrophobicContact CG-CD1 4.45Å; L676-Y681 HydrophobicContact CG-CG 4.45Å; V679-Y681 PolarHBondContact O-N 3.23Å; Y681-T683 VanDerWaalsContact C-N 3.33Å; Y681-T683 PolarHBondContact O-N 3.42Å; Y681-V684 PolarHBondContact O-N 2.68Å; Y681-C685 WeakPolarHBondContact CE2-SG 3.39Å; Y681-C685 PolarHBondContact O-N 3.27Å; Y681-C685 PolarHBondContact O-SG 3.19Å; Y681-G704 VanDerWaalsContact OH-C 3.32Å; Y681-G704 VanDerWaalsContact OH-CA 3.28Å; Y681-G704 WeakPolarHBondContact OH-CA 3.35Å; Y681-L708 HydrophobicContact CD1-CD2 3.8Å; Y681-L708 HydrophobicContact CE1-CD2 4.04Å |
| 682 | M | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.5 | -76.6 | -171 | 179.6 | 0 | 0 | 112.4 | L677 R680 S686 L705 L708 W709 A715 L718 A719 L724 | L677-M682 HydrophobicContact CD1-CE 3.67Å; L677-M682 HydrophobicContact CD1-SD 4.33Å; R680-M682 PolarHBondContact O-N 3.06Å; M682-S686 WeakPolarHBondContact O-CB 3.45Å; M682-S686 PolarHBondContact O-N 3.34Å; M682-L705 HydrophobicContact CB-CD2 4.47Å; M682-L705 HydrophobicContact CG-CD2 4.06Å; M682-L708 HydrophobicContact CE-CD2 3.35Å; M682-L708 HydrophobicContact CE-CG 4.08Å; M682-L708 HydrophobicContact CG-CD2 3.61Å; M682-L708 HydrophobicContact SD-CD2 4.32Å; M682-W709 HydrophobicContact CE-CE3 4.46Å; M682-A715 HydrophobicContact CE-CB 3.79Å; M682-A715 VanDerWaalsContact CE-O 3.32Å; M682-A715 WeakPolarHBondContact CE-O 3.35Å; M682-L718 HydrophobicContact CE-CB 4.41Å; M682-L718 HydrophobicContact CE-CD2 4.46Å; M682-L718 HydrophobicContact SD-CB 4.22Å; M682-L718 HydrophobicContact SD-CD2 3.78Å; M682-L718 HydrophobicContact SD-CG 3.88Å; M682-A719 HydrophobicContact CE-CB 4.32Å; M682-A719 HydrophobicContact SD-CB 4.47Å; M682-L724 HydrophobicContact CB-CD1 4.19Å; M682-L724 HydrophobicContact CG-CD1 4.28Å; M682-L724 HydrophobicContact SD-CD1 4.23Å |
| 683 | T | 93.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.4 | -48.5 | 0 | 0 | 0 | 0 | 110.8 | R680 Y681 C685 S686 E687 | R680-T683 WeakPolarHBondContact O-CA 3.4Å; R680-T683 WeakPolarHBondContact O-CB 3.47Å; R680-T683 PolarHBondContact O-N 3.22Å; Y681-T683 VanDerWaalsContact C-N 3.33Å; Y681-T683 PolarHBondContact O-N 3.42Å; T683-C685 PolarHBondContact O-N 2.9Å; T683-S686 VanDerWaalsContact O-CB 3.32Å; T683-S686 WeakPolarHBondContact O-CB 3.17Å; T683-S686 PolarHBondContact O-N 3.31Å; T683-E687 WeakPolarHBondContact CG2-OE1 3.39Å; T683-E687 WeakPolarHBondContact O-CG 3.33Å; T683-E687 PolarHBondContact O-N 3.42Å |
| 684 | V | 94.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 178.9 | 178 | 0 | 0 | 0 | 0 | 111.2 | L642 M645 E646 R680 Y681 S686 E687 L688 | L642-V684 HydrophobicContact CD1-CB 4.29Å; L642-V684 HydrophobicContact CD1-CG1 4.43Å; L642-V684 HydrophobicContact CD1-CG2 4.12Å; M645-V684 HydrophobicContact CE-CB 4.42Å; M645-V684 HydrophobicContact CE-CG1 3.77Å; M645-V684 HydrophobicContact CG-CG1 4.44Å; E646-V684 HydrophobicContact CG-CB 4.43Å; E646-V684 HydrophobicContact CG-CG1 3.99Å; E646-V684 HydrophobicContact CG-CG2 3.53Å; E646-V684 VanDerWaalsContact OE1-CG2 3.24Å; E646-V684 WeakPolarHBondContact OE1-CG2 3.3Å; R680-V684 HydrophobicContact CB-CG2 4.43Å; R680-V684 WeakPolarHBondContact O-CG2 3.22Å; R680-V684 PolarHBondContact O-N 3.16Å; Y681-V684 PolarHBondContact O-N 2.68Å; V684-S686 VanDerWaalsContact C-N 3.3Å; V684-S686 PolarHBondContact O-N 3.16Å; V684-E687 PolarHBondContact O-N 2.76Å; V684-L688 HydrophobicContact CG1-CD1 3.98Å; V684-L688 HydrophobicContact CG1-CG 4.43Å; V684-L688 WeakPolarHBondContact O-CB 3.23Å; V684-L688 WeakPolarHBondContact O-CG 3.48Å; V684-L688 PolarHBondContact O-N 3.34Å |
| 685 | C | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.3 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | Y681 T683 L688 L689 L701 L705 | Y681-C685 WeakPolarHBondContact CE2-SG 3.39Å; Y681-C685 PolarHBondContact O-N 3.27Å; Y681-C685 PolarHBondContact O-SG 3.19Å; T683-C685 PolarHBondContact O-N 2.9Å; C685-L688 PolarHBondContact O-N 3Å; C685-L689 WeakPolarHBondContact O-CB 3.31Å; C685-L689 VanDerWaalsContact O-CG 3.28Å; C685-L689 WeakPolarHBondContact O-CG 3.49Å; C685-L689 PolarHBondContact O-N 3.4Å; C685-L701 HydrophobicContact CB-CD2 4.17Å; C685-L705 HydrophobicContact CB-CD1 3.86Å; C685-L705 HydrophobicContact CB-CD2 3.93Å; C685-L705 HydrophobicContact CB-CG 3.89Å |
| 686 | S | 93.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 177.4 | -162.5 | 0 | 0 | 0 | 0 | 113.1 | M682 T683 V684 N690 K727 | M682-S686 WeakPolarHBondContact O-CB 3.45Å; M682-S686 PolarHBondContact O-N 3.34Å; T683-S686 VanDerWaalsContact O-CB 3.32Å; T683-S686 WeakPolarHBondContact O-CB 3.17Å; T683-S686 PolarHBondContact O-N 3.31Å; V684-S686 VanDerWaalsContact C-N 3.3Å; V684-S686 PolarHBondContact O-N 3.16Å; S686-N690 PolarHBondContact O-OD1 3.34Å; S686-K727 PolarHBondContact O-NZ 2.73Å; S686-K727 WeakPolarHBondContact OG-CE 3.3Å; S686-K727 PolarHBondContact OG-NZ 3.35Å |
| 687 | E | 92.7 | Very high | 91 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 47% | 0.467 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 176.8 | -72.5 | 169.1 | -172.1 | 0 | 0 | 110.6 | R680 T683 V684 L689 N690 | R680-E687 IonicContact NH2-OE1 2.8Å; R680-E687 PolarHBondContact NH2-OE1 2.9Å; T683-E687 WeakPolarHBondContact CG2-OE1 3.39Å; T683-E687 WeakPolarHBondContact O-CG 3.33Å; T683-E687 PolarHBondContact O-N 3.42Å; V684-E687 PolarHBondContact O-N 2.76Å; E687-L689 VanDerWaalsContact C-N 3.33Å; E687-L689 PolarHBondContact O-N 2.98Å; E687-N690 PolarHBondContact O-N 3.17Å |
| 688 | L | 93.5 | Very high | 91 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -32.4 | 179 | -70.2 | 173.5 | 0 | 0 | 0 | 113 | M645 L652 K655 V684 C685 N690 C692 L701 | M645-L688 HydrophobicContact CG-CD1 3.73Å; M645-L688 HydrophobicContact SD-CD1 4.12Å; L652-L688 HydrophobicContact CD2-CD2 4.4Å; K655-L688 HydrophobicContact CD-CD2 4.12Å; V684-L688 HydrophobicContact CG1-CD1 3.98Å; V684-L688 HydrophobicContact CG1-CG 4.43Å; V684-L688 WeakPolarHBondContact O-CB 3.23Å; V684-L688 WeakPolarHBondContact O-CG 3.48Å; V684-L688 PolarHBondContact O-N 3.34Å; C685-L688 PolarHBondContact O-N 3Å; L688-N690 VanDerWaalsContact C-N 3.27Å; L688-N690 PolarHBondContact O-N 3.45Å; L688-C692 WeakPolarHBondContact O-CB 3.4Å; L688-C692 PolarHBondContact O-N 3.29Å; L688-L701 HydrophobicContact CB-CD1 3.56Å; L688-L701 HydrophobicContact CD1-CD1 4.43Å; L688-L701 HydrophobicContact CD1-CD2 4.11Å |
| 689 | L | 92.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -25.4 | 178 | -78.8 | 172.5 | 0 | 0 | 0 | 113.7 | C685 E687 R698 L701 V702 L705 L731 | C685-L689 WeakPolarHBondContact O-CB 3.31Å; C685-L689 VanDerWaalsContact O-CG 3.28Å; C685-L689 WeakPolarHBondContact O-CG 3.49Å; C685-L689 PolarHBondContact O-N 3.4Å; E687-L689 VanDerWaalsContact C-N 3.33Å; E687-L689 PolarHBondContact O-N 2.98Å; L689-R698 HydrophobicContact CD2-CB 4.3Å; L689-R698 HydrophobicContact CD2-CG 4.29Å; L689-L701 HydrophobicContact CD2-CB 4.03Å; L689-L701 HydrophobicContact CD2-CD1 4.04Å; L689-L701 HydrophobicContact CG-CB 4.23Å; L689-L701 HydrophobicContact CG-CD1 4.08Å; L689-V702 HydrophobicContact CD2-CG2 4.28Å; L689-L705 HydrophobicContact CD1-CD1 4.18Å; L689-L731 HydrophobicContact CD1-CD1 4.39Å; L689-L731 HydrophobicContact CD2-CD1 3.94Å |
| 690 | N | 86.4 | Confident | 91.2 | Very high | 101 Ų | 101 | 42.3 Ų | 42.3 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.9 | -37.1 | -177.4 | -73.6 | -7.9 | 0 | 0 | 0 | 113.2 | S686 E687 L688 K727 | S686-N690 PolarHBondContact O-OD1 3.34Å; E687-N690 PolarHBondContact O-N 3.17Å; L688-N690 VanDerWaalsContact C-N 3.27Å; L688-N690 PolarHBondContact O-N 3.45Å; N690-K727 PolarHBondContact OD1-NZ 2.95Å |
| 691 | D | 73.3 | Confident | 91.3 | Very high | 145 Ų | 145 | 35.6 Ų | 35.6 | 78% | 0.775 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -120.6 | 19.6 | -169.1 | -63.9 | -40.6 | 0 | 0 | 0 | 113 | ||
| 692 | C | 81.4 | Confident | 91.4 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 8% | 0.081 | 20% | 0.201 | C | C | . | . | trans | -95.5 | 107.4 | -173.4 | -176.1 | 0 | 0 | 0 | 0 | 113.7 | L688 N694 R698 | L688-C692 WeakPolarHBondContact O-CB 3.4Å; L688-C692 PolarHBondContact O-N 3.29Å; C692-N694 VanDerWaalsContact C-N 3.33Å; C692-N694 PolarHBondContact SG-N 3.29Å; C692-N694 VanDerWaalsContact SG-N 3.39Å; C692-N694 PolarHBondContact SG-O 2.87Å; C692-R698 HydrophobicContact CB-CG 3.99Å; C692-R698 WeakPolarHBondContact O-CD 3.43Å; C692-R698 PolarHBondContact O-NH1 3.35Å | ||
| 693 | S | 85.8 | Confident | 91.5 | Very high | 108 Ų | 108 | 35.1 Ų | 35.1 | 76% | 0.755 | 20% | 0.198 | S | C | * | . | trans | -73.1 | -22.7 | 169 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | A695 R698 | S693-A695 PolarHBondContact O-N 3.1Å; S693-R698 VanDerWaalsContact C-NH1 3.28Å; S693-R698 PolarHBondContact O-NH1 3.17Å | ||
| 694 | N | 89.4 | Confident | 91.6 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | trans | -79.3 | 110 | -176.4 | -173.2 | -51.2 | 0 | 0 | 0 | 112.1 | C692 L696 L697 R698 | C692-N694 VanDerWaalsContact C-N 3.33Å; C692-N694 PolarHBondContact SG-N 3.29Å; C692-N694 VanDerWaalsContact SG-N 3.39Å; C692-N694 PolarHBondContact SG-O 2.87Å; N694-L696 PolarHBondContact O-N 2.96Å; N694-L696 WeakPolarHBondContact OD1-CB 3.3Å; N694-L696 PolarHBondContact OD1-N 2.88Å; N694-L697 HydrophobicContact CB-CB 4.1Å; N694-L697 PolarHBondContact O-N 2.91Å; N694-L697 PolarHBondContact OD1-N 3.43Å; N694-R698 PolarHBondContact O-N 2.98Å | ||
| 695 | A | 90.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | S693 L697 R698 Q699 V736 V739 | S693-A695 PolarHBondContact O-N 3.1Å; A695-L697 VanDerWaalsContact C-N 3.34Å; A695-R698 PolarHBondContact O-N 3.02Å; A695-Q699 WeakPolarHBondContact O-CB 3.26Å; A695-Q699 PolarHBondContact O-N 3.14Å; A695-V736 HydrophobicContact CB-CB 4.19Å; A695-V736 HydrophobicContact CB-CG1 4.42Å; A695-V736 HydrophobicContact CB-CG2 3.61Å; A695-V739 HydrophobicContact CB-CG2 4.26Å; A695-V739 WeakPolarHBondContact O-CG2 3.39Å |
| 696 | L | 90.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.5 | -36.5 | 179 | -175 | 60.4 | 0 | 0 | 0 | 111.4 | V656 N694 Q699 W700 L1152 | V656-L696 HydrophobicContact CG1-CD2 3.72Å; V656-L696 HydrophobicContact CG1-CG 3.72Å; V656-L696 HydrophobicContact CG2-CB 4.36Å; V656-L696 HydrophobicContact CG2-CD2 4.41Å; V656-L696 HydrophobicContact CG2-CG 4.26Å; N694-L696 PolarHBondContact O-N 2.96Å; N694-L696 WeakPolarHBondContact OD1-CB 3.3Å; N694-L696 PolarHBondContact OD1-N 2.88Å; L696-Q699 WeakPolarHBondContact O-CB 3.28Å; L696-Q699 PolarHBondContact O-N 2.86Å; L696-W700 VanDerWaalsContact O-CD1 3.3Å; L696-W700 PolarHBondContact O-N 3.39Å; L696-W700 VanDerWaalsContact O-N 3.1Å; L696-L1152 HydrophobicContact CD2-CD2 4.46Å |
| 697 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.2 | 179.7 | 59.6 | 0 | 0 | 0 | 110.7 | L652 K655 V656 A659 N694 A695 Q699 W700 L701 | L652-L697 HydrophobicContact CB-CD2 4.22Å; L652-L697 HydrophobicContact CD2-CD2 4.1Å; L652-L697 WeakPolarHBondContact O-CD2 3.23Å; K655-L697 HydrophobicContact CB-CD1 4.19Å; K655-L697 HydrophobicContact CB-CD2 4.13Å; V656-L697 HydrophobicContact CG2-CB 3.84Å; A659-L697 HydrophobicContact CB-CD1 3.88Å; N694-L697 HydrophobicContact CB-CB 4.1Å; N694-L697 PolarHBondContact O-N 2.91Å; N694-L697 PolarHBondContact OD1-N 3.43Å; A695-L697 VanDerWaalsContact C-N 3.34Å; L697-Q699 VanDerWaalsContact C-N 3.29Å; L697-Q699 PolarHBondContact O-N 3.1Å; L697-W700 PolarHBondContact O-N 2.92Å; L697-L701 HydrophobicContact CD1-CD1 4.08Å; L697-L701 HydrophobicContact CD1-CD2 4.2Å; L697-L701 HydrophobicContact CD1-CG 3.88Å; L697-L701 HydrophobicContact CD2-CD1 4.48Å; L697-L701 HydrophobicContact CG-CD1 3.85Å; L697-L701 HydrophobicContact CG-CG 4.14Å; L697-L701 WeakPolarHBondContact O-CB 3.36Å; L697-L701 VanDerWaalsContact O-CG 3.23Å; L697-L701 WeakPolarHBondContact O-CG 3.49Å; L697-L701 PolarHBondContact O-N 3.3Å |
| 698 | R | 95.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 175.7 | -66.5 | -162.1 | -58.4 | -78.9 | -0.5 | 111.5 | L689 C692 S693 N694 A695 W700 L701 V702 D734 V739 | L689-R698 HydrophobicContact CD2-CB 4.3Å; L689-R698 HydrophobicContact CD2-CG 4.29Å; C692-R698 HydrophobicContact CB-CG 3.99Å; C692-R698 WeakPolarHBondContact O-CD 3.43Å; C692-R698 PolarHBondContact O-NH1 3.35Å; S693-R698 VanDerWaalsContact C-NH1 3.28Å; S693-R698 PolarHBondContact O-NH1 3.17Å; N694-R698 PolarHBondContact O-N 2.98Å; A695-R698 PolarHBondContact O-N 3.02Å; R698-W700 PolarHBondContact O-N 3.34Å; R698-L701 PolarHBondContact O-N 2.95Å; R698-V702 VanDerWaalsContact O-CG2 3.31Å; R698-V702 WeakPolarHBondContact O-CG2 3.46Å; R698-V702 PolarHBondContact O-N 2.78Å; R698-D734 IonicContact CZ-OD1 3.64Å; R698-D734 IonicContact CZ-OD2 2.68Å; R698-D734 IonicContact NE-OD2 2.83Å; R698-D734 PolarHBondContact NE-OD2 3Å; R698-D734 IonicContact NH2-OD1 2.75Å; R698-D734 PolarHBondContact NH2-OD1 3.4Å; R698-D734 IonicContact NH2-OD2 3.71Å; R698-D734 PolarHBondContact NH2-OD2 2.94Å; R698-V739 HydrophobicContact CB-CG1 4.2Å; R698-V739 HydrophobicContact CB-CG2 4.4Å |
| 699 | Q | 94.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.2 | -54.9 | 174.6 | -179.3 | -172.2 | -8.1 | 0 | 0 | 111.5 | A695 L696 L697 V702 L703 I738 V739 S742 C1140 | A695-Q699 WeakPolarHBondContact O-CB 3.26Å; A695-Q699 PolarHBondContact O-N 3.14Å; L696-Q699 WeakPolarHBondContact O-CB 3.28Å; L696-Q699 PolarHBondContact O-N 2.86Å; L697-Q699 VanDerWaalsContact C-N 3.29Å; L697-Q699 PolarHBondContact O-N 3.1Å; Q699-V702 PolarHBondContact O-N 3.17Å; Q699-L703 HydrophobicContact CG-CD1 3.96Å; Q699-L703 HydrophobicContact CG-CG 4.45Å; Q699-L703 WeakPolarHBondContact O-CB 3.38Å; Q699-L703 WeakPolarHBondContact O-CG 3.45Å; Q699-L703 PolarHBondContact O-N 2.66Å; Q699-I738 HydrophobicContact CG-CG1 4.34Å; Q699-I738 HydrophobicContact CG-CG2 4.48Å; Q699-V739 HydrophobicContact CB-CG2 4.33Å; Q699-S742 WeakPolarHBondContact CG-OG 3.4Å; Q699-C1140 PolarHBondContact NE2-SG 3.43Å |
| 700 | W | 95.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.3 | -27.8 | -175.5 | -78.6 | 102.1 | 0 | 0 | 0 | 114.6 | A659 F660 A663 L696 L697 R698 L703 G704 C1140 V1141 F1144 | A659-W700 HydrophobicContact CB-CB 3.99Å; F660-W700 HydrophobicContact CB-CD2 4.11Å; F660-W700 HydrophobicContact CB-CE3 4.23Å; F660-W700 HydrophobicContact CB-CG 4.43Å; F660-W700 AromaticContact CD2-CD2 3.99Å; F660-W700 HydrophobicContact CD2-CD2 3.99Å; F660-W700 AromaticContact CD2-CE2 3.82Å; F660-W700 AromaticContact CD2-CE3 3.8Å; F660-W700 HydrophobicContact CD2-CE3 3.8Å; F660-W700 AromaticContact CD2-CH2 3.3Å; F660-W700 HydrophobicContact CD2-CH2 3.3Å; F660-W700 AromaticContact CD2-CZ2 3.49Å; F660-W700 HydrophobicContact CD2-CZ2 3.49Å; F660-W700 VanDerWaalsContact CD2-CZ2 3.49Å; F660-W700 AromaticContact CD2-CZ3 3.46Å; F660-W700 HydrophobicContact CD2-CZ3 3.46Å; F660-W700 VanDerWaalsContact CD2-CZ3 3.46Å; F660-W700 AromaticContact CE2-CH2 3.52Å; F660-W700 HydrophobicContact CE2-CH2 3.52Å; F660-W700 AromaticContact CE2-CZ2 3.95Å; F660-W700 HydrophobicContact CE2-CZ2 3.95Å; F660-W700 AromaticContact CE2-CZ3 3.93Å; F660-W700 HydrophobicContact CE2-CZ3 3.93Å; F660-W700 HydrophobicContact CG-CE3 4.49Å; F660-W700 HydrophobicContact CG-CZ3 4.48Å; A663-W700 HydrophobicContact CB-CE3 3.84Å; A663-W700 HydrophobicContact CB-CZ3 4.06Å; L696-W700 VanDerWaalsContact O-CD1 3.3Å; L696-W700 PolarHBondContact O-N 3.39Å; L696-W700 VanDerWaalsContact O-N 3.1Å; L697-W700 PolarHBondContact O-N 2.92Å; R698-W700 PolarHBondContact O-N 3.34Å; W700-L703 HydrophobicContact CD2-CD1 4.32Å; W700-L703 HydrophobicContact CE3-CB 4.12Å; W700-L703 HydrophobicContact CE3-CD1 4.11Å; W700-L703 HydrophobicContact CH2-CD1 4.2Å; W700-L703 HydrophobicContact CZ2-CD1 4.4Å; W700-L703 HydrophobicContact CZ3-CB 4.38Å; W700-L703 HydrophobicContact CZ3-CD1 4.05Å; W700-G704 PolarHBondContact O-N 2.92Å; W700-C1140 HydrophobicContact CH2-CB 4.21Å; W700-C1140 HydrophobicContact CZ2-CB 4.08Å; W700-C1140 WeakPolarHBondContact CZ2-O 3.28Å; W700-V1141 HydrophobicContact CH2-CG2 3.84Å; W700-F1144 HydrophobicContact CD2-CE2 4.38Å; W700-F1144 AromaticContact CE2-CE2 3.42Å; W700-F1144 VanDerWaalsContact CE2-CE2 3.42Å; W700-F1144 AromaticContact CZ2-CD2 3.78Å; W700-F1144 HydrophobicContact CZ2-CD2 3.78Å; W700-F1144 AromaticContact CZ2-CE2 3.59Å; W700-F1144 HydrophobicContact CZ2-CE2 3.59Å; W700-F1144 AromaticContact NE1-CE2 3.2Å; W700-F1144 AromaticContact NE1-CZ 3.79Å |
| 701 | L | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 169.6 | -67.8 | 174.6 | 0 | 0 | 0 | 110.7 | M645 A659 C685 L688 L689 L697 R698 G704 L705 | M645-L701 HydrophobicContact SD-CD2 4.13Å; A659-L701 HydrophobicContact CB-CD2 4.24Å; C685-L701 HydrophobicContact CB-CD2 4.17Å; L688-L701 HydrophobicContact CB-CD1 3.56Å; L688-L701 HydrophobicContact CD1-CD1 4.43Å; L688-L701 HydrophobicContact CD1-CD2 4.11Å; L689-L701 HydrophobicContact CD2-CB 4.03Å; L689-L701 HydrophobicContact CD2-CD1 4.04Å; L689-L701 HydrophobicContact CG-CB 4.23Å; L689-L701 HydrophobicContact CG-CD1 4.08Å; L697-L701 HydrophobicContact CD1-CD1 4.08Å; L697-L701 HydrophobicContact CD1-CD2 4.2Å; L697-L701 HydrophobicContact CD1-CG 3.88Å; L697-L701 HydrophobicContact CD2-CD1 4.48Å; L697-L701 HydrophobicContact CG-CD1 3.85Å; L697-L701 HydrophobicContact CG-CG 4.14Å; L697-L701 WeakPolarHBondContact O-CB 3.36Å; L697-L701 VanDerWaalsContact O-CG 3.23Å; L697-L701 WeakPolarHBondContact O-CG 3.49Å; L697-L701 PolarHBondContact O-N 3.3Å; R698-L701 PolarHBondContact O-N 2.95Å; L701-G704 PolarHBondContact O-N 3.42Å; L701-L705 WeakPolarHBondContact O-CB 3.4Å; L701-L705 VanDerWaalsContact O-CG 3.27Å; L701-L705 WeakPolarHBondContact O-CG 3.18Å; L701-L705 PolarHBondContact O-N 3.18Å |
| 702 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | L689 R698 Q699 L705 S706 L731 S742 A746 | L689-V702 HydrophobicContact CD2-CG2 4.28Å; R698-V702 VanDerWaalsContact O-CG2 3.31Å; R698-V702 WeakPolarHBondContact O-CG2 3.46Å; R698-V702 PolarHBondContact O-N 2.78Å; Q699-V702 PolarHBondContact O-N 3.17Å; V702-L705 PolarHBondContact O-N 3.47Å; V702-S706 WeakPolarHBondContact O-CB 3.36Å; V702-S706 PolarHBondContact O-N 2.94Å; V702-L731 HydrophobicContact CG2-CD1 3.43Å; V702-L731 VanDerWaalsContact CG2-CD1 3.43Å; V702-S742 WeakPolarHBondContact CG1-O 3.28Å; V702-A746 HydrophobicContact CG1-CB 3.74Å |
| 703 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 177 | -72 | 179.8 | 0 | 0 | 0 | 111.8 | Q699 W700 L705 S706 C707 Y745 F1136 L1137 C1140 | Q699-L703 HydrophobicContact CG-CD1 3.96Å; Q699-L703 HydrophobicContact CG-CG 4.45Å; Q699-L703 WeakPolarHBondContact O-CB 3.38Å; Q699-L703 WeakPolarHBondContact O-CG 3.45Å; Q699-L703 PolarHBondContact O-N 2.66Å; W700-L703 HydrophobicContact CD2-CD1 4.32Å; W700-L703 HydrophobicContact CE3-CB 4.12Å; W700-L703 HydrophobicContact CE3-CD1 4.11Å; W700-L703 HydrophobicContact CH2-CD1 4.2Å; W700-L703 HydrophobicContact CZ2-CD1 4.4Å; W700-L703 HydrophobicContact CZ3-CB 4.38Å; W700-L703 HydrophobicContact CZ3-CD1 4.05Å; L703-L705 PolarHBondContact O-N 2.92Å; L703-S706 WeakPolarHBondContact CA-OG 3.43Å; L703-S706 PolarHBondContact O-N 3.18Å; L703-S706 PolarHBondContact O-OG 2.89Å; L703-C707 PolarHBondContact O-N 2.99Å; L703-C707 PolarHBondContact O-SG 3.33Å; L703-Y745 HydrophobicContact CD2-CD1 3.97Å; L703-Y745 HydrophobicContact CD2-CE1 4.42Å; L703-F1136 HydrophobicContact CD2-CE1 3.93Å; L703-L1137 HydrophobicContact CD1-CD1 4.21Å; L703-L1137 HydrophobicContact CD2-CD1 4.18Å; L703-C1140 HydrophobicContact CD1-CB 3.82Å |
| 704 | G | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y681 W700 L701 L708 | Y681-G704 VanDerWaalsContact OH-C 3.32Å; Y681-G704 VanDerWaalsContact OH-CA 3.28Å; Y681-G704 WeakPolarHBondContact OH-CA 3.35Å; W700-G704 PolarHBondContact O-N 2.92Å; L701-G704 PolarHBondContact O-N 3.42Å; G704-L708 PolarHBondContact O-N 3.26Å |
| 705 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 170.8 | -74.3 | 173.9 | 0 | 0 | 0 | 111.6 | M682 C685 L689 L701 V702 L703 C707 L708 W709 L724 | M682-L705 HydrophobicContact CB-CD2 4.47Å; M682-L705 HydrophobicContact CG-CD2 4.06Å; C685-L705 HydrophobicContact CB-CD1 3.86Å; C685-L705 HydrophobicContact CB-CD2 3.93Å; C685-L705 HydrophobicContact CB-CG 3.89Å; L689-L705 HydrophobicContact CD1-CD1 4.18Å; L701-L705 WeakPolarHBondContact O-CB 3.4Å; L701-L705 VanDerWaalsContact O-CG 3.27Å; L701-L705 WeakPolarHBondContact O-CG 3.18Å; L701-L705 PolarHBondContact O-N 3.18Å; V702-L705 PolarHBondContact O-N 3.47Å; L703-L705 PolarHBondContact O-N 2.92Å; L705-C707 VanDerWaalsContact C-N 3.35Å; L705-C707 PolarHBondContact O-N 3.36Å; L705-L708 WeakPolarHBondContact O-CB 3.38Å; L705-L708 PolarHBondContact O-N 2.86Å; L705-W709 HydrophobicContact CB-CH2 3.61Å; L705-W709 HydrophobicContact CB-CZ2 4.2Å; L705-W709 HydrophobicContact CB-CZ3 3.82Å; L705-W709 HydrophobicContact CD2-CZ3 4.29Å; L705-W709 PolarHBondContact O-N 3.05Å; L705-L724 HydrophobicContact CD1-CD2 4.36Å; L705-L724 HydrophobicContact CD2-CD1 4.14Å |
| 706 | S | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 178.2 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | V702 L703 L708 S710 Y745 | V702-S706 WeakPolarHBondContact O-CB 3.36Å; V702-S706 PolarHBondContact O-N 2.94Å; L703-S706 WeakPolarHBondContact CA-OG 3.43Å; L703-S706 PolarHBondContact O-N 3.18Å; L703-S706 PolarHBondContact O-OG 2.89Å; S706-L708 VanDerWaalsContact C-N 3.29Å; S706-L708 PolarHBondContact O-N 3.31Å; S706-S710 WeakPolarHBondContact O-CB 3.36Å; S706-S710 PolarHBondContact O-N 3.26Å; S706-Y745 WeakPolarHBondContact OG-CD1 3.38Å; S706-Y745 WeakPolarHBondContact OG-CE1 3.08Å |
| 707 | C | 95.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.3 | -30.2 | 178 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | V666 Q673 L703 L705 | V666-C707 HydrophobicContact CG2-CB 3.64Å; Q673-C707 PolarHBondContact NE2-O 3.44Å; L703-C707 PolarHBondContact O-N 2.99Å; L703-C707 PolarHBondContact O-SG 3.33Å; L705-C707 VanDerWaalsContact C-N 3.35Å; L705-C707 PolarHBondContact O-N 3.36Å |
| 708 | L | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 178.1 | -178.4 | 64.3 | 0 | 0 | 0 | 112.7 | V666 Q673 L676 Y681 M682 G704 L705 S706 A715 | V666-L708 HydrophobicContact CG1-CD1 4.35Å; Q673-L708 HydrophobicContact CB-CD1 4.23Å; Q673-L708 WeakPolarHBondContact O-CD1 3.43Å; L676-L708 HydrophobicContact CB-CD1 4Å; Y681-L708 HydrophobicContact CD1-CD2 3.8Å; Y681-L708 HydrophobicContact CE1-CD2 4.04Å; M682-L708 HydrophobicContact CE-CD2 3.35Å; M682-L708 HydrophobicContact CE-CG 4.08Å; M682-L708 HydrophobicContact CG-CD2 3.61Å; M682-L708 HydrophobicContact SD-CD2 4.32Å; G704-L708 PolarHBondContact O-N 3.26Å; L705-L708 WeakPolarHBondContact O-CB 3.38Å; L705-L708 PolarHBondContact O-N 2.86Å; S706-L708 VanDerWaalsContact C-N 3.29Å; S706-L708 PolarHBondContact O-N 3.31Å; L708-A715 HydrophobicContact CG-CB 4.16Å |
| 709 | W | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -95.1 | -8.6 | 178.4 | 56.1 | 62.9 | 0 | 0 | 0 | 114.2 | M682 L705 G711 F712 A715 K716 A719 L724 I728 A746 F750 N753 | M682-W709 HydrophobicContact CE-CE3 4.46Å; L705-W709 HydrophobicContact CB-CH2 3.61Å; L705-W709 HydrophobicContact CB-CZ2 4.2Å; L705-W709 HydrophobicContact CB-CZ3 3.82Å; L705-W709 HydrophobicContact CD2-CZ3 4.29Å; L705-W709 PolarHBondContact O-N 3.05Å; W709-G711 PolarHBondContact O-N 3.45Å; W709-G711 VanDerWaalsContact O-N 3.1Å; W709-F712 PolarHBondContact O-N 3.24Å; W709-A715 HydrophobicContact CB-CB 3.95Å; W709-K716 HydrophobicContact CB-CB 4.23Å; W709-A719 HydrophobicContact CE3-CB 3.53Å; W709-A719 HydrophobicContact CH2-CB 4.46Å; W709-A719 HydrophobicContact CZ3-CB 3.45Å; W709-A719 VanDerWaalsContact CZ3-CB 3.45Å; W709-L724 HydrophobicContact CZ3-CD1 4.25Å; W709-I728 HydrophobicContact CH2-CD1 3.61Å; W709-I728 HydrophobicContact CZ2-CD1 3.74Å; W709-A746 HydrophobicContact CZ2-CB 4.22Å; W709-A746 PolarHBondContact NE1-O 3.44Å; W709-F750 AromaticContact CD2-CE2 4Å; W709-F750 HydrophobicContact CD2-CE2 4Å; W709-F750 HydrophobicContact CD2-CZ 4.14Å; W709-F750 AromaticContact CE2-CD2 3.93Å; W709-F750 AromaticContact CE2-CE2 3.45Å; W709-F750 VanDerWaalsContact CE2-CE2 3.45Å; W709-F750 HydrophobicContact CE3-CE2 4.38Å; W709-F750 HydrophobicContact CE3-CZ 4.24Å; W709-F750 AromaticContact CH2-CE2 3.81Å; W709-F750 HydrophobicContact CH2-CE2 3.81Å; W709-F750 HydrophobicContact CH2-CZ 4.23Å; W709-F750 HydrophobicContact CZ2-CD2 4.09Å; W709-F750 AromaticContact CZ2-CE2 3.37Å; W709-F750 HydrophobicContact CZ2-CE2 3.37Å; W709-F750 HydrophobicContact CZ2-CZ 4.14Å; W709-F750 HydrophobicContact CZ3-CE2 4.29Å; W709-F750 HydrophobicContact CZ3-CZ 4.28Å; W709-F750 AromaticContact NE1-CD2 3.8Å; W709-F750 AromaticContact NE1-CE2 3.81Å; W709-N753 PolarHBondContact O-ND2 3.48Å; W709-N753 PolarHBondContact O-OD1 3.3Å |
| 710 | S | 91.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 19.8 Ų | 19.8 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 116.4 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 111 | Q673 S706 F712 | Q673-S710 PolarHBondContact NE2-O 3.14Å; S706-S710 WeakPolarHBondContact O-CB 3.36Å; S706-S710 PolarHBondContact O-N 3.26Å; S710-F712 PolarHBondContact O-N 2.88Å |
| 711 | G | 88.1 | Confident | 92.9 | Very high | 61 Ų | 61 | 28.4 Ų | 28.4 | 63% | 0.629 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 12 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | W709 N753 | W709-G711 PolarHBondContact O-N 3.45Å; W709-G711 VanDerWaalsContact O-N 3.1Å; G711-N753 WeakPolarHBondContact CA-OD1 3.41Å; G711-N753 PolarHBondContact N-OD1 3.34Å |
| 712 | F | 90.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 31 Ų | 31 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | trans | -132.2 | 97.3 | -173.2 | -170.4 | -143.6 | 0 | 0 | 0 | 113 | Q673 R674 L677 W709 S710 E714 A715 K716 | Q673-F712 HydrophobicContact CB-CD1 3.78Å; Q673-F712 HydrophobicContact CB-CE1 4.09Å; R674-F712 HydrophobicContact CG-CE1 4.36Å; R674-F712 HydrophobicContact CG-CE2 4.42Å; R674-F712 HydrophobicContact CG-CZ 3.82Å; L677-F712 HydrophobicContact CB-CE1 4.37Å; L677-F712 HydrophobicContact CD2-CE1 3.62Å; L677-F712 HydrophobicContact CD2-CZ 3.83Å; W709-F712 PolarHBondContact O-N 3.24Å; S710-F712 PolarHBondContact O-N 2.88Å; F712-E714 HydrophobicContact CD2-CB 4.49Å; F712-E714 HydrophobicContact CE2-CB 3.86Å; F712-E714 HydrophobicContact CZ-CB 3.86Å; F712-E714 PolarHBondContact O-N 3.47Å; F712-A715 HydrophobicContact CD1-CB 3.46Å; F712-A715 VanDerWaalsContact CD1-CB 3.46Å; F712-A715 HydrophobicContact CE1-CB 3.94Å; F712-A715 HydrophobicContact CG-CB 4.22Å; F712-A715 PolarHBondContact O-N 2.98Å; F712-K716 PolarHBondContact O-N 3.44Å | ||
| 713 | E | 88.3 | Confident | 92.4 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | -174.2 | -81.2 | -67.9 | 140 | 0 | 0 | 114.2 | A715 K716 W717 N753 | E713-A715 VanDerWaalsContact C-N 3.32Å; E713-A715 PolarHBondContact O-N 2.91Å; E713-K716 WeakPolarHBondContact O-CB 3.45Å; E713-K716 PolarHBondContact O-N 2.88Å; E713-K716 IonicContact OE1-NZ 3.29Å; E713-W717 PolarHBondContact O-N 2.93Å; E713-W717 PolarHBondContact OE2-NE1 3.46Å; E713-N753 WeakPolarHBondContact OE1-CB 3.5Å |
| 714 | E | 89.9 | Confident | 92.2 | Very high | 128 Ų | 128 | 34.2 Ų | 34.2 | 60% | 0.598 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.4 | -43.7 | -178.8 | -166.7 | -178.8 | 175.6 | 0 | 0 | 111.5 | L677 F712 L718 | L677-E714 HydrophobicContact CD2-CB 4.15Å; L677-E714 HydrophobicContact CD2-CG 3.83Å; F712-E714 HydrophobicContact CD2-CB 4.49Å; F712-E714 HydrophobicContact CE2-CB 3.86Å; F712-E714 HydrophobicContact CZ-CB 3.86Å; F712-E714 PolarHBondContact O-N 3.47Å; E714-L718 PolarHBondContact O-N 3.36Å; E714-L718 VanDerWaalsContact O-N 3.09Å |
| 715 | A | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L677 M682 L708 W709 F712 E713 W717 L718 A719 | L677-A715 HydrophobicContact CD1-CB 3.91Å; M682-A715 HydrophobicContact CE-CB 3.79Å; M682-A715 VanDerWaalsContact CE-O 3.32Å; M682-A715 WeakPolarHBondContact CE-O 3.35Å; L708-A715 HydrophobicContact CG-CB 4.16Å; W709-A715 HydrophobicContact CB-CB 3.95Å; F712-A715 HydrophobicContact CD1-CB 3.46Å; F712-A715 VanDerWaalsContact CD1-CB 3.46Å; F712-A715 HydrophobicContact CE1-CB 3.94Å; F712-A715 HydrophobicContact CG-CB 4.22Å; F712-A715 PolarHBondContact O-N 2.98Å; E713-A715 VanDerWaalsContact C-N 3.32Å; E713-A715 PolarHBondContact O-N 2.91Å; A715-W717 PolarHBondContact O-N 3.48Å; A715-L718 PolarHBondContact O-N 3.05Å; A715-A719 WeakPolarHBondContact O-CB 3.38Å; A715-A719 PolarHBondContact O-N 3.13Å |
| 716 | K | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.3 | -52.3 | 175.2 | 168.2 | 175.6 | 169.5 | -178.3 | 0 | 111.5 | W709 F712 E713 L718 A719 V720 F750 N753 N762 | W709-K716 HydrophobicContact CB-CB 4.23Å; F712-K716 PolarHBondContact O-N 3.44Å; E713-K716 WeakPolarHBondContact O-CB 3.45Å; E713-K716 PolarHBondContact O-N 2.88Å; E713-K716 IonicContact OE1-NZ 3.29Å; K716-L718 PolarHBondContact O-N 3.32Å; K716-A719 WeakPolarHBondContact O-CB 3.47Å; K716-A719 PolarHBondContact O-N 3.38Å; K716-V720 WeakPolarHBondContact O-CG2 3.34Å; K716-V720 PolarHBondContact O-N 3.05Å; K716-F750 HydrophobicContact CB-CE1 4.41Å; K716-F750 HydrophobicContact CD-CD1 4.06Å; K716-F750 HydrophobicContact CG-CD1 3.61Å; K716-F750 HydrophobicContact CG-CE1 3.67Å; K716-F750 PolarHBondContact NZ-O 3.49Å; K716-N753 HydrophobicContact CD-CB 4.07Å; K716-N762 PolarHBondContact NZ-OD1 2.96Å |
| 717 | W | 91 | Very high | 91.6 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71 | -30.8 | -177.7 | -71 | 108.6 | 0 | 0 | 0 | 113.5 | E713 A715 V720 R721 Q761 N762 | E713-W717 PolarHBondContact O-N 2.93Å; E713-W717 PolarHBondContact OE2-NE1 3.46Å; A715-W717 PolarHBondContact O-N 3.48Å; W717-V720 HydrophobicContact CE3-CB 4.34Å; W717-V720 HydrophobicContact CE3-CG2 4.32Å; W717-V720 PolarHBondContact O-N 3.5Å; W717-R721 WeakPolarHBondContact O-CG 3.07Å; W717-R721 PolarHBondContact O-N 2.9Å; W717-R721 VanDerWaalsContact O-N 3.09Å; W717-Q761 HydrophobicContact CH2-CG 4.49Å; W717-Q761 HydrophobicContact CZ3-CG 4.28Å; W717-N762 HydrophobicContact CH2-CB 3.78Å; W717-N762 HydrophobicContact CZ2-CB 3.88Å |
| 718 | L | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 42 Ų | 42 | 29% | 0.293 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 170.6 | -174.4 | 60.7 | 0 | 0 | 0 | 111.1 | L677 M682 E714 A715 K716 V720 R721 C722 | L677-L718 HydrophobicContact CD1-CB 4.44Å; L677-L718 HydrophobicContact CD1-CD2 3.5Å; L677-L718 VanDerWaalsContact CD1-CD2 3.5Å; L677-L718 HydrophobicContact CG-CD2 4.33Å; M682-L718 HydrophobicContact CE-CB 4.41Å; M682-L718 HydrophobicContact CE-CD2 4.46Å; M682-L718 HydrophobicContact SD-CB 4.22Å; M682-L718 HydrophobicContact SD-CD2 3.78Å; M682-L718 HydrophobicContact SD-CG 3.88Å; E714-L718 PolarHBondContact O-N 3.36Å; E714-L718 VanDerWaalsContact O-N 3.09Å; A715-L718 PolarHBondContact O-N 3.05Å; K716-L718 PolarHBondContact O-N 3.32Å; L718-V720 VanDerWaalsContact C-N 3.3Å; L718-V720 PolarHBondContact O-N 2.91Å; L718-R721 PolarHBondContact O-N 2.64Å; L718-R721 VanDerWaalsContact O-N 3.17Å; L718-C722 WeakPolarHBondContact O-CB 3.49Å; L718-C722 PolarHBondContact O-N 3.3Å; L718-C722 PolarHBondContact O-SG 2.92Å; L718-C722 VanDerWaalsContact O-SG 3.37Å |
| 719 | A | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | M682 W709 A715 K716 C722 T723 L724 F750 | M682-A719 HydrophobicContact CE-CB 4.32Å; M682-A719 HydrophobicContact SD-CB 4.47Å; W709-A719 HydrophobicContact CE3-CB 3.53Å; W709-A719 HydrophobicContact CH2-CB 4.46Å; W709-A719 HydrophobicContact CZ3-CB 3.45Å; W709-A719 VanDerWaalsContact CZ3-CB 3.45Å; A715-A719 WeakPolarHBondContact O-CB 3.38Å; A715-A719 PolarHBondContact O-N 3.13Å; K716-A719 WeakPolarHBondContact O-CB 3.47Å; K716-A719 PolarHBondContact O-N 3.38Å; A719-C722 CarbonylContact O-C 3.18Å; A719-C722 PolarHBondContact O-N 2.87Å; A719-T723 PolarHBondContact O-N 3.26Å; A719-L724 HydrophobicContact CB-CB 4.18Å; A719-L724 HydrophobicContact CB-CD1 3.98Å; A719-L724 PolarHBondContact O-N 2.84Å; A719-F750 HydrophobicContact CB-CZ 3.92Å |
| 720 | V | 91.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 172.9 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | K716 W717 L718 C722 T723 H725 F750 L765 | K716-V720 WeakPolarHBondContact O-CG2 3.34Å; K716-V720 PolarHBondContact O-N 3.05Å; W717-V720 HydrophobicContact CE3-CB 4.34Å; W717-V720 HydrophobicContact CE3-CG2 4.32Å; W717-V720 PolarHBondContact O-N 3.5Å; L718-V720 VanDerWaalsContact C-N 3.3Å; L718-V720 PolarHBondContact O-N 2.91Å; V720-C722 PolarHBondContact O-N 3.42Å; V720-T723 PolarHBondContact O-N 3.41Å; V720-H725 PolarHBondContact O-CE1 3.37Å; V720-F750 HydrophobicContact CG2-CE1 3.86Å; V720-L765 HydrophobicContact CG2-CD2 3.54Å |
| 721 | R | 90.8 | Very high | 91.7 | Very high | 183 Ų | 183 | 50.7 Ų | 50.7 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.4 | -31.3 | 178.8 | -68 | 177.8 | -160.6 | 118 | 1.6 | 112.9 | W717 L718 T723 | W717-R721 WeakPolarHBondContact O-CG 3.07Å; W717-R721 PolarHBondContact O-N 2.9Å; W717-R721 VanDerWaalsContact O-N 3.09Å; L718-R721 PolarHBondContact O-N 2.64Å; L718-R721 VanDerWaalsContact O-N 3.17Å; R721-T723 VanDerWaalsContact C-N 3.26Å; R721-T723 PolarHBondContact O-N 3.13Å |
| 722 | C | 89.6 | Confident | 92.1 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 37% | 0.365 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 11 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | L718 A719 V720 L724 | L718-C722 WeakPolarHBondContact O-CB 3.49Å; L718-C722 PolarHBondContact O-N 3.3Å; L718-C722 PolarHBondContact O-SG 2.92Å; L718-C722 VanDerWaalsContact O-SG 3.37Å; A719-C722 CarbonylContact O-C 3.18Å; A719-C722 PolarHBondContact O-N 2.87Å; V720-C722 PolarHBondContact O-N 3.42Å; C722-L724 HydrophobicContact CB-CG 4.3Å; C722-L724 PolarHBondContact O-N 3.27Å |
| 723 | T | 91.8 | Very high | 92.2 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 25.7 | -179.2 | 64.8 | 0 | 0 | 0 | 0 | 115 | A719 V720 R721 H725 E726 K727 | A719-T723 PolarHBondContact O-N 3.26Å; V720-T723 PolarHBondContact O-N 3.41Å; R721-T723 VanDerWaalsContact C-N 3.26Å; R721-T723 PolarHBondContact O-N 3.13Å; T723-H725 VanDerWaalsContact C-N 3.29Å; T723-H725 PolarHBondContact O-N 3.39Å; T723-E726 PolarHBondContact O-N 2.99Å; T723-K727 PolarHBondContact O-N 2.78Å |
| 724 | L | 92.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -32.3 | -179.4 | -78.7 | 175.7 | 0 | 0 | 0 | 112.7 | M682 L705 W709 A719 C722 E726 K727 I728 | M682-L724 HydrophobicContact CB-CD1 4.19Å; M682-L724 HydrophobicContact CG-CD1 4.28Å; M682-L724 HydrophobicContact SD-CD1 4.23Å; L705-L724 HydrophobicContact CD1-CD2 4.36Å; L705-L724 HydrophobicContact CD2-CD1 4.14Å; W709-L724 HydrophobicContact CZ3-CD1 4.25Å; A719-L724 HydrophobicContact CB-CB 4.18Å; A719-L724 HydrophobicContact CB-CD1 3.98Å; A719-L724 PolarHBondContact O-N 2.84Å; C722-L724 HydrophobicContact CB-CG 4.3Å; C722-L724 PolarHBondContact O-N 3.27Å; L724-E726 VanDerWaalsContact C-N 3.33Å; L724-E726 PolarHBondContact O-N 3.13Å; L724-K727 HydrophobicContact CD2-CD 4.47Å; L724-K727 PolarHBondContact O-N 3.42Å; L724-I728 WeakPolarHBondContact O-CG1 3.45Å; L724-I728 PolarHBondContact O-N 3.38Å |
| 725 | H | 91.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | 176.7 | 63.2 | -71.2 | 0 | 0 | 0 | 112.6 | V720 T723 I728 F729 F750 | V720-H725 PolarHBondContact O-CE1 3.37Å; T723-H725 VanDerWaalsContact C-N 3.29Å; T723-H725 PolarHBondContact O-N 3.39Å; H725-I728 PolarHBondContact O-N 2.98Å; H725-F729 WeakPolarHBondContact O-CD1 3.21Å; H725-F729 WeakPolarHBondContact O-CG 3.32Å; H725-F729 PolarHBondContact O-N 3.09Å; H725-F729 VanDerWaalsContact O-N 3.13Å; H725-F750 HydrophobicContact CB-CE2 4.46Å; H725-F750 HydrophobicContact CB-CZ 4.32Å |
| 726 | E | 91.7 | Very high | 92.6 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 174.5 | -62.9 | -177.4 | 169 | 0 | 0 | 111.1 | T723 L724 I728 F729 E730 | T723-E726 PolarHBondContact O-N 2.99Å; L724-E726 VanDerWaalsContact C-N 3.33Å; L724-E726 PolarHBondContact O-N 3.13Å; E726-I728 VanDerWaalsContact C-N 3.28Å; E726-I728 PolarHBondContact O-N 3.35Å; E726-F729 VanDerWaalsContact O-CB 3.3Å; E726-F729 WeakPolarHBondContact O-CB 3.48Å; E726-F729 PolarHBondContact O-N 3.11Å; E726-E730 PolarHBondContact O-N 3.5Å |
| 727 | K | 92.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 172.5 | -66.6 | -166.9 | 174.9 | -163.2 | 0 | 112.4 | S686 N690 T723 L724 F729 E730 L731 | S686-K727 PolarHBondContact O-NZ 2.73Å; S686-K727 WeakPolarHBondContact OG-CE 3.3Å; S686-K727 PolarHBondContact OG-NZ 3.35Å; N690-K727 PolarHBondContact OD1-NZ 2.95Å; T723-K727 PolarHBondContact O-N 2.78Å; L724-K727 HydrophobicContact CD2-CD 4.47Å; L724-K727 PolarHBondContact O-N 3.42Å; K727-F729 VanDerWaalsContact C-N 3.26Å; K727-F729 PolarHBondContact O-N 3.33Å; K727-E730 WeakPolarHBondContact O-CB 3.27Å; K727-E730 PolarHBondContact O-N 3.33Å; K727-L731 PolarHBondContact O-N 2.56Å |
| 728 | I | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -30.2 | 175.6 | -68.1 | 168.9 | 0 | 0 | 0 | 111.3 | W709 L724 H725 E726 E730 L731 L732 A746 L747 | W709-I728 HydrophobicContact CH2-CD1 3.61Å; W709-I728 HydrophobicContact CZ2-CD1 3.74Å; L724-I728 WeakPolarHBondContact O-CG1 3.45Å; L724-I728 PolarHBondContact O-N 3.38Å; H725-I728 PolarHBondContact O-N 2.98Å; E726-I728 VanDerWaalsContact C-N 3.28Å; E726-I728 PolarHBondContact O-N 3.35Å; I728-E730 VanDerWaalsContact C-N 3.31Å; I728-E730 PolarHBondContact O-N 3.47Å; I728-L731 PolarHBondContact O-N 2.96Å; I728-L731 VanDerWaalsContact O-N 3.15Å; I728-L732 PolarHBondContact O-N 3.08Å; I728-A746 HydrophobicContact CD1-CB 4.21Å; I728-L747 HydrophobicContact CB-CD2 4.48Å; I728-L747 HydrophobicContact CG2-CD1 4.1Å; I728-L747 HydrophobicContact CG2-CD2 3.97Å; I728-L747 HydrophobicContact CG2-CG 3.77Å |
| 729 | F | 94.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 174.1 | -61.6 | -25.5 | 0 | 0 | 0 | 112.4 | H725 E726 K727 L731 L732 L747 T768 I769 T772 | H725-F729 WeakPolarHBondContact O-CD1 3.21Å; H725-F729 WeakPolarHBondContact O-CG 3.32Å; H725-F729 PolarHBondContact O-N 3.09Å; H725-F729 VanDerWaalsContact O-N 3.13Å; E726-F729 VanDerWaalsContact O-CB 3.3Å; E726-F729 WeakPolarHBondContact O-CB 3.48Å; E726-F729 PolarHBondContact O-N 3.11Å; K727-F729 VanDerWaalsContact C-N 3.26Å; K727-F729 PolarHBondContact O-N 3.33Å; F729-L731 VanDerWaalsContact C-N 3.26Å; F729-L731 PolarHBondContact O-N 3.02Å; F729-L732 HydrophobicContact CD1-CD1 4.22Å; F729-L732 WeakPolarHBondContact O-CB 3.4Å; F729-L732 PolarHBondContact O-N 3.36Å; F729-L747 HydrophobicContact CD1-CD1 3.94Å; F729-L747 HydrophobicContact CD1-CD2 4.27Å; F729-L747 HydrophobicContact CE1-CD1 3.92Å; F729-L747 HydrophobicContact CE1-CD2 3.8Å; F729-T768 HydrophobicContact CE2-CG2 4.23Å; F729-T768 HydrophobicContact CZ-CG2 4.41Å; F729-I769 HydrophobicContact CE1-CB 4.47Å; F729-I769 HydrophobicContact CE1-CG1 3.95Å; F729-I769 HydrophobicContact CZ-CG1 3.79Å; F729-T772 HydrophobicContact CB-CG2 4.36Å; F729-T772 HydrophobicContact CD1-CG2 4.07Å; F729-T772 HydrophobicContact CE1-CG2 4.49Å; F729-T772 HydrophobicContact CG-CG2 4.11Å |
| 730 | E | 93.5 | Very high | 93.1 | Very high | 144 Ų | 144 | 43.6 Ų | 43.6 | 67% | 0.673 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.6 | -37.6 | 174.6 | -61.4 | 176.7 | -179.3 | 0 | 0 | 111.3 | E726 K727 I728 L732 S733 | E726-E730 PolarHBondContact O-N 3.5Å; K727-E730 WeakPolarHBondContact O-CB 3.27Å; K727-E730 PolarHBondContact O-N 3.33Å; I728-E730 VanDerWaalsContact C-N 3.31Å; I728-E730 PolarHBondContact O-N 3.47Å; E730-L732 VanDerWaalsContact C-N 3.26Å; E730-L732 PolarHBondContact O-N 3.05Å; E730-S733 WeakPolarHBondContact O-CB 3.37Å; E730-S733 PolarHBondContact O-N 3.38Å |
| 731 | L | 95 | Very high | 93.3 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.2 | -11.1 | 178.6 | -59.3 | 176.8 | 0 | 0 | 0 | 114 | L689 V702 K727 I728 F729 S733 D734 S743 | L689-L731 HydrophobicContact CD1-CD1 4.39Å; L689-L731 HydrophobicContact CD2-CD1 3.94Å; V702-L731 HydrophobicContact CG2-CD1 3.43Å; V702-L731 VanDerWaalsContact CG2-CD1 3.43Å; K727-L731 PolarHBondContact O-N 2.56Å; I728-L731 PolarHBondContact O-N 2.96Å; I728-L731 VanDerWaalsContact O-N 3.15Å; F729-L731 VanDerWaalsContact C-N 3.26Å; F729-L731 PolarHBondContact O-N 3.02Å; L731-S733 PolarHBondContact O-N 2.81Å; L731-D734 WeakPolarHBondContact O-CB 3.31Å; L731-D734 PolarHBondContact O-N 2.99Å; L731-S743 WeakPolarHBondContact CB-OG 3.43Å |
| 732 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.8 | 166 | -60.7 | 175.9 | 0 | 0 | 0 | 111.3 | I728 F729 E730 R740 L747 T772 M773 L777 R1354 | I728-L732 PolarHBondContact O-N 3.08Å; F729-L732 HydrophobicContact CD1-CD1 4.22Å; F729-L732 WeakPolarHBondContact O-CB 3.4Å; F729-L732 PolarHBondContact O-N 3.36Å; E730-L732 VanDerWaalsContact C-N 3.26Å; E730-L732 PolarHBondContact O-N 3.05Å; L732-R740 WeakPolarHBondContact O-CG 3.4Å; L732-L747 HydrophobicContact CD1-CD1 3.88Å; L732-L747 HydrophobicContact CD2-CD1 4.05Å; L732-L747 HydrophobicContact CG-CD1 4.3Å; L732-T772 HydrophobicContact CD1-CG2 3.99Å; L732-M773 HydrophobicContact CD1-CG 4.48Å; L732-L777 HydrophobicContact CB-CD2 4.36Å; L732-L777 HydrophobicContact CD2-CD1 4.1Å; L732-L777 HydrophobicContact CD2-CD2 4.11Å; L732-L777 HydrophobicContact CD2-CG 4.43Å; L732-R1354 VanDerWaalsContact O-CZ 3.26Å; L732-R1354 PolarHBondContact O-NH1 3.15Å; L732-R1354 PolarHBondContact O-NH2 3.26Å |
| 733 | S | 93.5 | Very high | 94 | Very high | 83 Ų | 83 | 31.4 Ų | 31.4 | 58% | 0.58 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 5.7 | 176.5 | -67 | 0 | 0 | 0 | 0 | 114 | E730 L731 R1354 | E730-S733 WeakPolarHBondContact O-CB 3.37Å; E730-S733 PolarHBondContact O-N 3.38Å; L731-S733 PolarHBondContact O-N 2.81Å; S733-R1354 PolarHBondContact O-NH1 3.45Å |
| 734 | D | 94.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | trans | -59.2 | 142.3 | -173.3 | -162.8 | -74.8 | 0 | 0 | 0 | 113.4 | R698 L731 V736 V739 R740 | R698-D734 IonicContact CZ-OD1 3.64Å; R698-D734 IonicContact CZ-OD2 2.68Å; R698-D734 IonicContact NE-OD2 2.83Å; R698-D734 PolarHBondContact NE-OD2 3Å; R698-D734 IonicContact NH2-OD1 2.75Å; R698-D734 PolarHBondContact NH2-OD1 3.4Å; R698-D734 IonicContact NH2-OD2 3.71Å; R698-D734 PolarHBondContact NH2-OD2 2.94Å; L731-D734 WeakPolarHBondContact O-CB 3.31Å; L731-D734 PolarHBondContact O-N 2.99Å; D734-V736 PolarHBondContact O-N 3.31Å; D734-V736 PolarHBondContact OD1-N 3.11Å; D734-V739 HydrophobicContact CB-CB 4.08Å; D734-V739 HydrophobicContact CB-CG1 3.94Å; D734-V739 WeakPolarHBondContact OD2-CG1 3.44Å; D734-R740 HydrophobicContact CB-CG 4.37Å; D734-R740 WeakPolarHBondContact O-CD 3.26Å; D734-R740 PolarHBondContact O-NH1 3.29Å | ||
| 735 | P | 91.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 30.1 Ų | 30.1 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -59.5 | -29.1 | 175.5 | 22.5 | -34.2 | 0 | 0 | 0 | 113 | R740 Q1352 | P735-R740 PolarHBondContact O-NH1 3.36Å; P735-R740 VanDerWaalsContact O-NH1 3.1Å; P735-Q1352 HydrophobicContact CB-CG 4.02Å; P735-Q1352 VanDerWaalsContact O-CA 3.24Å; P735-Q1352 WeakPolarHBondContact O-CA 3.45Å; P735-Q1352 WeakPolarHBondContact O-CB 3.49Å |
| 736 | V | 92.5 | Very high | 94.6 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 29% | 0.291 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -95 | 125.2 | -176.4 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | A695 D734 I738 V739 R740 | A695-V736 HydrophobicContact CB-CB 4.19Å; A695-V736 HydrophobicContact CB-CG1 4.42Å; A695-V736 HydrophobicContact CB-CG2 3.61Å; D734-V736 PolarHBondContact O-N 3.31Å; D734-V736 PolarHBondContact OD1-N 3.11Å; V736-I738 VanDerWaalsContact C-N 3.34Å; V736-I738 HydrophobicContact CG1-CG2 3.78Å; V736-I738 PolarHBondContact O-N 3.36Å; V736-V739 HydrophobicContact CB-CG2 4.11Å; V736-V739 PolarHBondContact O-N 2.99Å; V736-V739 VanDerWaalsContact O-N 3.15Å; V736-R740 PolarHBondContact O-N 3.33Å |
| 737 | S | 93.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 24 Ų | 24 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -37.4 | -177.2 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | V739 R740 A741 V785 E1353 | S737-V739 VanDerWaalsContact C-N 3.3Å; S737-V739 PolarHBondContact O-N 3.48Å; S737-R740 WeakPolarHBondContact O-CB 3.4Å; S737-R740 PolarHBondContact O-N 2.93Å; S737-A741 PolarHBondContact O-N 3.39Å; S737-V785 WeakPolarHBondContact O-CG2 3.42Å; S737-E1353 WeakPolarHBondContact CB-OE1 3.49Å; S737-E1353 PolarHBondContact OG-OE1 3.17Å |
| 738 | I | 92 | Very high | 94.8 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.6 | -32.5 | 179.1 | -160.6 | 67.4 | 0 | 0 | 0 | 112.8 | Q699 V736 S742 L784 F1136 | Q699-I738 HydrophobicContact CG-CG1 4.34Å; Q699-I738 HydrophobicContact CG-CG2 4.48Å; V736-I738 VanDerWaalsContact C-N 3.34Å; V736-I738 HydrophobicContact CG1-CG2 3.78Å; V736-I738 PolarHBondContact O-N 3.36Å; I738-S742 WeakPolarHBondContact O-CB 3.4Å; I738-S742 PolarHBondContact O-N 2.82Å; I738-S742 PolarHBondContact O-OG 3.49Å; I738-L784 HydrophobicContact CD1-CD2 3.55Å; I738-F1136 HydrophobicContact CD1-CE2 3.58Å; I738-F1136 HydrophobicContact CD1-CZ 3.95Å |
| 739 | V | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.5 | -41.4 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | A695 R698 Q699 D734 V736 S737 S742 S743 | A695-V739 HydrophobicContact CB-CG2 4.26Å; A695-V739 WeakPolarHBondContact O-CG2 3.39Å; R698-V739 HydrophobicContact CB-CG1 4.2Å; R698-V739 HydrophobicContact CB-CG2 4.4Å; Q699-V739 HydrophobicContact CB-CG2 4.33Å; D734-V739 HydrophobicContact CB-CB 4.08Å; D734-V739 HydrophobicContact CB-CG1 3.94Å; D734-V739 WeakPolarHBondContact OD2-CG1 3.44Å; V736-V739 HydrophobicContact CB-CG2 4.11Å; V736-V739 PolarHBondContact O-N 2.99Å; V736-V739 VanDerWaalsContact O-N 3.15Å; S737-V739 VanDerWaalsContact C-N 3.3Å; S737-V739 PolarHBondContact O-N 3.48Å; V739-S742 WeakPolarHBondContact O-CB 3.22Å; V739-S742 PolarHBondContact O-N 2.92Å; V739-S743 PolarHBondContact O-N 3.18Å; V739-S743 PolarHBondContact O-OG 2.83Å |
| 740 | R | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 171.3 | -83.3 | 133.6 | 48.5 | -169.1 | -4.1 | 113.4 | L732 D734 P735 V736 S737 S742 S743 A744 D780 V785 Q1352 E1353 R1354 | L732-R740 WeakPolarHBondContact O-CG 3.4Å; D734-R740 HydrophobicContact CB-CG 4.37Å; D734-R740 WeakPolarHBondContact O-CD 3.26Å; D734-R740 PolarHBondContact O-NH1 3.29Å; P735-R740 PolarHBondContact O-NH1 3.36Å; P735-R740 VanDerWaalsContact O-NH1 3.1Å; V736-R740 PolarHBondContact O-N 3.33Å; S737-R740 WeakPolarHBondContact O-CB 3.4Å; S737-R740 PolarHBondContact O-N 2.93Å; R740-S742 VanDerWaalsContact C-N 3.27Å; R740-S742 PolarHBondContact O-N 3.5Å; R740-S743 WeakPolarHBondContact O-CB 2.85Å; R740-S743 PolarHBondContact O-N 3.37Å; R740-A744 WeakPolarHBondContact O-CB 3.3Å; R740-A744 PolarHBondContact O-N 2.96Å; R740-D780 IonicContact CZ-OD1 3.75Å; R740-D780 IonicContact CZ-OD2 3.8Å; R740-D780 IonicContact NE-OD1 3.77Å; R740-D780 IonicContact NE-OD2 3.9Å; R740-D780 PolarHBondContact NE-OD2 2.9Å; R740-D780 VanDerWaalsContact NE-OD2 3.11Å; R740-D780 IonicContact NH2-OD1 3.05Å; R740-D780 PolarHBondContact NH2-OD1 2.91Å; R740-D780 IonicContact NH2-OD2 2.61Å; R740-D780 PolarHBondContact NH2-OD2 3.44Å; R740-V785 HydrophobicContact CB-CG1 4.2Å; R740-V785 HydrophobicContact CB-CG2 3.73Å; R740-Q1352 PolarHBondContact NH1-O 3.46Å; R740-Q1352 PolarHBondContact NH2-O 2.9Å; R740-E1353 PolarHBondContact NH2-O 3.21Å; R740-R1354 VanDerWaalsContact CG-NH2 3.31Å; R740-R1354 VanDerWaalsContact CZ-CD 3.45Å |
| 741 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S737 S743 A744 Y745 L784 V785 E788 F1136 | S737-A741 PolarHBondContact O-N 3.39Å; A741-S743 PolarHBondContact O-N 3.49Å; A741-A744 PolarHBondContact O-N 3.5Å; A741-Y745 WeakPolarHBondContact O-CB 3.45Å; A741-Y745 PolarHBondContact O-N 2.97Å; A741-L784 HydrophobicContact CB-CD2 4.18Å; A741-L784 HydrophobicContact CB-CG 3.91Å; A741-V785 HydrophobicContact CB-CG2 4.15Å; A741-E788 HydrophobicContact CB-CG 4.12Å; A741-F1136 HydrophobicContact CB-CD2 4.41Å; A741-F1136 HydrophobicContact CB-CE2 3.53Å; A741-F1136 HydrophobicContact CB-CZ 3.6Å |
| 742 | S | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | Q699 V702 I738 V739 R740 Y745 A746 F1136 | Q699-S742 WeakPolarHBondContact CG-OG 3.4Å; V702-S742 WeakPolarHBondContact CG1-O 3.28Å; I738-S742 WeakPolarHBondContact O-CB 3.4Å; I738-S742 PolarHBondContact O-N 2.82Å; I738-S742 PolarHBondContact O-OG 3.49Å; V739-S742 WeakPolarHBondContact O-CB 3.22Å; V739-S742 PolarHBondContact O-N 2.92Å; R740-S742 VanDerWaalsContact C-N 3.27Å; R740-S742 PolarHBondContact O-N 3.5Å; S742-Y745 PolarHBondContact O-N 3.15Å; S742-A746 VanDerWaalsContact O-CB 3.3Å; S742-A746 WeakPolarHBondContact O-CB 3.42Å; S742-A746 PolarHBondContact O-N 3.38Å; S742-F1136 WeakPolarHBondContact OG-CZ 3.37Å |
| 743 | S | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | L731 V739 R740 A741 A746 L747 | L731-S743 WeakPolarHBondContact CB-OG 3.43Å; V739-S743 PolarHBondContact O-N 3.18Å; V739-S743 PolarHBondContact O-OG 2.83Å; R740-S743 WeakPolarHBondContact O-CB 2.85Å; R740-S743 PolarHBondContact O-N 3.37Å; A741-S743 PolarHBondContact O-N 3.49Å; S743-A746 PolarHBondContact O-N 3.04Å; S743-L747 WeakPolarHBondContact O-CG 3.39Å; S743-L747 PolarHBondContact O-N 2.73Å |
| 744 | A | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R740 A741 L747 G748 M773 L777 E788 | R740-A744 WeakPolarHBondContact O-CB 3.3Å; R740-A744 PolarHBondContact O-N 2.96Å; A741-A744 PolarHBondContact O-N 3.5Å; A744-L747 PolarHBondContact O-N 2.99Å; A744-G748 PolarHBondContact O-N 2.65Å; A744-M773 HydrophobicContact CB-CE 3.96Å; A744-L777 HydrophobicContact CB-CD1 3.68Å; A744-E788 HydrophobicContact CB-CB 3.92Å |
| 745 | Y | 96.1 | Very high | 89.9 | Confident | 40 Ų | 40 | 25.5 Ų | 25.5 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 173.5 | 178.1 | -95.9 | 0 | 0 | 0 | 111.5 | L703 S706 A741 S742 L747 G748 C749 E788 F1136 | L703-Y745 HydrophobicContact CD2-CD1 3.97Å; L703-Y745 HydrophobicContact CD2-CE1 4.42Å; S706-Y745 WeakPolarHBondContact OG-CD1 3.38Å; S706-Y745 WeakPolarHBondContact OG-CE1 3.08Å; A741-Y745 WeakPolarHBondContact O-CB 3.45Å; A741-Y745 PolarHBondContact O-N 2.97Å; S742-Y745 PolarHBondContact O-N 3.15Å; Y745-L747 PolarHBondContact O-N 2.79Å; Y745-G748 WeakPolarHBondContact O-CA 3.42Å; Y745-G748 PolarHBondContact O-N 3.27Å; Y745-G748 VanDerWaalsContact O-N 3.13Å; Y745-C749 PolarHBondContact O-N 3.03Å; Y745-C749 PolarHBondContact O-SG 3.47Å; Y745-C749 VanDerWaalsContact O-SG 3.42Å; Y745-E788 WeakPolarHBondContact CD2-OE2 3.33Å; Y745-F1136 HydrophobicContact CD2-CD1 4.04Å; Y745-F1136 AromaticContact CG-CD1 3.97Å; Y745-F1136 HydrophobicContact CG-CD1 3.97Å; Y745-F1136 HydrophobicContact CG-CE1 4.39Å |
| 746 | A | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V702 W709 I728 S742 S743 C749 F750 | V702-A746 HydrophobicContact CG1-CB 3.74Å; W709-A746 HydrophobicContact CZ2-CB 4.22Å; W709-A746 PolarHBondContact NE1-O 3.44Å; I728-A746 HydrophobicContact CD1-CB 4.21Å; S742-A746 VanDerWaalsContact O-CB 3.3Å; S742-A746 WeakPolarHBondContact O-CB 3.42Å; S742-A746 PolarHBondContact O-N 3.38Å; S743-A746 PolarHBondContact O-N 3.04Å; A746-C749 WeakPolarHBondContact O-CB 3.33Å; A746-C749 PolarHBondContact O-N 3.27Å; A746-F750 WeakPolarHBondContact O-CD2 3.28Å; A746-F750 PolarHBondContact O-N 2.93Å |
| 747 | L | 95.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.5 | -35.3 | 173.6 | -67.4 | 175.9 | 0 | 0 | 0 | 112.2 | I728 F729 L732 S743 A744 Y745 C749 F750 M751 I769 M773 | I728-L747 HydrophobicContact CB-CD2 4.48Å; I728-L747 HydrophobicContact CG2-CD1 4.1Å; I728-L747 HydrophobicContact CG2-CD2 3.97Å; I728-L747 HydrophobicContact CG2-CG 3.77Å; F729-L747 HydrophobicContact CD1-CD1 3.94Å; F729-L747 HydrophobicContact CD1-CD2 4.27Å; F729-L747 HydrophobicContact CE1-CD1 3.92Å; F729-L747 HydrophobicContact CE1-CD2 3.8Å; L732-L747 HydrophobicContact CD1-CD1 3.88Å; L732-L747 HydrophobicContact CD2-CD1 4.05Å; L732-L747 HydrophobicContact CG-CD1 4.3Å; S743-L747 WeakPolarHBondContact O-CG 3.39Å; S743-L747 PolarHBondContact O-N 2.73Å; A744-L747 PolarHBondContact O-N 2.99Å; Y745-L747 PolarHBondContact O-N 2.79Å; L747-C749 VanDerWaalsContact C-N 3.29Å; L747-C749 PolarHBondContact O-N 3.08Å; L747-F750 HydrophobicContact CD2-CD2 4.41Å; L747-F750 WeakPolarHBondContact O-CB 3.39Å; L747-F750 PolarHBondContact O-N 3.17Å; L747-F750 VanDerWaalsContact O-N 3.13Å; L747-M751 PolarHBondContact O-N 3.35Å; L747-I769 HydrophobicContact CB-CG2 3.84Å; L747-I769 HydrophobicContact CD1-CG2 4.25Å; L747-I769 HydrophobicContact CD2-CD1 4.34Å; L747-I769 HydrophobicContact CD2-CG1 4.28Å; L747-I769 HydrophobicContact CD2-CG2 4.13Å; L747-I769 HydrophobicContact CG-CG2 4.28Å; L747-M773 HydrophobicContact CB-SD 3.91Å; L747-M773 HydrophobicContact CD1-CG 4.07Å; L747-M773 HydrophobicContact CD1-SD 4.17Å |
| 748 | G | 93.2 | Very high | 84.1 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | A744 Y745 F750 M751 R752 | A744-G748 PolarHBondContact O-N 2.65Å; Y745-G748 WeakPolarHBondContact O-CA 3.42Å; Y745-G748 PolarHBondContact O-N 3.27Å; Y745-G748 VanDerWaalsContact O-N 3.13Å; G748-F750 VanDerWaalsContact C-N 3.33Å; G748-F750 PolarHBondContact O-N 3.46Å; G748-M751 WeakPolarHBondContact O-CB 3.31Å; G748-M751 PolarHBondContact O-N 2.67Å; G748-M751 VanDerWaalsContact O-N 3.1Å; G748-R752 PolarHBondContact O-N 3.22Å |
| 749 | C | 92 | Very high | 83 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 174 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | Y745 A746 L747 M751 R752 N753 | Y745-C749 PolarHBondContact O-N 3.03Å; Y745-C749 PolarHBondContact O-SG 3.47Å; Y745-C749 VanDerWaalsContact O-SG 3.42Å; A746-C749 WeakPolarHBondContact O-CB 3.33Å; A746-C749 PolarHBondContact O-N 3.27Å; L747-C749 VanDerWaalsContact C-N 3.29Å; L747-C749 PolarHBondContact O-N 3.08Å; C749-M751 VanDerWaalsContact C-N 3.27Å; C749-M751 PolarHBondContact O-N 3.36Å; C749-R752 PolarHBondContact O-N 3.35Å; C749-N753 VanDerWaalsContact O-CG 3.31Å; C749-N753 PolarHBondContact O-N 2.87Å; C749-N753 PolarHBondContact O-OD1 3.06Å |
| 750 | F | 89.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 172.5 | -89.6 | -85 | 0 | 0 | 0 | 112.4 | W709 K716 A719 V720 H725 A746 L747 G748 I769 | W709-F750 AromaticContact CD2-CE2 4Å; W709-F750 HydrophobicContact CD2-CE2 4Å; W709-F750 HydrophobicContact CD2-CZ 4.14Å; W709-F750 AromaticContact CE2-CD2 3.93Å; W709-F750 AromaticContact CE2-CE2 3.45Å; W709-F750 VanDerWaalsContact CE2-CE2 3.45Å; W709-F750 HydrophobicContact CE3-CE2 4.38Å; W709-F750 HydrophobicContact CE3-CZ 4.24Å; W709-F750 AromaticContact CH2-CE2 3.81Å; W709-F750 HydrophobicContact CH2-CE2 3.81Å; W709-F750 HydrophobicContact CH2-CZ 4.23Å; W709-F750 HydrophobicContact CZ2-CD2 4.09Å; W709-F750 AromaticContact CZ2-CE2 3.37Å; W709-F750 HydrophobicContact CZ2-CE2 3.37Å; W709-F750 HydrophobicContact CZ2-CZ 4.14Å; W709-F750 HydrophobicContact CZ3-CE2 4.29Å; W709-F750 HydrophobicContact CZ3-CZ 4.28Å; W709-F750 AromaticContact NE1-CD2 3.8Å; W709-F750 AromaticContact NE1-CE2 3.81Å; K716-F750 HydrophobicContact CB-CE1 4.41Å; K716-F750 HydrophobicContact CD-CD1 4.06Å; K716-F750 HydrophobicContact CG-CD1 3.61Å; K716-F750 HydrophobicContact CG-CE1 3.67Å; K716-F750 PolarHBondContact NZ-O 3.49Å; A719-F750 HydrophobicContact CB-CZ 3.92Å; V720-F750 HydrophobicContact CG2-CE1 3.86Å; H725-F750 HydrophobicContact CB-CE2 4.46Å; H725-F750 HydrophobicContact CB-CZ 4.32Å; A746-F750 WeakPolarHBondContact O-CD2 3.28Å; A746-F750 PolarHBondContact O-N 2.93Å; L747-F750 HydrophobicContact CD2-CD2 4.41Å; L747-F750 WeakPolarHBondContact O-CB 3.39Å; L747-F750 PolarHBondContact O-N 3.17Å; L747-F750 VanDerWaalsContact O-N 3.13Å; G748-F750 VanDerWaalsContact C-N 3.33Å; G748-F750 PolarHBondContact O-N 3.46Å; F750-I769 HydrophobicContact CB-CD1 4.01Å; F750-I769 HydrophobicContact CG-CD1 4.36Å |
| 751 | M | 89.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.8 | -33.2 | 179 | -61.7 | 178.2 | 139.1 | 0 | 0 | 112.7 | L747 G748 C749 L766 I769 A770 A792 W795 F796 | L747-M751 PolarHBondContact O-N 3.35Å; G748-M751 WeakPolarHBondContact O-CB 3.31Å; G748-M751 PolarHBondContact O-N 2.67Å; G748-M751 VanDerWaalsContact O-N 3.1Å; C749-M751 VanDerWaalsContact C-N 3.27Å; C749-M751 PolarHBondContact O-N 3.36Å; M751-L766 HydrophobicContact CB-CD2 4.32Å; M751-L766 HydrophobicContact CG-CD2 3.91Å; M751-I769 HydrophobicContact CE-CB 4.46Å; M751-I769 HydrophobicContact CE-CG2 4.02Å; M751-A770 HydrophobicContact CE-CB 3.68Å; M751-A792 HydrophobicContact SD-CB 4.1Å; M751-W795 HydrophobicContact CB-CB 3.82Å; M751-F796 HydrophobicContact CE-CB 3.65Å; M751-F796 HydrophobicContact CE-CD2 3.44Å; M751-F796 VanDerWaalsContact CE-CD2 3.44Å; M751-F796 HydrophobicContact CE-CE2 4.32Å; M751-F796 HydrophobicContact CE-CG 3.81Å; M751-F796 HydrophobicContact SD-CB 3.9Å |
| 752 | R | 88.5 | Confident | 81.4 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 33% | 0.328 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -35.1 | -179.6 | -179.2 | 177.3 | 177.1 | 179.6 | -0.7 | 113.4 | G748 C749 D754 W795 | G748-R752 PolarHBondContact O-N 3.22Å; C749-R752 PolarHBondContact O-N 3.35Å; R752-D754 PolarHBondContact O-N 2.82Å; R752-D754 VanDerWaalsContact O-N 3.17Å; R752-W795 HydrophobicContact CB-CD2 3.78Å; R752-W795 HydrophobicContact CB-CE3 4.12Å; R752-W795 HydrophobicContact CB-CG 3.97Å; R752-W795 HydrophobicContact CG-CD2 3.84Å; R752-W795 HydrophobicContact CG-CE3 3.85Å; R752-W795 HydrophobicContact CG-CH2 3.92Å; R752-W795 HydrophobicContact CG-CZ2 3.91Å; R752-W795 HydrophobicContact CG-CZ3 3.9Å |
| 753 | N | 78.5 | Confident | 81 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | trans | -67.9 | 114.9 | -174.7 | -60.9 | -17.5 | 0 | 0 | 0 | 111.1 | W709 G711 E713 K716 C749 | W709-N753 PolarHBondContact O-ND2 3.48Å; W709-N753 PolarHBondContact O-OD1 3.3Å; G711-N753 WeakPolarHBondContact CA-OD1 3.41Å; G711-N753 PolarHBondContact N-OD1 3.34Å; E713-N753 WeakPolarHBondContact OE1-CB 3.5Å; K716-N753 HydrophobicContact CD-CB 4.07Å; C749-N753 VanDerWaalsContact O-CG 3.31Å; C749-N753 PolarHBondContact O-N 2.87Å; C749-N753 PolarHBondContact O-OD1 3.06Å | ||
| 754 | D | 64.6 | Low | 80.6 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -144.5 | 99.9 | -179 | -169.3 | 11 | 0 | 0 | 0 | 113.2 | R752 K799 | R752-D754 PolarHBondContact O-N 2.82Å; R752-D754 VanDerWaalsContact O-N 3.17Å; D754-K799 IonicContact OD1-NZ 2.7Å; D754-K799 PolarHBondContact OD1-NZ 2.88Å; D754-K799 WeakPolarHBondContact OD2-CD 3.13Å; D754-K799 IonicContact OD2-NZ 3.22Å; D754-K799 PolarHBondContact OD2-NZ 3.45Å | ||
| 755 | H | 55.7 | Low | 80.3 | Confident | 182 Ų | 182 | 58.8 Ų | 58.8 | 84% | 0.843 | 32% | 0.32 | S | S | * | . | trans | -145.5 | 80 | 160.9 | -68.3 | -53.1 | 0 | 0 | 0 | 111.4 | ||||
| 756 | G | 51.3 | Low | 80.2 | Confident | 69 Ų | 69 | 57 Ų | 57 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 88 | 84.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 757 | S | 48.8 | Very low | 80 | Confident | 80 Ų | 80 | 59 Ų | 59 | 56% | 0.559 | 32% | 0.322 | S | S | * | . | trans | 178 | 146.9 | 131.6 | 62.7 | 0 | 0 | 0 | 0 | 108.8 | D759 | S757-D759 PolarHBondContact O-N 3.39Š| ||
| 758 | S | 57.3 | Low | 79.9 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 85% | 0.846 | 34% | 0.338 | S | S | * | . | trans | -75.3 | 54.4 | 171.9 | 68.2 | 0 | 0 | 0 | 0 | 110.6 | E760 | S758-E760 PolarHBondContact O-N 3.11Š| ||
| 759 | D | 68.7 | Low | 80 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | trans | -75 | 117.8 | -177.1 | -143.6 | -24.2 | 0 | 0 | 0 | 109.4 | S757 Q761 N762 T763 | S757-D759 PolarHBondContact O-N 3.39Å; D759-Q761 PolarHBondContact O-N 3.2Å; D759-Q761 VanDerWaalsContact O-N 3.16Å; D759-N762 HydrophobicContact CB-CB 4.35Å; D759-N762 PolarHBondContact O-N 3.22Å; D759-N762 VanDerWaalsContact O-N 3.07Å; D759-T763 PolarHBondContact O-N 3.31Å; D759-T763 VanDerWaalsContact O-N 3.16Å; D759-T763 PolarHBondContact O-OG1 3.23Å | ||
| 760 | E | 80.8 | Confident | 80.1 | Confident | 167 Ų | 167 | 61 Ų | 61 | 78% | 0.78 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -54.9 | -33.6 | 178.7 | -68.4 | -179 | 169.9 | 0 | 0 | 110.6 | S758 T763 H764 | S758-E760 PolarHBondContact O-N 3.11Å; E760-T763 PolarHBondContact O-N 2.97Å; E760-H764 PolarHBondContact O-N 3.06Å |
| 761 | Q | 85.4 | Confident | 80.3 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.2 | -172.8 | 175.6 | -0.2 | 0 | 0 | 112.8 | W717 D759 T763 H764 L765 | W717-Q761 HydrophobicContact CH2-CG 4.49Å; W717-Q761 HydrophobicContact CZ3-CG 4.28Å; D759-Q761 PolarHBondContact O-N 3.2Å; D759-Q761 VanDerWaalsContact O-N 3.16Å; Q761-T763 VanDerWaalsContact C-N 3.31Å; Q761-T763 PolarHBondContact O-N 3.12Å; Q761-H764 PolarHBondContact O-N 3.32Å; Q761-L765 PolarHBondContact O-N 2.98Å |
| 762 | N | 88.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.9 | -172.6 | 45.6 | 0 | 0 | 0 | 110.1 | K716 W717 D759 H764 L765 L766 | K716-N762 PolarHBondContact NZ-OD1 2.96Å; W717-N762 HydrophobicContact CH2-CB 3.78Å; W717-N762 HydrophobicContact CZ2-CB 3.88Å; D759-N762 HydrophobicContact CB-CB 4.35Å; D759-N762 PolarHBondContact O-N 3.22Å; D759-N762 VanDerWaalsContact O-N 3.07Å; N762-H764 PolarHBondContact O-N 2.87Å; N762-L765 PolarHBondContact O-N 3.39Å; N762-L766 VanDerWaalsContact O-CG 3.26Å; N762-L766 WeakPolarHBondContact O-CG 3.48Å; N762-L766 PolarHBondContact O-N 3.34Å |
| 763 | T | 88.4 | Confident | 80.9 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | D759 E760 Q761 L765 L766 H767 F800 | D759-T763 PolarHBondContact O-N 3.31Å; D759-T763 VanDerWaalsContact O-N 3.16Å; D759-T763 PolarHBondContact O-OG1 3.23Å; E760-T763 PolarHBondContact O-N 2.97Å; Q761-T763 VanDerWaalsContact C-N 3.31Å; Q761-T763 PolarHBondContact O-N 3.12Å; T763-L765 PolarHBondContact O-N 3.39Å; T763-L766 PolarHBondContact O-N 3.42Å; T763-H767 WeakPolarHBondContact O-CB 3.25Å; T763-H767 PolarHBondContact O-CD2 2.79Å; T763-H767 VanDerWaalsContact O-CG 3.3Å; T763-H767 PolarHBondContact O-N 3.32Å; T763-F800 HydrophobicContact CG2-CE1 4Å; T763-F800 HydrophobicContact CG2-CZ 4.05Å |
| 764 | H | 89.4 | Confident | 81.6 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 62% | 0.616 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 177.2 | -176.5 | -80.2 | 0 | 0 | 0 | 112.5 | E760 Q761 N762 H767 T768 | E760-H764 PolarHBondContact O-N 3.06Å; Q761-H764 PolarHBondContact O-N 3.32Å; N762-H764 PolarHBondContact O-N 2.87Å; H764-H767 PolarHBondContact O-N 2.9Å; H764-T768 WeakPolarHBondContact O-CB 3.3Å; H764-T768 PolarHBondContact O-N 2.99Å; H764-T768 PolarHBondContact O-OG1 3.24Å |
| 765 | L | 90.6 | Very high | 82.9 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -50.4 | 176.1 | 175.7 | 64.1 | 0 | 0 | 0 | 111.1 | V720 Q761 N762 T763 H767 T768 I769 | V720-L765 HydrophobicContact CG2-CD2 3.54Å; Q761-L765 PolarHBondContact O-N 2.98Å; N762-L765 PolarHBondContact O-N 3.39Å; T763-L765 PolarHBondContact O-N 3.39Å; L765-H767 VanDerWaalsContact C-N 3.32Å; L765-H767 PolarHBondContact O-N 3.49Å; L765-T768 WeakPolarHBondContact O-CB 3.34Å; L765-T768 PolarHBondContact O-N 3.17Å; L765-T768 VanDerWaalsContact O-N 3.15Å; L765-I769 HydrophobicContact CD1-CD1 4.01Å; L765-I769 HydrophobicContact CD1-CG1 4.28Å; L765-I769 HydrophobicContact CG-CD1 3.92Å; L765-I769 WeakPolarHBondContact O-CG1 3.47Å; L765-I769 PolarHBondContact O-N 3.05Å |
| 766 | L | 92.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | -179.7 | -64.1 | -179.2 | 0 | 0 | 0 | 112.1 | M751 N762 T763 I769 A770 F796 K799 F800 | M751-L766 HydrophobicContact CB-CD2 4.32Å; M751-L766 HydrophobicContact CG-CD2 3.91Å; N762-L766 VanDerWaalsContact O-CG 3.26Å; N762-L766 WeakPolarHBondContact O-CG 3.48Å; N762-L766 PolarHBondContact O-N 3.34Å; T763-L766 PolarHBondContact O-N 3.42Å; L766-I769 PolarHBondContact O-N 3.28Å; L766-A770 VanDerWaalsContact O-CB 3.29Å; L766-A770 WeakPolarHBondContact O-CB 3.43Å; L766-A770 PolarHBondContact O-N 2.91Å; L766-F796 HydrophobicContact CB-CD2 4.29Å; L766-F796 HydrophobicContact CB-CE2 4.04Å; L766-K799 HydrophobicContact CD1-CG 4.14Å; L766-F800 HydrophobicContact CB-CE2 4.26Å; L766-F800 HydrophobicContact CB-CZ 4.5Å; L766-F800 HydrophobicContact CD1-CE2 4.07Å; L766-F800 HydrophobicContact CD1-CZ 4.13Å |
| 767 | H | 93.1 | Very high | 86.6 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 173.5 | -73.3 | -171.7 | 0 | 0 | 0 | 111.6 | T763 H764 L765 A770 M771 F796 V945 Y946 | T763-H767 WeakPolarHBondContact O-CB 3.25Å; T763-H767 PolarHBondContact O-CD2 2.79Å; T763-H767 VanDerWaalsContact O-CG 3.3Å; T763-H767 PolarHBondContact O-N 3.32Å; H764-H767 PolarHBondContact O-N 2.9Å; L765-H767 VanDerWaalsContact C-N 3.32Å; L765-H767 PolarHBondContact O-N 3.49Å; H767-A770 PolarHBondContact O-N 3.1Å; H767-M771 WeakPolarHBondContact O-CB 3.32Å; H767-M771 VanDerWaalsContact O-CG 3.3Å; H767-M771 WeakPolarHBondContact O-CG 3.29Å; H767-M771 PolarHBondContact O-N 3.17Å; H767-F796 AromaticContact CD2-CE2 3.9Å; H767-F796 AromaticContact CD2-CZ 3.71Å; H767-V945 HydrophobicContact CB-CG1 4.26Å; H767-V945 HydrophobicContact CB-CG2 4.39Å; H767-Y946 AromaticContact CE1-CZ 3.88Å; H767-Y946 PolarHBondContact CE1-OH 3.44Å; H767-Y946 AromaticContact NE2-CE1 3.71Å; H767-Y946 AromaticContact NE2-CZ 3.53Å; H767-Y946 PolarHBondContact NE2-OH 3.03Å; H767-Y946 VanDerWaalsContact NE2-OH 3.09Å |
| 768 | T | 93.6 | Very high | 88.6 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | F729 H764 L765 M771 T772 | F729-T768 HydrophobicContact CE2-CG2 4.23Å; F729-T768 HydrophobicContact CZ-CG2 4.41Å; H764-T768 WeakPolarHBondContact O-CB 3.3Å; H764-T768 PolarHBondContact O-N 2.99Å; H764-T768 PolarHBondContact O-OG1 3.24Å; L765-T768 WeakPolarHBondContact O-CB 3.34Å; L765-T768 PolarHBondContact O-N 3.17Å; L765-T768 VanDerWaalsContact O-N 3.15Å; T768-M771 PolarHBondContact O-N 3.02Å; T768-T772 WeakPolarHBondContact O-CB 3.29Å; T768-T772 PolarHBondContact O-N 2.99Å; T768-T772 PolarHBondContact O-OG1 2.98Å |
| 769 | I | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -52.1 | 176 | -66.9 | 169.9 | 0 | 0 | 0 | 110 | F729 L747 F750 M751 L765 L766 M771 T772 M773 | F729-I769 HydrophobicContact CE1-CB 4.47Å; F729-I769 HydrophobicContact CE1-CG1 3.95Å; F729-I769 HydrophobicContact CZ-CG1 3.79Å; L747-I769 HydrophobicContact CB-CG2 3.84Å; L747-I769 HydrophobicContact CD1-CG2 4.25Å; L747-I769 HydrophobicContact CD2-CD1 4.34Å; L747-I769 HydrophobicContact CD2-CG1 4.28Å; L747-I769 HydrophobicContact CD2-CG2 4.13Å; L747-I769 HydrophobicContact CG-CG2 4.28Å; F750-I769 HydrophobicContact CB-CD1 4.01Å; F750-I769 HydrophobicContact CG-CD1 4.36Å; M751-I769 HydrophobicContact CE-CB 4.46Å; M751-I769 HydrophobicContact CE-CG2 4.02Å; L765-I769 HydrophobicContact CD1-CD1 4.01Å; L765-I769 HydrophobicContact CD1-CG1 4.28Å; L765-I769 HydrophobicContact CG-CD1 3.92Å; L765-I769 WeakPolarHBondContact O-CG1 3.47Å; L765-I769 PolarHBondContact O-N 3.05Å; L766-I769 PolarHBondContact O-N 3.28Å; I769-M771 PolarHBondContact O-N 3.42Å; I769-T772 PolarHBondContact O-N 3.18Å; I769-M773 HydrophobicContact CG2-CG 4.4Å; I769-M773 HydrophobicContact CG2-SD 3.89Å; I769-M773 WeakPolarHBondContact O-CG 3.12Å; I769-M773 PolarHBondContact O-N 3.47Å |
| 770 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | M751 L766 H767 T772 M773 V774 F796 V949 | M751-A770 HydrophobicContact CE-CB 3.68Å; L766-A770 VanDerWaalsContact O-CB 3.29Å; L766-A770 WeakPolarHBondContact O-CB 3.43Å; L766-A770 PolarHBondContact O-N 2.91Å; H767-A770 PolarHBondContact O-N 3.1Å; A770-T772 VanDerWaalsContact C-N 3.35Å; A770-T772 PolarHBondContact O-N 3.08Å; A770-M773 PolarHBondContact O-N 3.34Å; A770-V774 WeakPolarHBondContact O-CG2 3.37Å; A770-V774 PolarHBondContact O-N 2.76Å; A770-F796 HydrophobicContact CB-CD2 4.05Å; A770-F796 HydrophobicContact CB-CE1 4.36Å; A770-F796 HydrophobicContact CB-CE2 3.83Å; A770-F796 HydrophobicContact CB-CG 4.35Å; A770-F796 HydrophobicContact CB-CZ 4.01Å; A770-V949 HydrophobicContact CB-CG2 3.92Å |
| 771 | M | 94.2 | Very high | 91.8 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66 | -37.2 | -179.7 | -70.4 | -58.6 | -58.9 | 0 | 0 | 112.6 | H767 T768 I769 V774 S775 V945 T948 | H767-M771 WeakPolarHBondContact O-CB 3.32Å; H767-M771 VanDerWaalsContact O-CG 3.3Å; H767-M771 WeakPolarHBondContact O-CG 3.29Å; H767-M771 PolarHBondContact O-N 3.17Å; T768-M771 PolarHBondContact O-N 3.02Å; I769-M771 PolarHBondContact O-N 3.42Å; M771-V774 PolarHBondContact O-N 3.34Å; M771-S775 PolarHBondContact O-N 3.35Å; M771-S775 VanDerWaalsContact O-N 3.1Å; M771-S775 PolarHBondContact O-OG 3.48Å; M771-V945 HydrophobicContact CG-CB 4.47Å; M771-V945 HydrophobicContact CG-CG1 3.98Å; M771-V945 HydrophobicContact CG-CG2 3.98Å; M771-V945 HydrophobicContact SD-CB 4.19Å; M771-V945 HydrophobicContact SD-CG1 3.94Å; M771-V945 HydrophobicContact SD-CG2 4.09Å; M771-T948 HydrophobicContact CE-CG2 3.95Å; M771-T948 HydrophobicContact SD-CG2 4.2Å |
| 772 | T | 95 | Very high | 92.3 | Very high | 35 Ų | 35 | 27.8 Ų | 27.8 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | F729 L732 T768 I769 A770 S775 T776 | F729-T772 HydrophobicContact CB-CG2 4.36Å; F729-T772 HydrophobicContact CD1-CG2 4.07Å; F729-T772 HydrophobicContact CE1-CG2 4.49Å; F729-T772 HydrophobicContact CG-CG2 4.11Å; L732-T772 HydrophobicContact CD1-CG2 3.99Å; T768-T772 WeakPolarHBondContact O-CB 3.29Å; T768-T772 PolarHBondContact O-N 2.99Å; T768-T772 PolarHBondContact O-OG1 2.98Å; I769-T772 PolarHBondContact O-N 3.18Å; A770-T772 VanDerWaalsContact C-N 3.35Å; A770-T772 PolarHBondContact O-N 3.08Å; T772-S775 PolarHBondContact O-N 3.29Å; T772-S775 PolarHBondContact O-OG 2.85Å; T772-T776 WeakPolarHBondContact O-CB 3.36Å; T772-T776 WeakPolarHBondContact O-CG2 3.35Å; T772-T776 PolarHBondContact O-N 3.27Å; T772-T776 VanDerWaalsContact O-N 3.16Å; T772-T776 PolarHBondContact O-OG1 3.21Å |
| 773 | M | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 175.5 | -68.2 | -178.4 | 72.6 | 0 | 0 | 112 | L732 A744 L747 I769 A770 T776 L777 A789 A792 F793 | L732-M773 HydrophobicContact CD1-CG 4.48Å; A744-M773 HydrophobicContact CB-CE 3.96Å; L747-M773 HydrophobicContact CB-SD 3.91Å; L747-M773 HydrophobicContact CD1-CG 4.07Å; L747-M773 HydrophobicContact CD1-SD 4.17Å; I769-M773 HydrophobicContact CG2-CG 4.4Å; I769-M773 HydrophobicContact CG2-SD 3.89Å; I769-M773 WeakPolarHBondContact O-CG 3.12Å; I769-M773 PolarHBondContact O-N 3.47Å; A770-M773 PolarHBondContact O-N 3.34Å; M773-T776 PolarHBondContact O-N 3.2Å; M773-L777 HydrophobicContact CB-CD1 4.27Å; M773-L777 HydrophobicContact CE-CD1 3.74Å; M773-L777 HydrophobicContact CG-CD1 4.27Å; M773-L777 WeakPolarHBondContact O-CB 3.25Å; M773-L777 PolarHBondContact O-N 3.4Å; M773-A789 HydrophobicContact CE-CB 4.35Å; M773-A792 HydrophobicContact CE-CB 3.37Å; M773-A792 HydrophobicContact SD-CB 3.93Å; M773-F793 HydrophobicContact CB-CE1 4.07Å; M773-F793 HydrophobicContact CB-CZ 4.06Å |
| 774 | V | 93.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A770 M771 T776 C778 F793 T948 V949 A952 | A770-V774 WeakPolarHBondContact O-CG2 3.37Å; A770-V774 PolarHBondContact O-N 2.76Å; M771-V774 PolarHBondContact O-N 3.34Å; V774-T776 VanDerWaalsContact C-N 3.34Å; V774-T776 PolarHBondContact O-N 2.93Å; V774-C778 PolarHBondContact O-SG 2.71Å; V774-C778 VanDerWaalsContact O-SG 3.39Å; V774-F793 HydrophobicContact CB-CZ 4.41Å; V774-F793 HydrophobicContact CG2-CE1 3.69Å; V774-F793 HydrophobicContact CG2-CE2 4.47Å; V774-F793 HydrophobicContact CG2-CZ 3.5Å; V774-T948 HydrophobicContact CG1-CG2 4.04Å; V774-V949 HydrophobicContact CG2-CG2 4.18Å; V774-A952 HydrophobicContact CG1-CB 4.2Å; V774-A952 HydrophobicContact CG2-CB 3.85Å |
| 775 | S | 91 | Very high | 93 | Very high | 85 Ų | 85 | 21 Ų | 21 | 59% | 0.594 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -71.2 | -26.6 | -176.9 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | M771 T772 | M771-S775 PolarHBondContact O-N 3.35Å; M771-S775 VanDerWaalsContact O-N 3.1Å; M771-S775 PolarHBondContact O-OG 3.48Å; T772-S775 PolarHBondContact O-N 3.29Å; T772-S775 PolarHBondContact O-OG 2.85Å |
| 776 | T | 92 | Very high | 93.2 | Very high | 44 Ų | 44 | 20.8 Ų | 20.8 | 27% | 0.27 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -102.9 | -34.9 | -173.4 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | T772 M773 V774 | T772-T776 WeakPolarHBondContact O-CB 3.36Å; T772-T776 WeakPolarHBondContact O-CG2 3.35Å; T772-T776 PolarHBondContact O-N 3.27Å; T772-T776 VanDerWaalsContact O-N 3.16Å; T772-T776 PolarHBondContact O-OG1 3.21Å; M773-T776 PolarHBondContact O-N 3.2Å; V774-T776 VanDerWaalsContact C-N 3.34Å; V774-T776 PolarHBondContact O-N 2.93Å |
| 777 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -107.5 | -21 | -166.6 | -54.1 | -174.7 | 0 | 0 | 0 | 115.1 | L732 A744 M773 G779 D780 V785 A789 | L732-L777 HydrophobicContact CB-CD2 4.36Å; L732-L777 HydrophobicContact CD2-CD1 4.1Å; L732-L777 HydrophobicContact CD2-CD2 4.11Å; L732-L777 HydrophobicContact CD2-CG 4.43Å; A744-L777 HydrophobicContact CB-CD1 3.68Å; M773-L777 HydrophobicContact CB-CD1 4.27Å; M773-L777 HydrophobicContact CE-CD1 3.74Å; M773-L777 HydrophobicContact CG-CD1 4.27Å; M773-L777 WeakPolarHBondContact O-CB 3.25Å; M773-L777 PolarHBondContact O-N 3.4Å; L777-G779 PolarHBondContact O-N 2.74Å; L777-D780 WeakPolarHBondContact O-CB 3.35Å; L777-D780 PolarHBondContact O-N 2.71Å; L777-D780 VanDerWaalsContact O-N 3.14Å; L777-V785 HydrophobicContact CB-CG1 4.34Å; L777-V785 HydrophobicContact CD1-CG1 4.41Å; L777-V785 HydrophobicContact CD2-CG1 3.73Å; L777-V785 HydrophobicContact CG-CG1 4.38Å; L777-A789 HydrophobicContact CB-CB 3.97Å; L777-A789 HydrophobicContact CD1-CB 3.83Å |
| 778 | C | 89.2 | Confident | 93.4 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.1 | -175.3 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | V774 F956 | V774-C778 PolarHBondContact O-SG 2.71Å; V774-C778 VanDerWaalsContact O-SG 3.39Å; C778-F956 HydrophobicContact CB-CZ 4.48Å |
| 779 | G | 87.2 | Confident | 93.5 | Very high | 37 Ų | 37 | 19.9 Ų | 19.9 | 38% | 0.381 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 14.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L777 | L777-G779 PolarHBondContact O-N 2.74Š|
| 780 | D | 94.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | trans | -65.4 | 141.2 | 179.2 | -159.4 | -72.9 | 0 | 0 | 0 | 110.3 | R740 L777 S782 V785 R786 R1354 | R740-D780 IonicContact CZ-OD1 3.75Å; R740-D780 IonicContact CZ-OD2 3.8Å; R740-D780 IonicContact NE-OD1 3.77Å; R740-D780 IonicContact NE-OD2 3.9Å; R740-D780 PolarHBondContact NE-OD2 2.9Å; R740-D780 VanDerWaalsContact NE-OD2 3.11Å; R740-D780 IonicContact NH2-OD1 3.05Å; R740-D780 PolarHBondContact NH2-OD1 2.91Å; R740-D780 IonicContact NH2-OD2 2.61Å; R740-D780 PolarHBondContact NH2-OD2 3.44Å; L777-D780 WeakPolarHBondContact O-CB 3.35Å; L777-D780 PolarHBondContact O-N 2.71Å; L777-D780 VanDerWaalsContact O-N 3.14Å; D780-S782 VanDerWaalsContact C-N 3.29Å; D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 2.96Å; D780-V785 HydrophobicContact CB-CB 4.23Å; D780-V785 HydrophobicContact CB-CG1 3.97Å; D780-R786 HydrophobicContact CB-CG 4.42Å; D780-R786 WeakPolarHBondContact O-CD 3.44Å; D780-R786 PolarHBondContact O-NH1 3.5Å; D780-R1354 IonicContact OD2-CZ 2.71Å; D780-R1354 IonicContact OD2-NE 3.39Å; D780-R1354 PolarHBondContact OD2-NE 2.99Å; D780-R1354 IonicContact OD2-NH2 2.91Å; D780-R1354 PolarHBondContact OD2-NH2 2.61Å | ||
| 781 | G | 93.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -71.5 | -27.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A783 R786 E1353 | G781-A783 PolarHBondContact O-N 3.24Å; G781-R786 PolarHBondContact O-NH1 2.8Å; G781-R786 VanDerWaalsContact O-NH1 3.13Å; G781-E1353 WeakPolarHBondContact CA-O 3.42Å; G781-E1353 PolarHBondContact N-O 2.94Å; G781-E1353 VanDerWaalsContact N-O 3.09Å |
| 782 | S | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | trans | -82 | 118.2 | -176.6 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | D780 L784 V785 R786 E1353 | D780-S782 VanDerWaalsContact C-N 3.29Å; D780-S782 WeakPolarHBondContact OD1-CB 3.45Å; D780-S782 PolarHBondContact OD1-N 2.96Å; S782-L784 PolarHBondContact O-N 3.5Å; S782-V785 PolarHBondContact O-N 2.93Å; S782-V785 VanDerWaalsContact O-N 3.11Å; S782-R786 PolarHBondContact O-N 3.27Å; S782-R786 VanDerWaalsContact O-N 3.17Å; S782-E1353 VanDerWaalsContact CA-OE2 3.32Å; S782-E1353 WeakPolarHBondContact CA-OE2 3.47Å; S782-E1353 WeakPolarHBondContact CB-OE2 3.34Å; S782-E1353 PolarHBondContact OG-OE1 3.08Å; S782-E1353 PolarHBondContact OG-OE2 3.29Å | ||
| 783 | A | 92.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 16 Ų | 16 | 7% | 0.074 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.4 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G781 V785 R786 R787 D961 | G781-A783 PolarHBondContact O-N 3.24Å; A783-V785 VanDerWaalsContact C-N 3.34Å; A783-V785 PolarHBondContact O-N 3.26Å; A783-R786 PolarHBondContact O-N 3.41Å; A783-R787 VanDerWaalsContact O-CG 3.28Å; A783-R787 WeakPolarHBondContact O-CG 3.43Å; A783-R787 PolarHBondContact O-N 3.19Å; A783-D961 HydrophobicContact CB-CB 3.91Å; A783-D961 WeakPolarHBondContact CB-OD2 3.42Å |
| 784 | L | 92.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 16 Ų | 16 | 20% | 0.204 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 175.8 | -175 | 63.9 | 0 | 0 | 0 | 112.1 | I738 A741 S782 R787 E788 F1136 | I738-L784 HydrophobicContact CD1-CD2 3.55Å; A741-L784 HydrophobicContact CB-CD2 4.18Å; A741-L784 HydrophobicContact CB-CG 3.91Å; S782-L784 PolarHBondContact O-N 3.5Å; L784-R787 PolarHBondContact O-N 2.93Å; L784-E788 PolarHBondContact O-N 3.23Å; L784-F1136 HydrophobicContact CD1-CD2 3.84Å; L784-F1136 HydrophobicContact CD1-CE2 4.08Å; L784-F1136 HydrophobicContact CD2-CE2 4.11Å; L784-F1136 HydrophobicContact CG-CD2 4.39Å; L784-F1136 HydrophobicContact CG-CE2 4.16Å |
| 785 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | S737 R740 A741 L777 D780 S782 A783 E788 A789 | S737-V785 WeakPolarHBondContact O-CG2 3.42Å; R740-V785 HydrophobicContact CB-CG1 4.2Å; R740-V785 HydrophobicContact CB-CG2 3.73Å; A741-V785 HydrophobicContact CB-CG2 4.15Å; L777-V785 HydrophobicContact CB-CG1 4.34Å; L777-V785 HydrophobicContact CD1-CG1 4.41Å; L777-V785 HydrophobicContact CD2-CG1 3.73Å; L777-V785 HydrophobicContact CG-CG1 4.38Å; D780-V785 HydrophobicContact CB-CB 4.23Å; D780-V785 HydrophobicContact CB-CG1 3.97Å; S782-V785 PolarHBondContact O-N 2.93Å; S782-V785 VanDerWaalsContact O-N 3.11Å; A783-V785 VanDerWaalsContact C-N 3.34Å; A783-V785 PolarHBondContact O-N 3.26Å; V785-E788 PolarHBondContact O-N 2.95Å; V785-A789 WeakPolarHBondContact O-CB 3.38Å; V785-A789 PolarHBondContact O-N 3.47Å |
| 786 | R | 95.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 13.6 Ų | 13.6 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.2 | -61.8 | -163.5 | -53.7 | -99.7 | 1.2 | 112.4 | D780 G781 S782 A783 A789 L790 F956 D959 V964 A1309 W1310 | D780-R786 HydrophobicContact CB-CG 4.42Å; D780-R786 WeakPolarHBondContact O-CD 3.44Å; D780-R786 PolarHBondContact O-NH1 3.5Å; G781-R786 PolarHBondContact O-NH1 2.8Å; G781-R786 VanDerWaalsContact O-NH1 3.13Å; S782-R786 PolarHBondContact O-N 3.27Å; S782-R786 VanDerWaalsContact O-N 3.17Å; A783-R786 PolarHBondContact O-N 3.41Å; R786-A789 PolarHBondContact O-N 3.05Å; R786-L790 WeakPolarHBondContact O-CB 3.33Å; R786-L790 PolarHBondContact O-N 3.02Å; R786-F956 HydrophobicContact CB-CD1 4.47Å; R786-F956 HydrophobicContact CB-CE1 3.85Å; R786-F956 HydrophobicContact CG-CE1 4.07Å; R786-D959 IonicContact CZ-OD1 3.11Å; R786-D959 IonicContact CZ-OD2 3.28Å; R786-D959 IonicContact NE-OD1 2.71Å; R786-D959 IonicContact NE-OD2 2.74Å; R786-D959 PolarHBondContact NE-OD2 3.19Å; R786-D959 IonicContact NH2-OD1 3.94Å; R786-D959 PolarHBondContact NH2-OD1 3.26Å; R786-D959 IonicContact NH2-OD2 3.11Å; R786-D959 PolarHBondContact NH2-OD2 3.44Å; R786-V964 HydrophobicContact CB-CG1 4.49Å; R786-V964 HydrophobicContact CB-CG2 4.36Å; R786-A1309 PolarHBondContact NH1-O 3.47Å; R786-A1309 PolarHBondContact NH2-O 3.37Å; R786-W1310 VanDerWaalsContact NH1-CB 3.3Å |
| 787 | R | 94.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 11.5 Ų | 11.5 | 28% | 0.279 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -60 | -49.4 | 173.3 | -69.3 | 173.5 | -156 | 169.6 | 0.6 | 111.5 | A783 L784 L790 V791 D961 T963 V964 M967 T1134 | A783-R787 VanDerWaalsContact O-CG 3.28Å; A783-R787 WeakPolarHBondContact O-CG 3.43Å; A783-R787 PolarHBondContact O-N 3.19Å; L784-R787 PolarHBondContact O-N 2.93Å; R787-L790 PolarHBondContact O-N 3.05Å; R787-V791 PolarHBondContact O-N 3.25Å; R787-D961 IonicContact CZ-OD2 3.69Å; R787-D961 IonicContact NE-OD1 3.14Å; R787-D961 IonicContact NH2-OD1 3.36Å; R787-D961 PolarHBondContact NH2-OD1 2.9Å; R787-D961 IonicContact NH2-OD2 3.59Å; R787-D961 PolarHBondContact NH2-OD2 3.46Å; R787-T963 PolarHBondContact NE-OG1 2.86Å; R787-T963 PolarHBondContact NH2-OG1 3.38Å; R787-V964 HydrophobicContact CG-CG2 3.48Å; R787-V964 VanDerWaalsContact CG-CG2 3.48Å; R787-M967 HydrophobicContact CB-SD 4.42Å; R787-M967 HydrophobicContact CG-SD 4.23Å; R787-T1134 HydrophobicContact CB-CG2 4.46Å |
| 788 | E | 95.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.019 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 179.4 | -67.9 | -50.2 | 119.9 | 0 | 0 | 112.5 | A741 A744 Y745 L784 V785 L790 V791 A792 T1134 F1136 | A741-E788 HydrophobicContact CB-CG 4.12Å; A744-E788 HydrophobicContact CB-CB 3.92Å; Y745-E788 WeakPolarHBondContact CD2-OE2 3.33Å; L784-E788 PolarHBondContact O-N 3.23Å; V785-E788 PolarHBondContact O-N 2.95Å; E788-L790 VanDerWaalsContact C-N 3.31Å; E788-L790 PolarHBondContact O-N 3.19Å; E788-V791 PolarHBondContact O-N 2.93Å; E788-A792 PolarHBondContact O-N 3.16Å; E788-T1134 WeakPolarHBondContact OE1-CB 3.44Å; E788-T1134 VanDerWaalsContact OE1-CG2 3.3Å; E788-T1134 WeakPolarHBondContact OE1-CG2 3.42Å; E788-T1134 PolarHBondContact OE1-OG1 2.96Å; E788-T1134 PolarHBondContact OE2-OG1 3.49Å; E788-F1136 HydrophobicContact CG-CB 4.37Å; E788-F1136 HydrophobicContact CG-CD1 4.35Å; E788-F1136 HydrophobicContact CG-CD2 4.12Å; E788-F1136 HydrophobicContact CG-CG 4.01Å; E788-F1136 WeakPolarHBondContact OE1-CB 3.33Å |
| 789 | A | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M773 L777 V785 R786 A792 F793 | M773-A789 HydrophobicContact CE-CB 4.35Å; L777-A789 HydrophobicContact CB-CB 3.97Å; L777-A789 HydrophobicContact CD1-CB 3.83Å; V785-A789 WeakPolarHBondContact O-CB 3.38Å; V785-A789 PolarHBondContact O-N 3.47Å; R786-A789 PolarHBondContact O-N 3.05Å; A789-A792 WeakPolarHBondContact O-CB 3.23Å; A789-A792 PolarHBondContact O-N 3.45Å; A789-F793 HydrophobicContact CB-CE2 4.36Å; A789-F793 VanDerWaalsContact O-CD2 3.23Å; A789-F793 WeakPolarHBondContact O-CD2 3.33Å; A789-F793 WeakPolarHBondContact O-CG 3.39Å; A789-F793 PolarHBondContact O-N 3.42Å |
| 790 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 177.8 | -179.3 | 61.5 | 0 | 0 | 0 | 112.6 | R786 R787 E788 F793 H794 V953 F956 M967 A968 L971 L1132 | R786-L790 WeakPolarHBondContact O-CB 3.33Å; R786-L790 PolarHBondContact O-N 3.02Å; R787-L790 PolarHBondContact O-N 3.05Å; E788-L790 VanDerWaalsContact C-N 3.31Å; E788-L790 PolarHBondContact O-N 3.19Å; L790-F793 PolarHBondContact O-N 2.6Å; L790-H794 PolarHBondContact O-N 3.08Å; L790-V953 HydrophobicContact CD1-CG1 4.28Å; L790-V953 HydrophobicContact CD1-CG2 4.31Å; L790-F956 HydrophobicContact CB-CD2 4.34Å; L790-F956 HydrophobicContact CB-CE2 4.42Å; L790-F956 HydrophobicContact CD1-CD2 3.9Å; L790-M967 HydrophobicContact CD2-CB 3.44Å; L790-M967 VanDerWaalsContact CD2-CB 3.44Å; L790-M967 HydrophobicContact CD2-CE 4.49Å; L790-A968 HydrophobicContact CD1-CB 4.42Å; L790-A968 HydrophobicContact CD2-CB 3.95Å; L790-L971 HydrophobicContact CD1-CD2 3.97Å; L790-L1132 HydrophobicContact CG-CD1 4.19Å |
| 791 | V | 94.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 7% | 0.067 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 172.2 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | R787 E788 H794 W795 M967 T1134 | R787-V791 PolarHBondContact O-N 3.25Å; E788-V791 PolarHBondContact O-N 2.93Å; V791-H794 VanDerWaalsContact O-CB 3.3Å; V791-H794 WeakPolarHBondContact O-CB 3.47Å; V791-H794 PolarHBondContact O-N 2.88Å; V791-W795 PolarHBondContact O-N 3.43Å; V791-M967 HydrophobicContact CG2-CE 3.56Å; V791-T1134 HydrophobicContact CG2-CG2 3.55Å |
| 792 | A | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M751 M773 E788 A789 H794 W795 F796 | M751-A792 HydrophobicContact SD-CB 4.1Å; M773-A792 HydrophobicContact CE-CB 3.37Å; M773-A792 HydrophobicContact SD-CB 3.93Å; E788-A792 PolarHBondContact O-N 3.16Å; A789-A792 WeakPolarHBondContact O-CB 3.23Å; A789-A792 PolarHBondContact O-N 3.45Å; A792-H794 VanDerWaalsContact C-N 3.26Å; A792-H794 PolarHBondContact O-N 2.88Å; A792-W795 PolarHBondContact O-N 3.38Å; A792-W795 VanDerWaalsContact O-N 3.14Å; A792-F796 PolarHBondContact O-N 3.44Å |
| 793 | F | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -33 | 174.5 | -63.9 | -40.4 | 0 | 0 | 0 | 112.8 | M773 V774 A789 L790 F796 I797 V949 A952 V953 F956 | M773-F793 HydrophobicContact CB-CE1 4.07Å; M773-F793 HydrophobicContact CB-CZ 4.06Å; V774-F793 HydrophobicContact CB-CZ 4.41Å; V774-F793 HydrophobicContact CG2-CE1 3.69Å; V774-F793 HydrophobicContact CG2-CE2 4.47Å; V774-F793 HydrophobicContact CG2-CZ 3.5Å; A789-F793 HydrophobicContact CB-CE2 4.36Å; A789-F793 VanDerWaalsContact O-CD2 3.23Å; A789-F793 WeakPolarHBondContact O-CD2 3.33Å; A789-F793 WeakPolarHBondContact O-CG 3.39Å; A789-F793 PolarHBondContact O-N 3.42Å; L790-F793 PolarHBondContact O-N 2.6Å; F793-F796 PolarHBondContact O-N 2.92Å; F793-I797 WeakPolarHBondContact O-CB 3.49Å; F793-I797 WeakPolarHBondContact O-CG1 3.4Å; F793-I797 PolarHBondContact O-N 2.85Å; F793-V949 HydrophobicContact CB-CG1 4.33Å; F793-V949 HydrophobicContact CD1-CG1 3.83Å; F793-V949 HydrophobicContact CE1-CG1 4.45Å; F793-V949 HydrophobicContact CG-CG1 4.19Å; F793-A952 HydrophobicContact CE2-CB 4.22Å; F793-A952 HydrophobicContact CZ-CB 4.5Å; F793-V953 HydrophobicContact CB-CG2 3.99Å; F793-V953 HydrophobicContact CD2-CG2 4.38Å; F793-V953 HydrophobicContact CG-CG2 4.44Å; F793-F956 AromaticContact CD2-CE2 3.99Å; F793-F956 HydrophobicContact CD2-CE2 3.99Å; F793-F956 AromaticContact CE2-CE2 3.89Å; F793-F956 HydrophobicContact CE2-CE2 3.89Å; F793-F956 HydrophobicContact CE2-CZ 4.47Å |
| 794 | H | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 171.5 | 168.2 | 55.6 | 0 | 0 | 0 | 112 | L790 V791 A792 F796 I797 L798 L971 I1131 L1132 | L790-H794 PolarHBondContact O-N 3.08Å; V791-H794 VanDerWaalsContact O-CB 3.3Å; V791-H794 WeakPolarHBondContact O-CB 3.47Å; V791-H794 PolarHBondContact O-N 2.88Å; A792-H794 VanDerWaalsContact C-N 3.26Å; A792-H794 PolarHBondContact O-N 2.88Å; H794-F796 VanDerWaalsContact C-N 3.33Å; H794-F796 PolarHBondContact O-N 3.35Å; H794-I797 PolarHBondContact O-N 2.96Å; H794-L798 WeakPolarHBondContact CE1-CD1 3.32Å; H794-L798 WeakPolarHBondContact O-CG 3.29Å; H794-L798 PolarHBondContact O-N 3.04Å; H794-L971 HydrophobicContact CB-CD1 4.19Å; H794-L971 HydrophobicContact CB-CD2 4.11Å; H794-L971 WeakPolarHBondContact ND1-CD1 3.44Å; H794-I1131 VanDerWaalsContact CE1-CB 3.45Å; H794-I1131 WeakPolarHBondContact CE1-CB 3.34Å; H794-L1132 HydrophobicContact CB-CB 4.28Å; H794-L1132 HydrophobicContact CB-CD1 4.06Å; H794-L1132 HydrophobicContact CB-CG 4.49Å |
| 795 | W | 92.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 23.5 Ų | 23.5 | 16% | 0.163 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | -66.8 | 117.4 | 0 | 0 | 0 | 112.3 | M751 R752 V791 A792 I797 L798 K799 P1130 | M751-W795 HydrophobicContact CB-CB 3.82Å; R752-W795 HydrophobicContact CB-CD2 3.78Å; R752-W795 HydrophobicContact CB-CE3 4.12Å; R752-W795 HydrophobicContact CB-CG 3.97Å; R752-W795 HydrophobicContact CG-CD2 3.84Å; R752-W795 HydrophobicContact CG-CE3 3.85Å; R752-W795 HydrophobicContact CG-CH2 3.92Å; R752-W795 HydrophobicContact CG-CZ2 3.91Å; R752-W795 HydrophobicContact CG-CZ3 3.9Å; V791-W795 PolarHBondContact O-N 3.43Å; A792-W795 PolarHBondContact O-N 3.38Å; A792-W795 VanDerWaalsContact O-N 3.14Å; W795-I797 PolarHBondContact O-N 3Å; W795-L798 HydrophobicContact CE3-CD1 4.14Å; W795-L798 HydrophobicContact CZ3-CD1 4.16Å; W795-L798 PolarHBondContact O-N 3.37Å; W795-K799 PolarHBondContact O-N 3.26Å; W795-P1130 HydrophobicContact CH2-CB 3.84Å; W795-P1130 HydrophobicContact CZ2-CB 4.12Å |
| 796 | F | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 175 | -172.1 | -100.9 | 0 | 0 | 0 | 112.6 | M751 L766 H767 A770 A792 F793 H794 K799 F800 F804 V945 Y946 V949 | M751-F796 HydrophobicContact CE-CB 3.65Å; M751-F796 HydrophobicContact CE-CD2 3.44Å; M751-F796 VanDerWaalsContact CE-CD2 3.44Å; M751-F796 HydrophobicContact CE-CE2 4.32Å; M751-F796 HydrophobicContact CE-CG 3.81Å; M751-F796 HydrophobicContact SD-CB 3.9Å; L766-F796 HydrophobicContact CB-CD2 4.29Å; L766-F796 HydrophobicContact CB-CE2 4.04Å; H767-F796 AromaticContact CD2-CE2 3.9Å; H767-F796 AromaticContact CD2-CZ 3.71Å; A770-F796 HydrophobicContact CB-CD2 4.05Å; A770-F796 HydrophobicContact CB-CE1 4.36Å; A770-F796 HydrophobicContact CB-CE2 3.83Å; A770-F796 HydrophobicContact CB-CG 4.35Å; A770-F796 HydrophobicContact CB-CZ 4.01Å; A792-F796 PolarHBondContact O-N 3.44Å; F793-F796 PolarHBondContact O-N 2.92Å; H794-F796 VanDerWaalsContact C-N 3.33Å; H794-F796 PolarHBondContact O-N 3.35Å; F796-K799 PolarHBondContact O-N 2.85Å; F796-F800 HydrophobicContact CD1-CD2 4.25Å; F796-F800 AromaticContact CD2-CD2 3.81Å; F796-F800 HydrophobicContact CD2-CD2 3.81Å; F796-F800 AromaticContact CD2-CE2 3.68Å; F796-F800 HydrophobicContact CD2-CE2 3.68Å; F796-F800 HydrophobicContact CE1-CD2 4.01Å; F796-F800 AromaticContact CE2-CD2 3.6Å; F796-F800 HydrophobicContact CE2-CD2 3.6Å; F796-F800 AromaticContact CE2-CE2 3.31Å; F796-F800 HydrophobicContact CE2-CE2 3.31Å; F796-F800 HydrophobicContact CE2-CZ 4.41Å; F796-F800 HydrophobicContact CG-CD2 4.17Å; F796-F800 HydrophobicContact CG-CE2 4.48Å; F796-F800 AromaticContact CZ-CD2 3.69Å; F796-F800 HydrophobicContact CZ-CD2 3.69Å; F796-F800 AromaticContact CZ-CE2 3.79Å; F796-F800 HydrophobicContact CZ-CE2 3.79Å; F796-F800 WeakPolarHBondContact O-CD2 3.39Å; F796-F800 PolarHBondContact O-N 3.47Å; F796-F800 VanDerWaalsContact O-N 3.09Å; F796-F804 AromaticContact CD1-CE2 3.67Å; F796-F804 HydrophobicContact CD1-CE2 3.67Å; F796-F804 AromaticContact CD1-CZ 3.73Å; F796-F804 HydrophobicContact CD1-CZ 3.73Å; F796-F804 AromaticContact CE1-CE2 3.76Å; F796-F804 HydrophobicContact CE1-CE2 3.76Å; F796-F804 AromaticContact CE1-CZ 3.76Å; F796-F804 HydrophobicContact CE1-CZ 3.76Å; F796-V945 HydrophobicContact CZ-CG1 4.06Å; F796-Y946 HydrophobicContact CE1-CD1 4.02Å; F796-Y946 HydrophobicContact CE1-CE1 4.31Å; F796-Y946 HydrophobicContact CZ-CD1 4.32Å; F796-Y946 HydrophobicContact CZ-CE1 4.21Å; F796-V949 HydrophobicContact CD1-CG1 4.04Å; F796-V949 HydrophobicContact CD1-CG2 4.3Å; F796-V949 HydrophobicContact CE1-CB 4.43Å; F796-V949 HydrophobicContact CE1-CG1 4.44Å; F796-V949 HydrophobicContact CE1-CG2 4.03Å |
| 797 | I | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 178.5 | -75.5 | 162.7 | 0 | 0 | 0 | 111 | F793 H794 W795 K799 F800 E801 F804 W950 V953 L971 V975 | F793-I797 WeakPolarHBondContact O-CB 3.49Å; F793-I797 WeakPolarHBondContact O-CG1 3.4Å; F793-I797 PolarHBondContact O-N 2.85Å; H794-I797 PolarHBondContact O-N 2.96Å; W795-I797 PolarHBondContact O-N 3Å; I797-K799 VanDerWaalsContact C-N 3.29Å; I797-K799 PolarHBondContact O-N 3.39Å; I797-F800 CarbonylContact O-C 3.56Å; I797-F800 VanDerWaalsContact O-C 3.32Å; I797-F800 PolarHBondContact O-N 3.13Å; I797-E801 WeakPolarHBondContact O-CA 3.2Å; I797-E801 PolarHBondContact O-N 3.49Å; I797-F804 HydrophobicContact CB-CD2 4.15Å; I797-F804 HydrophobicContact CB-CE2 4.22Å; I797-F804 HydrophobicContact CD1-CE1 4.38Å; I797-F804 HydrophobicContact CG1-CD1 4.02Å; I797-F804 HydrophobicContact CG1-CD2 3.81Å; I797-F804 HydrophobicContact CG1-CE1 3.8Å; I797-F804 HydrophobicContact CG1-CE2 3.6Å; I797-F804 HydrophobicContact CG1-CG 4.02Å; I797-F804 HydrophobicContact CG1-CZ 3.59Å; I797-F804 HydrophobicContact CG2-CB 4.47Å; I797-F804 HydrophobicContact CG2-CD2 4.24Å; I797-F804 HydrophobicContact CG2-CG 4.3Å; I797-W950 HydrophobicContact CD1-CE3 4.35Å; I797-W950 HydrophobicContact CD1-CZ3 4.34Å; I797-V953 HydrophobicContact CD1-CG2 3.91Å; I797-L971 HydrophobicContact CD1-CD1 4.46Å; I797-L971 HydrophobicContact CD1-CD2 3.78Å; I797-L971 HydrophobicContact CD1-CG 4.2Å; I797-L971 HydrophobicContact CG2-CD1 4.49Å; I797-V975 HydrophobicContact CG2-CG2 3.75Å |
| 798 | L | 90.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 22.8 Ų | 22.8 | 26% | 0.257 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 175.2 | -70.3 | -174.9 | 0 | 0 | 0 | 111.8 | H794 W795 F800 Y974 I1131 | H794-L798 WeakPolarHBondContact CE1-CD1 3.32Å; H794-L798 WeakPolarHBondContact O-CG 3.29Å; H794-L798 PolarHBondContact O-N 3.04Å; W795-L798 HydrophobicContact CE3-CD1 4.14Å; W795-L798 HydrophobicContact CZ3-CD1 4.16Å; W795-L798 PolarHBondContact O-N 3.37Å; L798-F800 VanDerWaalsContact C-N 3.35Å; L798-F800 PolarHBondContact O-N 3.31Å; L798-Y974 HydrophobicContact CD2-CD1 4.39Å; L798-Y974 HydrophobicContact CD2-CE1 3.59Å; L798-I1131 HydrophobicContact CD2-CD1 4.16Å |
| 799 | K | 88.1 | Confident | 91.2 | Very high | 61 Ų | 61 | 25 Ų | 25 | 27% | 0.265 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65 | -38 | 178.9 | -176.2 | 56.5 | 174.2 | 171.2 | 0 | 112.9 | D754 L766 W795 F796 I797 | D754-K799 IonicContact OD1-NZ 2.7Å; D754-K799 PolarHBondContact OD1-NZ 2.88Å; D754-K799 WeakPolarHBondContact OD2-CD 3.13Å; D754-K799 IonicContact OD2-NZ 3.22Å; D754-K799 PolarHBondContact OD2-NZ 3.45Å; L766-K799 HydrophobicContact CD1-CG 4.14Å; W795-K799 PolarHBondContact O-N 3.26Å; F796-K799 PolarHBondContact O-N 2.85Å; I797-K799 VanDerWaalsContact C-N 3.29Å; I797-K799 PolarHBondContact O-N 3.39Å |
| 800 | F | 91 | Very high | 90.6 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 36.2 | -178.5 | -58.6 | -74.2 | 0 | 0 | 0 | 112.1 | T763 L766 F796 I797 L798 N802 Q803 F804 Y946 | T763-F800 HydrophobicContact CG2-CE1 4Å; T763-F800 HydrophobicContact CG2-CZ 4.05Å; L766-F800 HydrophobicContact CB-CE2 4.26Å; L766-F800 HydrophobicContact CB-CZ 4.5Å; L766-F800 HydrophobicContact CD1-CE2 4.07Å; L766-F800 HydrophobicContact CD1-CZ 4.13Å; F796-F800 HydrophobicContact CD1-CD2 4.25Å; F796-F800 AromaticContact CD2-CD2 3.81Å; F796-F800 HydrophobicContact CD2-CD2 3.81Å; F796-F800 AromaticContact CD2-CE2 3.68Å; F796-F800 HydrophobicContact CD2-CE2 3.68Å; F796-F800 HydrophobicContact CE1-CD2 4.01Å; F796-F800 AromaticContact CE2-CD2 3.6Å; F796-F800 HydrophobicContact CE2-CD2 3.6Å; F796-F800 AromaticContact CE2-CE2 3.31Å; F796-F800 HydrophobicContact CE2-CE2 3.31Å; F796-F800 HydrophobicContact CE2-CZ 4.41Å; F796-F800 HydrophobicContact CG-CD2 4.17Å; F796-F800 HydrophobicContact CG-CE2 4.48Å; F796-F800 AromaticContact CZ-CD2 3.69Å; F796-F800 HydrophobicContact CZ-CD2 3.69Å; F796-F800 AromaticContact CZ-CE2 3.79Å; F796-F800 HydrophobicContact CZ-CE2 3.79Å; F796-F800 WeakPolarHBondContact O-CD2 3.39Å; F796-F800 PolarHBondContact O-N 3.47Å; F796-F800 VanDerWaalsContact O-N 3.09Å; I797-F800 CarbonylContact O-C 3.56Å; I797-F800 VanDerWaalsContact O-C 3.32Å; I797-F800 PolarHBondContact O-N 3.13Å; L798-F800 VanDerWaalsContact C-N 3.35Å; L798-F800 PolarHBondContact O-N 3.31Å; F800-N802 VanDerWaalsContact C-N 3.28Å; F800-N802 PolarHBondContact O-N 3.48Å; F800-Q803 VanDerWaalsContact C-OE1 3.28Å; F800-Q803 HydrophobicContact CB-CB 4.35Å; F800-Q803 WeakPolarHBondContact O-CB 3.43Å; F800-Q803 PolarHBondContact O-N 3.47Å; F800-Q803 PolarHBondContact O-OE1 2.97Å; F800-Q803 VanDerWaalsContact O-OE1 3.1Å; F800-F804 HydrophobicContact CB-CD2 4.19Å; F800-F804 HydrophobicContact CB-CE2 4.2Å; F800-F804 WeakPolarHBondContact O-CD2 3.1Å; F800-F804 PolarHBondContact O-N 3.06Å; F800-F804 VanDerWaalsContact O-N 3.13Å; F800-Y946 HydrophobicContact CB-CD1 4.31Å; F800-Y946 HydrophobicContact CB-CE1 3.79Å; F800-Y946 HydrophobicContact CD1-CE1 4.06Å; F800-Y946 HydrophobicContact CD2-CE1 4.13Å; F800-Y946 AromaticContact CG-CE1 3.73Å; F800-Y946 HydrophobicContact CG-CE1 3.73Å |
| 801 | E | 90.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 27.3 Ų | 27.3 | 22% | 0.224 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.2 | -46 | -170.7 | -179.4 | 174.4 | 153.7 | 0 | 0 | 111.8 | I797 Q803 F804 V805 Y974 R978 | I797-E801 WeakPolarHBondContact O-CA 3.2Å; I797-E801 PolarHBondContact O-N 3.49Å; E801-Q803 VanDerWaalsContact C-N 3.3Å; E801-Q803 PolarHBondContact O-N 3.43Å; E801-F804 PolarHBondContact O-N 2.85Å; E801-V805 HydrophobicContact CG-CG2 4.1Å; E801-V805 WeakPolarHBondContact O-CB 3.33Å; E801-V805 VanDerWaalsContact O-CG2 3.26Å; E801-V805 WeakPolarHBondContact O-CG2 3.39Å; E801-V805 PolarHBondContact O-N 3.27Å; E801-Y974 VanDerWaalsContact CD-OH 3.22Å; E801-Y974 PolarHBondContact OE1-OH 3.02Å; E801-Y974 PolarHBondContact OE2-OH 3.21Å; E801-R978 WeakPolarHBondContact OE1-CD 3.3Å; E801-R978 WeakPolarHBondContact OE1-CG 3.49Å; E801-R978 IonicContact OE1-CZ 3.37Å; E801-R978 IonicContact OE1-NE 2.71Å; E801-R978 PolarHBondContact OE1-NE 3.49Å |
| 802 | N | 88.7 | Confident | 89 | Confident | 97 Ų | 97 | 27.9 Ų | 27.9 | 52% | 0.519 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.1 | -39 | -179.8 | -68.4 | -35.1 | 0 | 0 | 0 | 112.6 | F800 T806 | F800-N802 VanDerWaalsContact C-N 3.28Å; F800-N802 PolarHBondContact O-N 3.48Å; N802-T806 WeakPolarHBondContact O-CB 3.35Å; N802-T806 PolarHBondContact O-N 2.77Å; N802-T806 PolarHBondContact O-OG1 3.47Å |
| 803 | Q | 90.8 | Very high | 88.1 | Confident | 73 Ų | 73 | 29.9 Ų | 29.9 | 34% | 0.341 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 178.2 | -68.9 | 75 | 10.6 | 0 | 0 | 110.8 | F800 E801 T806 I807 Y946 | F800-Q803 VanDerWaalsContact C-OE1 3.28Å; F800-Q803 HydrophobicContact CB-CB 4.35Å; F800-Q803 WeakPolarHBondContact O-CB 3.43Å; F800-Q803 PolarHBondContact O-N 3.47Å; F800-Q803 PolarHBondContact O-OE1 2.97Å; F800-Q803 VanDerWaalsContact O-OE1 3.1Å; E801-Q803 VanDerWaalsContact C-N 3.3Å; E801-Q803 PolarHBondContact O-N 3.43Å; Q803-T806 PolarHBondContact O-N 3.24Å; Q803-I807 WeakPolarHBondContact O-CB 3.21Å; Q803-I807 WeakPolarHBondContact O-CD1 3.46Å; Q803-I807 VanDerWaalsContact O-CG1 3.3Å; Q803-I807 WeakPolarHBondContact O-CG1 3.39Å; Q803-I807 PolarHBondContact O-N 3.21Å; Q803-Y946 HydrophobicContact CB-CD1 4.21Å; Q803-Y946 HydrophobicContact CB-CD2 4.25Å; Q803-Y946 HydrophobicContact CB-CE1 4.19Å; Q803-Y946 HydrophobicContact CB-CE2 4.24Å; Q803-Y946 HydrophobicContact CB-CG 4.25Å; Q803-Y946 HydrophobicContact CG-CE1 4.35Å; Q803-Y946 HydrophobicContact CG-CE2 4.07Å |
| 804 | F | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 177.1 | -80.2 | -79.9 | 0 | 0 | 0 | 112.2 | F796 I797 F800 E801 T806 I807 V808 Y946 V949 W950 | F796-F804 AromaticContact CD1-CE2 3.67Å; F796-F804 HydrophobicContact CD1-CE2 3.67Å; F796-F804 AromaticContact CD1-CZ 3.73Å; F796-F804 HydrophobicContact CD1-CZ 3.73Å; F796-F804 AromaticContact CE1-CE2 3.76Å; F796-F804 HydrophobicContact CE1-CE2 3.76Å; F796-F804 AromaticContact CE1-CZ 3.76Å; F796-F804 HydrophobicContact CE1-CZ 3.76Å; I797-F804 HydrophobicContact CB-CD2 4.15Å; I797-F804 HydrophobicContact CB-CE2 4.22Å; I797-F804 HydrophobicContact CD1-CE1 4.38Å; I797-F804 HydrophobicContact CG1-CD1 4.02Å; I797-F804 HydrophobicContact CG1-CD2 3.81Å; I797-F804 HydrophobicContact CG1-CE1 3.8Å; I797-F804 HydrophobicContact CG1-CE2 3.6Å; I797-F804 HydrophobicContact CG1-CG 4.02Å; I797-F804 HydrophobicContact CG1-CZ 3.59Å; I797-F804 HydrophobicContact CG2-CB 4.47Å; I797-F804 HydrophobicContact CG2-CD2 4.24Å; I797-F804 HydrophobicContact CG2-CG 4.3Å; F800-F804 HydrophobicContact CB-CD2 4.19Å; F800-F804 HydrophobicContact CB-CE2 4.2Å; F800-F804 WeakPolarHBondContact O-CD2 3.1Å; F800-F804 PolarHBondContact O-N 3.06Å; F800-F804 VanDerWaalsContact O-N 3.13Å; E801-F804 PolarHBondContact O-N 2.85Å; F804-T806 VanDerWaalsContact C-N 3.27Å; F804-T806 PolarHBondContact O-N 3.04Å; F804-I807 PolarHBondContact O-N 3.34Å; F804-V808 WeakPolarHBondContact O-CB 3.42Å; F804-V808 VanDerWaalsContact O-CG2 3.26Å; F804-V808 WeakPolarHBondContact O-CG2 3.28Å; F804-V808 PolarHBondContact O-N 3.08Å; F804-Y946 VanDerWaalsContact CE1-O 3.29Å; F804-Y946 WeakPolarHBondContact CE1-O 3.41Å; F804-Y946 AromaticContact CE2-CD1 3.96Å; F804-Y946 HydrophobicContact CE2-CD1 3.96Å; F804-Y946 HydrophobicContact CZ-CD1 4.23Å; F804-V949 HydrophobicContact CE1-CB 4.29Å; F804-V949 HydrophobicContact CE1-CG1 4.22Å; F804-V949 HydrophobicContact CZ-CB 4Å; F804-V949 HydrophobicContact CZ-CG1 3.83Å; F804-W950 HydrophobicContact CD1-CB 4.26Å; F804-W950 HydrophobicContact CD1-CD2 4.43Å; F804-W950 AromaticContact CD1-CE3 3.83Å; F804-W950 HydrophobicContact CD1-CE3 3.83Å; F804-W950 HydrophobicContact CE1-CB 4.03Å; F804-W950 HydrophobicContact CE1-CE3 4.25Å |
| 805 | V | 90.3 | Very high | 85.7 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 176 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E801 F809 V975 R978 V979 L982 | E801-V805 HydrophobicContact CG-CG2 4.1Å; E801-V805 WeakPolarHBondContact O-CB 3.33Å; E801-V805 VanDerWaalsContact O-CG2 3.26Å; E801-V805 WeakPolarHBondContact O-CG2 3.39Å; E801-V805 PolarHBondContact O-N 3.27Å; V805-F809 VanDerWaalsContact O-CB 3.24Å; V805-F809 WeakPolarHBondContact O-CB 3.39Å; V805-F809 PolarHBondContact O-N 3.35Å; V805-V975 HydrophobicContact CG2-CG1 4.48Å; V805-R978 HydrophobicContact CG2-CB 3.59Å; V805-V979 HydrophobicContact CB-CG2 4.31Å; V805-V979 HydrophobicContact CG1-CG2 3.82Å; V805-L982 HydrophobicContact CG1-CB 4.29Å; V805-L982 HydrophobicContact CG1-CD2 3.81Å |
| 806 | T | 87.4 | Confident | 84.6 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 34% | 0.337 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | N802 Q803 F804 V808 F809 E810 | N802-T806 WeakPolarHBondContact O-CB 3.35Å; N802-T806 PolarHBondContact O-N 2.77Å; N802-T806 PolarHBondContact O-OG1 3.47Å; Q803-T806 PolarHBondContact O-N 3.24Å; F804-T806 VanDerWaalsContact C-N 3.27Å; F804-T806 PolarHBondContact O-N 3.04Å; T806-V808 PolarHBondContact O-N 3.11Å; T806-F809 WeakPolarHBondContact O-CB 3.45Å; T806-F809 PolarHBondContact O-N 3.22Å; T806-E810 HydrophobicContact CG2-CG 4.4Å; T806-E810 WeakPolarHBondContact O-CG 3.42Å; T806-E810 PolarHBondContact O-N 3.3Å |
| 807 | I | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | -179.7 | -73.3 | 165.1 | 0 | 0 | 0 | 111.1 | Q803 F804 F809 E810 L811 Y946 V947 | Q803-I807 WeakPolarHBondContact O-CB 3.21Å; Q803-I807 WeakPolarHBondContact O-CD1 3.46Å; Q803-I807 VanDerWaalsContact O-CG1 3.3Å; Q803-I807 WeakPolarHBondContact O-CG1 3.39Å; Q803-I807 PolarHBondContact O-N 3.21Å; F804-I807 PolarHBondContact O-N 3.34Å; I807-F809 VanDerWaalsContact C-N 3.32Å; I807-F809 PolarHBondContact O-N 3.06Å; I807-E810 PolarHBondContact O-N 3.39Å; I807-L811 HydrophobicContact CG2-CD1 3.74Å; I807-L811 HydrophobicContact CG2-CG 4.28Å; I807-L811 WeakPolarHBondContact O-CB 3.34Å; I807-L811 WeakPolarHBondContact O-CG 3.3Å; I807-L811 PolarHBondContact O-N 2.91Å; I807-Y946 HydrophobicContact CD1-CD2 4.09Å; I807-Y946 HydrophobicContact CD1-CG 3.99Å; I807-V947 HydrophobicContact CD1-CG2 4.22Å; I807-V947 HydrophobicContact CG2-CG2 3.92Å |
| 808 | V | 86.6 | Confident | 82 | Confident | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | F804 T806 A812 W950 V975 V979 | F804-V808 WeakPolarHBondContact O-CB 3.42Å; F804-V808 VanDerWaalsContact O-CG2 3.26Å; F804-V808 WeakPolarHBondContact O-CG2 3.28Å; F804-V808 PolarHBondContact O-N 3.08Å; T806-V808 PolarHBondContact O-N 3.11Å; V808-A812 WeakPolarHBondContact O-CB 3.48Å; V808-A812 PolarHBondContact O-N 3.49Å; V808-W950 HydrophobicContact CG1-CZ2 4.4Å; V808-W950 HydrophobicContact CG2-CD2 3.88Å; V808-W950 HydrophobicContact CG2-CE3 4.39Å; V808-W950 HydrophobicContact CG2-CG 4.42Å; V808-W950 HydrophobicContact CG2-CH2 4.04Å; V808-W950 HydrophobicContact CG2-CZ2 3.46Å; V808-W950 VanDerWaalsContact CG2-CZ2 3.46Å; V808-W950 HydrophobicContact CG2-CZ3 4.47Å; V808-V975 HydrophobicContact CB-CG1 4.4Å; V808-V975 HydrophobicContact CG2-CG1 3.95Å; V808-V979 HydrophobicContact CB-CG2 3.93Å; V808-V979 HydrophobicContact CG1-CG2 3.87Å |
| 809 | F | 85.7 | Confident | 80 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 172.9 | 178.2 | -92.4 | 0 | 0 | 0 | 111.6 | V805 T806 I807 L811 A812 E813 V979 K983 | V805-F809 VanDerWaalsContact O-CB 3.24Å; V805-F809 WeakPolarHBondContact O-CB 3.39Å; V805-F809 PolarHBondContact O-N 3.35Å; T806-F809 WeakPolarHBondContact O-CB 3.45Å; T806-F809 PolarHBondContact O-N 3.22Å; I807-F809 VanDerWaalsContact C-N 3.32Å; I807-F809 PolarHBondContact O-N 3.06Å; F809-L811 PolarHBondContact O-N 2.82Å; F809-A812 PolarHBondContact O-N 2.82Å; F809-E813 HydrophobicContact CD1-CG 4.11Å; F809-E813 HydrophobicContact CE1-CG 3.62Å; F809-E813 HydrophobicContact CE2-CG 4.36Å; F809-E813 HydrophobicContact CZ-CG 3.76Å; F809-E813 WeakPolarHBondContact O-CG 3.4Å; F809-E813 PolarHBondContact O-N 3.42Å; F809-V979 HydrophobicContact CB-CG1 4.11Å; F809-V979 HydrophobicContact CD2-CG1 4.15Å; F809-K983 HydrophobicContact CD2-CG 3.94Å; F809-K983 HydrophobicContact CE2-CD 4.4Å; F809-K983 HydrophobicContact CE2-CG 3.63Å |
| 810 | E | 81.9 | Confident | 77.8 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 179.8 | -72.5 | -179.4 | 157.1 | 0 | 0 | 112.2 | T806 I807 A812 E813 E814 L939 | T806-E810 HydrophobicContact CG2-CG 4.4Å; T806-E810 WeakPolarHBondContact O-CG 3.42Å; T806-E810 PolarHBondContact O-N 3.3Å; I807-E810 PolarHBondContact O-N 3.39Å; E810-A812 VanDerWaalsContact C-N 3.31Å; E810-A812 PolarHBondContact O-N 3.4Å; E810-E813 PolarHBondContact O-N 2.97Å; E810-E814 WeakPolarHBondContact O-CB 3.46Å; E810-E814 PolarHBondContact O-N 3.5Å; E810-L939 HydrophobicContact CB-CD1 3.8Å; E810-L939 HydrophobicContact CG-CD1 4.45Å; E810-L939 WeakPolarHBondContact OE2-CD1 3.47Å |
| 811 | L | 78.6 | Confident | 75.2 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.7 | -69 | 170.5 | 0 | 0 | 0 | 111.7 | I807 F809 R815 L848 L939 | I807-L811 HydrophobicContact CG2-CD1 3.74Å; I807-L811 HydrophobicContact CG2-CG 4.28Å; I807-L811 WeakPolarHBondContact O-CB 3.34Å; I807-L811 WeakPolarHBondContact O-CG 3.3Å; I807-L811 PolarHBondContact O-N 2.91Å; F809-L811 PolarHBondContact O-N 2.82Å; L811-R815 WeakPolarHBondContact O-CB 3.19Å; L811-R815 PolarHBondContact O-N 2.92Å; L811-R815 VanDerWaalsContact O-N 3.13Å; L811-L848 HydrophobicContact CB-CD1 4.04Å; L811-L848 HydrophobicContact CB-CD2 4.25Å; L811-L848 HydrophobicContact CD1-CD1 3.97Å; L811-L848 HydrophobicContact CD1-CD2 3.77Å; L811-L848 HydrophobicContact CD2-CD2 3.87Å; L811-L848 HydrophobicContact CG-CD2 4.16Å; L811-L939 HydrophobicContact CD2-CB 3.96Å |
| 812 | A | 78.1 | Confident | 72.4 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V808 F809 E810 R816 | V808-A812 WeakPolarHBondContact O-CB 3.48Å; V808-A812 PolarHBondContact O-N 3.49Å; F809-A812 PolarHBondContact O-N 2.82Å; E810-A812 VanDerWaalsContact C-N 3.31Å; E810-A812 PolarHBondContact O-N 3.4Å; A812-R816 PolarHBondContact O-N 3.09Å |
| 813 | E | 77.2 | Confident | 69.6 | Low | 44 Ų | 44 | 61.4 Ų | 61.4 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -43.7 | 174.7 | -72.3 | -58.7 | 134.8 | 0 | 0 | 112.4 | F809 E810 R815 R816 Q817 | F809-E813 HydrophobicContact CD1-CG 4.11Å; F809-E813 HydrophobicContact CE1-CG 3.62Å; F809-E813 HydrophobicContact CE2-CG 4.36Å; F809-E813 HydrophobicContact CZ-CG 3.76Å; F809-E813 WeakPolarHBondContact O-CG 3.4Å; F809-E813 PolarHBondContact O-N 3.42Å; E810-E813 PolarHBondContact O-N 2.97Å; E813-R815 PolarHBondContact O-N 3.33Å; E813-R816 WeakPolarHBondContact O-CB 3.49Å; E813-R816 PolarHBondContact O-N 3.28Å; E813-R816 IonicContact OE1-CZ 2.77Å; E813-R816 IonicContact OE1-NH1 3.83Å; E813-R816 PolarHBondContact OE1-NH1 3.13Å; E813-R816 IonicContact OE1-NH2 3.78Å; E813-R816 PolarHBondContact OE1-NH2 3.43Å; E813-R816 IonicContact OE2-CZ 2.84Å; E813-R816 IonicContact OE2-NH1 2.62Å; E813-R816 PolarHBondContact OE2-NH1 2.87Å; E813-R816 IonicContact OE2-NH2 2.79Å; E813-Q817 WeakPolarHBondContact O-CG 3.23Å; E813-Q817 PolarHBondContact O-N 3.4Å |
| 814 | E | 75.1 | Confident | 66.6 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58 | -40 | 176.7 | -171.5 | 178.8 | 172.6 | 0 | 0 | 110.8 | E810 R816 Q817 T818 R938 L939 | E810-E814 WeakPolarHBondContact O-CB 3.46Å; E810-E814 PolarHBondContact O-N 3.5Å; E814-R816 PolarHBondContact O-N 3.24Å; E814-Q817 PolarHBondContact O-N 3.44Å; E814-T818 WeakPolarHBondContact O-CG2 3.39Å; E814-T818 PolarHBondContact O-N 2.89Å; E814-T818 VanDerWaalsContact O-N 3.08Å; E814-T818 PolarHBondContact O-OG1 3.09Å; E814-R938 WeakPolarHBondContact OE1-CA 3.34Å; E814-R938 WeakPolarHBondContact OE1-CB 3.28Å; E814-R938 VanDerWaalsContact OE1-CD 3.23Å; E814-R938 WeakPolarHBondContact OE1-CD 3.25Å; E814-R938 WeakPolarHBondContact OE1-CG 3.22Å; E814-L939 WeakPolarHBondContact OE2-CB 3.31Å; E814-L939 PolarHBondContact OE2-N 3.03Å; E814-L939 VanDerWaalsContact OE2-N 3.1Å |
| 815 | R | 62.6 | Low | 63.6 | Low | 60 Ų | 60 | 71.5 Ų | 71.5 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.2 | -162.8 | 174.5 | -171.4 | -124.6 | -1.7 | 112.7 | L811 E813 Q817 T818 E840 A843 A844 | L811-R815 WeakPolarHBondContact O-CB 3.19Å; L811-R815 PolarHBondContact O-N 2.92Å; L811-R815 VanDerWaalsContact O-N 3.13Å; E813-R815 PolarHBondContact O-N 3.33Å; R815-Q817 PolarHBondContact O-N 3.42Å; R815-T818 WeakPolarHBondContact CA-OG1 3.32Å; R815-T818 PolarHBondContact O-N 3.04Å; R815-T818 PolarHBondContact O-OG1 3.41Å; R815-E840 PolarHBondContact NH1-O 3.1Å; R815-A843 PolarHBondContact NH1-O 3.5Å; R815-A843 PolarHBondContact NH2-O 3.44Å; R815-A844 VanDerWaalsContact NH1-CA 3.26Å |
| 816 | R | 70.4 | Confident | 60.6 | Low | 129 Ų | 129 | 78.6 Ų | 78.6 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.3 | -152.7 | -173.6 | -61.2 | 123.6 | 11.8 | 111.9 | A812 E813 E814 | A812-R816 PolarHBondContact O-N 3.09Å; E813-R816 WeakPolarHBondContact O-CB 3.49Å; E813-R816 PolarHBondContact O-N 3.28Å; E813-R816 IonicContact OE1-CZ 2.77Å; E813-R816 IonicContact OE1-NH1 3.83Å; E813-R816 PolarHBondContact OE1-NH1 3.13Å; E813-R816 IonicContact OE1-NH2 3.78Å; E813-R816 PolarHBondContact OE1-NH2 3.43Å; E813-R816 IonicContact OE2-CZ 2.84Å; E813-R816 IonicContact OE2-NH1 2.62Å; E813-R816 PolarHBondContact OE2-NH1 2.87Å; E813-R816 IonicContact OE2-NH2 2.79Å; E814-R816 PolarHBondContact O-N 3.24Å |
| 817 | Q | 67.7 | Low | 57.7 | Low | 158 Ų | 158 | 79.1 Ų | 79.1 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -81.3 | -26.3 | 179.8 | -68 | 175.5 | 18.1 | 0 | 0 | 113.9 | E813 E814 R815 | E813-Q817 WeakPolarHBondContact O-CG 3.23Å; E813-Q817 PolarHBondContact O-N 3.4Å; E814-Q817 PolarHBondContact O-N 3.44Å; R815-Q817 PolarHBondContact O-N 3.42Å |
| 818 | T | 63.1 | Low | 55 | Low | 43 Ų | 43 | 88.4 Ų | 88.4 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -83.2 | -7.9 | -173.5 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | E814 R815 D820 | E814-T818 WeakPolarHBondContact O-CG2 3.39Å; E814-T818 PolarHBondContact O-N 2.89Å; E814-T818 VanDerWaalsContact O-N 3.08Å; E814-T818 PolarHBondContact O-OG1 3.09Å; R815-T818 WeakPolarHBondContact CA-OG1 3.32Å; R815-T818 PolarHBondContact O-N 3.04Å; R815-T818 PolarHBondContact O-OG1 3.41Å; T818-D820 VanDerWaalsContact C-N 3.32Å; T818-D820 PolarHBondContact O-N 3.05Å |
| 819 | G | 48.5 | Very low | 52.1 | Low | 54 Ų | 54 | 96.7 Ų | 96.7 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | trans | 72.7 | 13.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | W821 | G819-W821 PolarHBondContact O-N 3.14Š| ||
| 820 | D | 42.6 | Very low | 49.2 | Very low | 103 Ų | 103 | 102.7 Ų | 102.7 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | trans | -72.4 | 49.7 | 170.5 | -78.4 | -20.7 | 0 | 0 | 0 | 111.8 | T818 Q847 | T818-D820 VanDerWaalsContact C-N 3.32Å; T818-D820 PolarHBondContact O-N 3.05Å; D820-Q847 PolarHBondContact OD2-NE2 3.22Å | ||
| 821 | W | 36.3 | Very low | 46.6 | Very low | 165 Ų | 165 | 110.2 Ų | 110.2 | 63% | 0.625 | 58% | 0.579 | S | S | * | * | trans | -102.6 | 102.6 | 171.9 | -104.7 | 89.3 | 0 | 0 | 0 | 108.4 | G819 E840 | G819-W821 PolarHBondContact O-N 3.14Å; W821-E840 HydrophobicContact CZ2-CG 4.11Å | ||
| 822 | T | 30.7 | Very low | 44 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -89.7 | 112.9 | 152.1 | 41.3 | 0 | 0 | 0 | 0 | 106.5 | L824 | T822-L824 PolarHBondContact O-N 2.69Å; T822-L824 VanDerWaalsContact O-N 3.16Å | ||
| 823 | P | 30.8 | Very low | 41.6 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | trans | -67.1 | 117.7 | 170.2 | 20.8 | -15.8 | 0 | 0 | 0 | 106.6 | S825 | P823-S825 PolarHBondContact O-N 3.3Å; P823-S825 VanDerWaalsContact O-N 3.13Å | ||
| 824 | L | 27.9 | Very low | 39.4 | Very low | 172 Ų | 172 | 123 Ų | 123 | 90% | 0.901 | 66% | 0.659 | S | S | * | * | trans | -54.5 | 120.2 | 164.7 | -87.2 | 149.5 | 0 | 0 | 0 | 107.5 | T822 | T822-L824 PolarHBondContact O-N 2.69Å; T822-L824 VanDerWaalsContact O-N 3.16Å | ||
| 825 | S | 29.4 | Very low | 37.2 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -25 | 127.4 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 114.2 | P823 G827 | P823-S825 PolarHBondContact O-N 3.3Å; P823-S825 VanDerWaalsContact O-N 3.13Å; S825-G827 PolarHBondContact O-N 3.49Å | ||
| 826 | D | 26.2 | Very low | 35.8 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -45.3 | 117.6 | 168.4 | -78.7 | -46.1 | 0 | 0 | 0 | 112.2 | ||||
| 827 | G | 27.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | trans | -169.4 | 96.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S825 | S825-G827 PolarHBondContact O-N 3.49Š| ||
| 828 | H | 28.7 | Very low | 32.4 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 91% | 0.907 | 70% | 0.7 | S | S | * | * | trans | 81.4 | 76.6 | 177 | -67.9 | -56.7 | 0 | 0 | 0 | 118.6 | Q830 | H828-Q830 PolarHBondContact O-N 3.43Š| ||
| 829 | Q | 24.8 | Very low | 31.1 | Very low | 183 Ų | 183 | 126.6 Ų | 126.6 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | trans | -68.4 | 105.5 | 144.3 | -87.4 | 166.4 | -22.4 | 0 | 0 | 110.2 | ||||
| 830 | Q | 25.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -175.2 | 122.5 | 135.8 | -104.4 | 172.4 | 15.1 | 0 | 0 | 110.9 | H828 | H828-Q830 PolarHBondContact O-N 3.43Š| ||
| 831 | K | 26 | Very low | 30.4 | Very low | 195 Ų | 195 | 126 Ų | 126 | 85% | 0.848 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 82.9 | 92.1 | 170.5 | -57.8 | 176.2 | 177 | 175.7 | 0 | 116.6 | ||
| 832 | C | 25.3 | Very low | 30.7 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 56% | 0.561 | 68% | 0.682 | S | S | * | * | trans | 161.1 | 83.4 | 130.1 | -87.9 | 0 | 0 | 0 | 0 | 111.5 | S834 F835 | C832-S834 PolarHBondContact O-N 2.84Å; C832-S834 VanDerWaalsContact O-N 3.08Å; C832-F835 HydrophobicContact CB-CD2 4.18Å; C832-F835 PolarHBondContact O-N 3.2Å | ||
| 833 | D | 26.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 116.3 Ų | 116.3 | 91% | 0.914 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 6.8 | 176.1 | -70.2 | -29.6 | 0 | 0 | 0 | 114.3 | ||
| 834 | S | 31.4 | Very low | 31.9 | Very low | 93 Ų | 93 | 112 Ų | 112 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.2 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | C832 | C832-S834 PolarHBondContact O-N 2.84Å; C832-S834 VanDerWaalsContact O-N 3.08Å |
| 835 | F | 29.7 | Very low | 32.8 | Very low | 140 Ų | 140 | 104.8 Ų | 104.8 | 61% | 0.614 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -108.6 | -14 | -176.1 | -80.9 | -84.9 | 0 | 0 | 0 | 115.2 | C832 N837 L838 | C832-F835 HydrophobicContact CB-CD2 4.18Å; C832-F835 PolarHBondContact O-N 3.2Å; F835-N837 PolarHBondContact O-N 3.15Å; F835-L838 PolarHBondContact O-N 3.27Å |
| 836 | A | 31.8 | Very low | 33.7 | Very low | 69 Ų | 69 | 101.8 Ų | 101.8 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.9 | -29.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L838 | A836-L838 VanDerWaalsContact C-N 3.34Å; A836-L838 PolarHBondContact O-N 3.37Å |
| 837 | N | 37 | Very low | 34.8 | Very low | 125 Ų | 125 | 95.9 Ų | 95.9 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.9 | -18.1 | 179.4 | -79.2 | -30.1 | 0 | 0 | 0 | 114.4 | F835 | F835-N837 PolarHBondContact O-N 3.15Å |
| 838 | L | 31.4 | Very low | 35.9 | Very low | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.2 | -34.8 | 176.5 | -108.7 | 90.9 | 0 | 0 | 0 | 112.1 | F835 A836 L841 A842 | F835-L838 PolarHBondContact O-N 3.27Å; A836-L838 VanDerWaalsContact C-N 3.34Å; A836-L838 PolarHBondContact O-N 3.37Å; L838-L841 WeakPolarHBondContact O-CB 3.47Å; L838-L841 PolarHBondContact O-N 3.34Å; L838-A842 WeakPolarHBondContact O-CB 3.27Å; L838-A842 PolarHBondContact O-N 3.4Å |
| 839 | G | 34.9 | Very low | 37 | Very low | 46 Ų | 46 | 87 Ų | 87 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L841 A843 | G839-L841 PolarHBondContact O-N 3.38Å; G839-A843 PolarHBondContact O-N 2.93Å |
| 840 | E | 38.2 | Very low | 38.1 | Very low | 93 Ų | 93 | 86.9 Ų | 86.9 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 174.6 | -67.9 | -170.9 | 167.9 | 0 | 0 | 112.4 | R815 W821 A844 | R815-E840 PolarHBondContact NH1-O 3.1Å; W821-E840 HydrophobicContact CZ2-CG 4.11Å; E840-A844 WeakPolarHBondContact O-CB 3.4Å; E840-A844 PolarHBondContact O-N 3.24Å |
| 841 | L | 38.8 | Very low | 39.1 | Very low | 52 Ų | 52 | 81.3 Ų | 81.3 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -80.2 | -42.7 | -177 | -171.3 | 68.5 | 0 | 0 | 0 | 112.2 | L838 G839 A843 A844 V845 N976 | L838-L841 WeakPolarHBondContact O-CB 3.47Å; L838-L841 PolarHBondContact O-N 3.34Å; G839-L841 PolarHBondContact O-N 3.38Å; L841-A843 VanDerWaalsContact C-N 3.34Å; L841-A843 PolarHBondContact O-N 3.41Å; L841-A844 WeakPolarHBondContact O-CB 3.38Å; L841-A844 PolarHBondContact O-N 3.37Å; L841-A844 VanDerWaalsContact O-N 3.09Å; L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 3.09Å; L841-N976 HydrophobicContact CD2-CB 3.9Å; L841-N976 WeakPolarHBondContact CD2-ND2 3.41Å |
| 842 | A | 41.8 | Very low | 39.8 | Very low | 54 Ų | 54 | 72.2 Ų | 72.2 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L838 A844 V845 D846 | L838-A842 WeakPolarHBondContact O-CB 3.27Å; L838-A842 PolarHBondContact O-N 3.4Å; A842-A844 VanDerWaalsContact C-N 3.26Å; A842-A844 PolarHBondContact O-N 2.97Å; A842-V845 WeakPolarHBondContact O-CB 3.39Å; A842-V845 PolarHBondContact O-N 3.44Å; A842-D846 PolarHBondContact O-N 2.83Å |
| 843 | A | 43.8 | Very low | 40.7 | Very low | 35 Ų | 35 | 69.5 Ų | 69.5 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -31.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R815 G839 L841 D846 Q847 | R815-A843 PolarHBondContact NH1-O 3.5Å; R815-A843 PolarHBondContact NH2-O 3.44Å; G839-A843 PolarHBondContact O-N 2.93Å; L841-A843 VanDerWaalsContact C-N 3.34Å; L841-A843 PolarHBondContact O-N 3.41Å; A843-D846 PolarHBondContact O-N 3.28Å; A843-Q847 PolarHBondContact O-N 3.27Å; A843-Q847 VanDerWaalsContact O-N 3.1Å |
| 844 | A | 43.3 | Very low | 41.1 | Very low | 11 Ų | 11 | 68.4 Ų | 68.4 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.7 | -38.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | R815 E840 L841 A842 L848 | R815-A844 VanDerWaalsContact NH1-CA 3.26Å; E840-A844 WeakPolarHBondContact O-CB 3.4Å; E840-A844 PolarHBondContact O-N 3.24Å; L841-A844 WeakPolarHBondContact O-CB 3.38Å; L841-A844 PolarHBondContact O-N 3.37Å; L841-A844 VanDerWaalsContact O-N 3.09Å; A842-A844 VanDerWaalsContact C-N 3.26Å; A842-A844 PolarHBondContact O-N 2.97Å; A844-L848 WeakPolarHBondContact O-CB 3.35Å; A844-L848 WeakPolarHBondContact O-CG 3.34Å; A844-L848 PolarHBondContact O-N 3.36Å |
| 845 | V | 46.2 | Very low | 41.2 | Very low | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 168.9 | 165.8 | 0 | 0 | 0 | 0 | 110.2 | L841 A842 Q847 L848 R849 L954 I972 | L841-V845 WeakPolarHBondContact O-CG2 3.49Å; L841-V845 PolarHBondContact O-N 3.09Å; A842-V845 WeakPolarHBondContact O-CB 3.39Å; A842-V845 PolarHBondContact O-N 3.44Å; V845-Q847 PolarHBondContact O-N 3.44Å; V845-L848 PolarHBondContact O-N 3.05Å; V845-R849 WeakPolarHBondContact O-CB 3.42Å; V845-R849 PolarHBondContact O-N 3.49Å; V845-L954 HydrophobicContact CB-CD2 4.39Å; V845-L954 HydrophobicContact CG1-CD2 3.86Å; V845-L954 HydrophobicContact CG2-CD2 4.21Å; V845-I972 HydrophobicContact CG2-CG2 4.46Å |
| 846 | D | 48.1 | Very low | 41.4 | Very low | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 179.8 | -78.8 | -2.2 | 0 | 0 | 0 | 114.5 | A842 A843 R849 R850 | A842-D846 PolarHBondContact O-N 2.83Å; A843-D846 PolarHBondContact O-N 3.28Å; D846-R849 WeakPolarHBondContact O-CB 3.24Å; D846-R849 IonicContact OD1-CZ 2.76Å; D846-R849 VanDerWaalsContact OD1-CZ 3.24Å; D846-R849 IonicContact OD1-NH1 3.92Å; D846-R849 PolarHBondContact OD1-NH1 3.49Å; D846-R849 IonicContact OD1-NH2 2.9Å; D846-R849 PolarHBondContact OD1-NH2 3.5Å; D846-R850 PolarHBondContact O-N 3.24Å; D846-R850 VanDerWaalsContact O-N 3.09Å |
| 847 | Q | 50.7 | Low | 41.4 | Very low | 35 Ų | 35 | 57.9 Ų | 57.9 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.9 | -40.7 | 179.5 | -167.5 | 160.5 | 1.9 | 0 | 0 | 111.5 | D820 A843 V845 R849 R850 E851 | D820-Q847 PolarHBondContact OD2-NE2 3.22Å; A843-Q847 PolarHBondContact O-N 3.27Å; A843-Q847 VanDerWaalsContact O-N 3.1Å; V845-Q847 PolarHBondContact O-N 3.44Å; Q847-R849 PolarHBondContact O-N 3.36Å; Q847-R850 PolarHBondContact O-N 3.47Å; Q847-E851 PolarHBondContact O-N 3.17Å |
| 848 | L | 49.2 | Very low | 41 | Very low | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 170.5 | -76 | 167.5 | 0 | 0 | 0 | 111.9 | L811 A844 V845 E851 S852 L954 | L811-L848 HydrophobicContact CB-CD1 4.04Å; L811-L848 HydrophobicContact CB-CD2 4.25Å; L811-L848 HydrophobicContact CD1-CD1 3.97Å; L811-L848 HydrophobicContact CD1-CD2 3.77Å; L811-L848 HydrophobicContact CD2-CD2 3.87Å; L811-L848 HydrophobicContact CG-CD2 4.16Å; A844-L848 WeakPolarHBondContact O-CB 3.35Å; A844-L848 WeakPolarHBondContact O-CG 3.34Å; A844-L848 PolarHBondContact O-N 3.36Å; V845-L848 PolarHBondContact O-N 3.05Å; L848-E851 PolarHBondContact O-N 3.43Å; L848-S852 VanDerWaalsContact O-CB 3.25Å; L848-S852 WeakPolarHBondContact O-CB 3.32Å; L848-S852 PolarHBondContact O-N 2.91Å; L848-L954 HydrophobicContact CB-CD1 3.73Å |
| 849 | R | 51 | Low | 41 | Very low | 50 Ų | 50 | 54.8 Ų | 54.8 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 172.5 | -172.5 | -169.2 | -64 | 142 | 1.3 | 110.8 | V845 D846 Q847 E851 S852 S853 T957 T958 | V845-R849 WeakPolarHBondContact O-CB 3.42Å; V845-R849 PolarHBondContact O-N 3.49Å; D846-R849 WeakPolarHBondContact O-CB 3.24Å; D846-R849 IonicContact OD1-CZ 2.76Å; D846-R849 VanDerWaalsContact OD1-CZ 3.24Å; D846-R849 IonicContact OD1-NH1 3.92Å; D846-R849 PolarHBondContact OD1-NH1 3.49Å; D846-R849 IonicContact OD1-NH2 2.9Å; D846-R849 PolarHBondContact OD1-NH2 3.5Å; Q847-R849 PolarHBondContact O-N 3.36Å; R849-E851 PolarHBondContact O-N 3.17Å; R849-S852 WeakPolarHBondContact O-CB 3.38Å; R849-S852 PolarHBondContact O-N 3.35Å; R849-S852 PolarHBondContact O-OG 2.97Å; R849-S853 PolarHBondContact O-OG 2.94Å; R849-T957 PolarHBondContact NE-OG1 3.12Å; R849-T957 PolarHBondContact NH2-OG1 2.92Å; R849-T958 VanDerWaalsContact NE-CG2 3.32Å |
| 850 | R | 48.1 | Very low | 40.9 | Very low | 181 Ų | 181 | 56.9 Ų | 56.9 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 176.3 | -79.3 | -177 | -97.1 | 168.7 | -11.4 | 113.3 | D846 Q847 | D846-R850 PolarHBondContact O-N 3.24Å; D846-R850 VanDerWaalsContact O-N 3.09Å; Q847-R850 PolarHBondContact O-N 3.47Å |
| 851 | E | 46.7 | Very low | 40.3 | Very low | 61 Ų | 61 | 57.1 Ų | 57.1 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.2 | -27.7 | 176.4 | -67.7 | -175.8 | 165.1 | 0 | 0 | 113 | Q847 L848 R849 S853 F854 S940 | Q847-E851 PolarHBondContact O-N 3.17Å; L848-E851 PolarHBondContact O-N 3.43Å; R849-E851 PolarHBondContact O-N 3.17Å; E851-S853 VanDerWaalsContact C-N 3.33Å; E851-S853 PolarHBondContact O-N 3.06Å; E851-F854 PolarHBondContact O-N 3.34Å; E851-S940 WeakPolarHBondContact OE2-CB 3.22Å |
| 852 | S | 41.9 | Very low | 39.6 | Very low | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | -177.7 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | L848 R849 F854 | L848-S852 VanDerWaalsContact O-CB 3.25Å; L848-S852 WeakPolarHBondContact O-CB 3.32Å; L848-S852 PolarHBondContact O-N 2.91Å; R849-S852 WeakPolarHBondContact O-CB 3.38Å; R849-S852 PolarHBondContact O-N 3.35Å; R849-S852 PolarHBondContact O-OG 2.97Å; S852-F854 VanDerWaalsContact C-N 3.27Å; S852-F854 PolarHBondContact O-N 3.41Å |
| 853 | S | 43.4 | Very low | 38.8 | Very low | 26 Ų | 26 | 61.8 Ų | 61.8 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -32.8 | 179.4 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | R849 E851 T1316 | R849-S853 PolarHBondContact O-OG 2.94Å; E851-S853 VanDerWaalsContact C-N 3.33Å; E851-S853 PolarHBondContact O-N 3.06Å; S853-T1316 WeakPolarHBondContact O-CG2 3.42Å; S853-T1316 PolarHBondContact O-OG1 3.07Å |
| 854 | F | 34.9 | Very low | 37.9 | Very low | 148 Ų | 148 | 65.1 Ų | 65.1 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -75.9 | -35.6 | -174.8 | -172.1 | -95.4 | 0 | 0 | 0 | 112.4 | E851 S852 C858 T1316 | E851-F854 PolarHBondContact O-N 3.34Å; S852-F854 VanDerWaalsContact C-N 3.27Å; S852-F854 PolarHBondContact O-N 3.41Å; F854-C858 PolarHBondContact O-SG 3.46Å; F854-T1316 HydrophobicContact CB-CG2 4.36Å |
| 855 | A | 34.2 | Very low | 37 | Very low | 24 Ų | 24 | 74.1 Ų | 74.1 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -81.5 | -29.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C858 | A855-C858 PolarHBondContact O-N 3.47Å |
| 856 | I | 34.7 | Very low | 36 | Very low | 22 Ų | 22 | 78.9 Ų | 78.9 | 11% | 0.113 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.8 | -42 | 179.4 | -63.8 | 174 | 0 | 0 | 0 | 110.3 | C858 N859 V860 | I856-C858 PolarHBondContact O-N 3.34Å; I856-N859 PolarHBondContact O-N 2.95Å; I856-V860 HydrophobicContact CG2-CG2 4.45Å; I856-V860 WeakPolarHBondContact O-CG2 3.08Å; I856-V860 PolarHBondContact O-N 3.43Å |
| 857 | A | 32.1 | Very low | 34.9 | Very low | 35 Ų | 35 | 83.2 Ų | 83.2 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58 | -33.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N859 V860 S861 | A857-N859 VanDerWaalsContact C-N 3.34Å; A857-N859 PolarHBondContact O-N 3.42Å; A857-V860 PolarHBondContact O-N 3.4Å; A857-S861 PolarHBondContact O-OG 2.96Å; A857-S861 VanDerWaalsContact O-OG 3.08Å |
| 858 | C | 28.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 90.5 Ų | 90.5 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -26.4 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | F854 A855 I856 | F854-C858 PolarHBondContact O-SG 3.46Å; A855-C858 PolarHBondContact O-N 3.47Å; I856-C858 PolarHBondContact O-N 3.34Å |
| 859 | N | 30.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 94.5 Ų | 94.5 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -88.6 | -16.9 | 177 | -79.7 | -14.1 | 0 | 0 | 0 | 113.2 | I856 A857 | I856-N859 PolarHBondContact O-N 2.95Å; A857-N859 VanDerWaalsContact C-N 3.34Å; A857-N859 PolarHBondContact O-N 3.42Å |
| 860 | V | 32.2 | Very low | 31.6 | Very low | 90 Ų | 90 | 97.6 Ų | 97.6 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -85.4 | -16.6 | 178.8 | 178 | 0 | 0 | 0 | 0 | 112.1 | I856 A857 S862 | I856-V860 HydrophobicContact CG2-CG2 4.45Å; I856-V860 WeakPolarHBondContact O-CG2 3.08Å; I856-V860 PolarHBondContact O-N 3.43Å; A857-V860 PolarHBondContact O-N 3.4Å; V860-S862 PolarHBondContact O-N 3Å |
| 861 | S | 26.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 98 Ų | 98 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -79.1 | 23.4 | -178.2 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | A857 | A857-S861 PolarHBondContact O-OG 2.96Å; A857-S861 VanDerWaalsContact O-OG 3.08Å |
| 862 | S | 24.6 | Very low | 29.9 | Very low | 107 Ų | 107 | 101.3 Ų | 101.3 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -149.8 | 57.4 | -179.1 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | V860 | V860-S862 PolarHBondContact O-N 3Š|
| 863 | S | 23.9 | Very low | 29.4 | Very low | 97 Ų | 97 | 107.2 Ų | 107.2 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | trans | -151.2 | 56 | 161.6 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | F865 | S863-F865 PolarHBondContact O-N 3.34Š| ||
| 864 | S | 24.6 | Very low | 28.8 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | trans | -73.4 | 103.3 | 159.4 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | V866 | S864-V866 PolarHBondContact O-N 3.01Š| ||
| 865 | F | 25 | Very low | 28.9 | Very low | 199 Ų | 199 | 109.9 Ų | 109.9 | 87% | 0.873 | 65% | 0.652 | S | S | * | * | trans | -56.9 | 107.8 | 161 | -96.7 | -91.9 | 0 | 0 | 0 | 107.8 | S863 I867 | S863-F865 PolarHBondContact O-N 3.34Å; F865-I867 PolarHBondContact O-N 2.76Å | ||
| 866 | V | 24.2 | Very low | 28.7 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -69.3 | 96.8 | 171.6 | 176.2 | 0 | 0 | 0 | 0 | 107.3 | S864 K868 | S864-V866 PolarHBondContact O-N 3.01Å; V866-K868 HydrophobicContact CG1-CG 4.4Å; V866-K868 PolarHBondContact O-N 3.31Å; V866-K868 VanDerWaalsContact O-N 3.14Å | ||
| 867 | I | 26.8 | Very low | 28.5 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | -65.4 | 106.9 | 158.6 | -63.4 | 175.9 | 0 | 0 | 0 | 105.6 | F865 T869 | F865-I867 PolarHBondContact O-N 2.76Å; I867-T869 VanDerWaalsContact C-N 3.34Å; I867-T869 HydrophobicContact CG2-CG2 4.3Å; I867-T869 PolarHBondContact O-N 3.09Å | ||
| 868 | K | 25.1 | Very low | 28.4 | Very low | 189 Ų | 189 | 125.5 Ų | 125.5 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -68.9 | 95.7 | 166.1 | -81 | -177.6 | 175.6 | 179 | 0 | 108 | V866 | V866-K868 HydrophobicContact CG1-CG 4.4Å; V866-K868 PolarHBondContact O-N 3.31Å; V866-K868 VanDerWaalsContact O-N 3.14Å | ||
| 869 | T | 26.6 | Very low | 28.4 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.5 | 157.2 | 47.2 | 0 | 0 | 0 | 0 | 108.2 | I867 E871 | I867-T869 VanDerWaalsContact C-N 3.34Å; I867-T869 HydrophobicContact CG2-CG2 4.3Å; I867-T869 PolarHBondContact O-N 3.09Å; T869-E871 PolarHBondContact O-N 3Å |
| 870 | P | 30 | Very low | 28.4 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 119 | 167.6 | 28 | -27.9 | 0 | 0 | 0 | 108.5 | T872 | P870-T872 PolarHBondContact O-N 3.08Š|
| 871 | E | 28.2 | Very low | 28 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.8 | 169.7 | -68.8 | 177 | 160.6 | 0 | 0 | 109.6 | T869 | T869-E871 PolarHBondContact O-N 3Š|
| 872 | T | 29.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -119.1 | 123.2 | 160 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | P870 | P870-T872 PolarHBondContact O-N 3.08Š| ||
| 873 | P | 32 | Very low | 28.2 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 128.9 | 167.2 | 30.9 | -27.7 | 0 | 0 | 0 | 109.6 | ||||
| 874 | S | 29.7 | Very low | 28.3 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -88.3 | 173.3 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 875 | P | 38.4 | Very low | 28.3 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | -133.5 | 162.6 | -87.8 | 32 | -11.7 | 0 | 0 | 0 | 113.6 | |||||
| 876 | E | 29.2 | Very low | 28.3 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -135.1 | 127.5 | 158.7 | -80.7 | -169.8 | 162.8 | 0 | 0 | 112 | ||||
| 877 | A | 31.5 | Very low | 28.3 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 72 | 106.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 878 | T | 29.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | 74.5 | 126.4 | 127.4 | 51.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 879 | D | 27.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 85.4 | 122.8 | 148.2 | -63.7 | -13.9 | 0 | 0 | 0 | 122.1 | ||||
| 880 | G | 29.9 | Very low | 28.3 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 117.4 | 82.1 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 881 | S | 25.3 | Very low | 28.2 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 18.8 | 144.5 | 140.6 | 60.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 882 | T | 29.8 | Very low | 28 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 93.5 | 109.7 | 138.2 | 22.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 883 | E | 24.4 | Very low | 27.9 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 49.4 | 129.2 | 126 | -67.7 | -173 | 170.1 | 0 | 0 | 125.3 | |||||
| 884 | A | 26.5 | Very low | 27.6 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 93.4 | 116 | 130.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 885 | N | 25.1 | Very low | 27.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 52.1 | 114.5 | 132.2 | -68.7 | -20.3 | 0 | 0 | 0 | 122.5 | ||||
| 886 | S | 24.7 | Very low | 26.8 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 146.9 | 133.1 | 101.1 | 61.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 887 | A | 23.7 | Very low | 26.6 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 17.3 | 127.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 888 | F | 27.8 | Very low | 26.2 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | -163.4 | 143.7 | 120.4 | -124.2 | -91.6 | 0 | 0 | 0 | 112.8 | |||||
| 889 | S | 22.2 | Very low | 26 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -48.6 | 144.1 | 179.5 | 145.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 890 | L | 30 | Very low | 25.9 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | trans | -168.4 | 112.1 | 135.9 | -100.6 | 156 | 0 | 0 | 0 | 113.7 | ||||
| 891 | R | 27.2 | Very low | 25.7 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 83% | 0.829 | S | S | * | * | trans | 44.7 | 118.9 | 138.2 | -72.4 | -179.8 | -179.7 | 174.5 | -0.4 | 121.5 | ||||
| 892 | M | 23.3 | Very low | 25.8 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | trans | -49 | 133.4 | 153.1 | -66.1 | -171.1 | 147.5 | 0 | 0 | 113.5 | ||||
| 893 | N | 28.3 | Very low | 25.6 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -155.5 | 93.4 | 147.1 | -110.9 | -9.4 | 0 | 0 | 0 | 109.4 | ||||
| 894 | T | 24.6 | Very low | 25.8 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -84.1 | 109 | 163.4 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 895 | R | 24.6 | Very low | 25.9 | Very low | 248 Ų | 248 | 153.8 Ų | 153.8 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | trans | -160.6 | 140.5 | 156.9 | -107.4 | 174.5 | -171.9 | -170.7 | 1.8 | 109.7 | ||||
| 896 | A | 26.4 | Very low | 25.9 | Very low | 96 Ų | 96 | 156 Ų | 156 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | trans | 85.2 | 93 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 897 | S | 26.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 159.6 Ų | 159.6 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -170.5 | 62.9 | 142.2 | -75.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 898 | V | 23.6 | Very low | 26.2 | Very low | 151 Ų | 151 | 158.7 Ų | 158.7 | 92% | 0.915 | 85% | 0.847 | S | S | * | * | trans | -138.7 | 81.2 | 165.1 | -173.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 899 | A | 25 | Very low | 26.3 | Very low | 90 Ų | 90 | 158.1 Ų | 158.1 | 74% | 0.744 | 85% | 0.847 | S | S | * | * | trans | -168.2 | 84.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 900 | R | 25.9 | Very low | 26.3 | Very low | 243 Ų | 243 | 162.5 Ų | 162.5 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | 179 | 93.2 | 154.6 | -104.9 | 179.5 | -124.4 | -172.7 | -0.2 | 109.3 | ||||
| 901 | L | 25.3 | Very low | 26.2 | Very low | 164 Ų | 164 | 160.8 Ų | 160.8 | 86% | 0.859 | 86% | 0.858 | S | S | * | * | trans | -176.1 | 94 | 155.1 | -101.5 | 155.6 | 0 | 0 | 0 | 105.2 | ||||
| 902 | F | 26.5 | Very low | 26 | Very low | 184 Ų | 184 | 157 Ų | 157 | 81% | 0.807 | 86% | 0.855 | S | S | * | * | trans | 161 | 96.2 | 153.9 | -85.4 | -60.4 | 0 | 0 | 0 | 108.5 | ||||
| 903 | G | 25.4 | Very low | 26.1 | Very low | 73 Ų | 73 | 160.2 Ų | 160.2 | 75% | 0.753 | 86% | 0.857 | S | S | * | * | trans | 158.1 | 101.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 904 | L | 29.4 | Very low | 26 | Very low | 181 Ų | 181 | 156 Ų | 156 | 95% | 0.948 | 85% | 0.845 | S | S | * | * | trans | -154.5 | 109.9 | 142 | -103.9 | 167.6 | 0 | 0 | 0 | 109.4 | ||||
| 905 | V | 28.9 | Very low | 26 | Very low | 134 Ų | 134 | 156.9 Ų | 156.9 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | trans | -77.5 | 143 | 169.7 | 161.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 906 | K | 26 | Very low | 26.2 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | trans | -55.2 | 132.1 | 167.3 | -76.7 | 176.4 | 171.3 | 177.5 | 0 | 111.8 | ||||
| 907 | Q | 29.4 | Very low | 26.3 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -143.6 | 123.9 | 143 | -117.7 | 178.6 | 2.2 | 0 | 0 | 108.4 | ||||
| 908 | G | 24.4 | Very low | 26.2 | Very low | 72 Ų | 72 | 153.9 Ų | 153.9 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -93.6 | 155.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 909 | Q | 29.6 | Very low | 26.5 | Very low | 201 Ų | 201 | 154 Ų | 154 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -151.8 | 144.4 | 149.7 | -112.1 | 176.8 | -3.4 | 0 | 0 | 110.4 | ||||
| 910 | Q | 23 | Very low | 26.6 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | -72.4 | 151.7 | -170.8 | -66.5 | 155.6 | -56.1 | 0 | 0 | 113.6 | ||||
| 911 | S | 28 | Very low | 26.8 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | -162.3 | 138.1 | 123.7 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 912 | D | 21.4 | Very low | 27 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -61.7 | 164.9 | 178.3 | -69.7 | -57.7 | 0 | 0 | 0 | 113.6 | ||||
| 913 | W | 27.1 | Very low | 27.1 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | 174.6 | 103.3 | 125.6 | -92.1 | 92.1 | 0 | 0 | 0 | 111.1 | |||||
| 914 | A | 26.2 | Very low | 27.2 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 65% | 0.653 | 82% | 0.817 | S | S | * | * | trans | 23.3 | 130.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 915 | L | 24.3 | Very low | 27.1 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 53.7 | 125.8 | 131.5 | -82.8 | 108.5 | 0 | 0 | 0 | 122.8 | ||||
| 916 | S | 29.1 | Very low | 27.1 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | -178.9 | 174.2 | 97.2 | 62 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 917 | K | 27.6 | Very low | 27.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -104.3 | 168 | -142.9 | -75.1 | 174.4 | 166.3 | 176 | 0 | 116.3 | ||||
| 918 | S | 25.1 | Very low | 27 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 72.4 | 135.1 | 146.7 | 51.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 919 | D | 30 | Very low | 27 | Very low | 154 Ų | 154 | 155.7 Ų | 155.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | cis | -149.5 | 163.5 | 39.9 | -91.6 | -45.7 | 0 | 0 | 0 | 115.5 | ||||
| 920 | T | 25.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -63.1 | 141 | -176.5 | 33.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 921 | V | 30.2 | Very low | 27.1 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | -150.9 | 133.6 | 132.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 922 | P | 28.9 | Very low | 27.3 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 124.3 | -175 | 33.1 | -29.7 | 0 | 0 | 0 | 112.2 | ||||
| 923 | I | 28.7 | Very low | 27.6 | Very low | 130 Ų | 130 | 162.1 Ų | 162.1 | 67% | 0.667 | 81% | 0.813 | S | S | * | * | trans | -117.6 | 133.8 | 164.8 | -60.6 | 174.3 | 0 | 0 | 0 | 106.3 | H925 | I923-H925 PolarHBondContact O-N 2.96Š| ||
| 924 | P | 27.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 96.5 | -178 | 29.8 | -31.7 | 0 | 0 | 0 | 109.5 | H926 | P924-H926 PolarHBondContact O-N 3.06Š| ||
| 925 | H | 27.7 | Very low | 28 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 115.1 | 165.8 | -83.6 | -68.4 | 0 | 0 | 0 | 109.3 | I923 D927 | I923-H925 PolarHBondContact O-N 2.96Å; H925-D927 PolarHBondContact O-N 3.32Å; H925-D927 VanDerWaalsContact O-N 3.14Å | ||
| 926 | H | 28.5 | Very low | 28.6 | Very low | 194 Ų | 194 | 153.6 Ų | 153.6 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -54.9 | 114.9 | 161.7 | -105.6 | -74 | 0 | 0 | 0 | 109.5 | P924 R928 | P924-H926 PolarHBondContact O-N 3.06Å; H926-R928 PolarHBondContact O-N 2.96Å | ||
| 927 | D | 26.8 | Very low | 29.3 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -62.8 | 98.5 | 176 | -112.4 | -33.9 | 0 | 0 | 0 | 110.6 | H925 K929 | H925-D927 PolarHBondContact O-N 3.32Å; H925-D927 VanDerWaalsContact O-N 3.14Å; D927-K929 VanDerWaalsContact C-N 3.27Å; D927-K929 PolarHBondContact O-N 3.21Å | ||
| 928 | R | 26.8 | Very low | 30.4 | Very low | 243 Ų | 243 | 148.9 Ų | 148.9 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -92 | 61.8 | 160.7 | -158.5 | 176.5 | -176.3 | 179.6 | 2.1 | 109.3 | H926 | H926-R928 PolarHBondContact O-N 2.96Š| ||
| 929 | K | 24.5 | Very low | 31.8 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | trans | -137 | 60.5 | 167.8 | -83 | -172.3 | -179 | 172.6 | 0 | 111.5 | D927 | D927-K929 VanDerWaalsContact C-N 3.27Å; D927-K929 PolarHBondContact O-N 3.21Å | ||
| 930 | Q | 27.3 | Very low | 32.8 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | trans | -115.5 | 85.1 | 146.4 | -86.5 | -173.5 | -18.9 | 0 | 0 | 108.1 | S932 | Q930-S932 PolarHBondContact O-N 2.98Š| ||
| 931 | R | 28.5 | Very low | 34.2 | Very low | 253 Ų | 253 | 139 Ų | 139 | 96% | 0.955 | 70% | 0.701 | S | S | * | * | trans | -80.6 | 103.3 | 153.8 | -94.8 | -174.4 | 174.9 | 177.3 | -1.1 | 106.5 | ||||
| 932 | S | 30.6 | Very low | 35.3 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -47.7 | 142.2 | 164.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | Q930 D934 | Q930-S932 PolarHBondContact O-N 2.98Å; S932-D934 PolarHBondContact O-N 3.43Å; S932-D934 VanDerWaalsContact O-N 3.14Å | ||
| 933 | R | 29.1 | Very low | 37 | Very low | 248 Ų | 248 | 134.7 Ų | 134.7 | 94% | 0.936 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -86.1 | 45.1 | -177.9 | -161.2 | 178.3 | 169.9 | -176.5 | -3.9 | 110.4 | ||
| 934 | D | 28.9 | Very low | 39.5 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | trans | -121.5 | 113.7 | 172.9 | -74.3 | -37.7 | 0 | 0 | 0 | 109.4 | S932 T936 | S932-D934 PolarHBondContact O-N 3.43Å; S932-D934 VanDerWaalsContact O-N 3.14Å; D934-T936 PolarHBondContact O-N 3.42Å; D934-T936 VanDerWaalsContact O-N 3.08Å | ||
| 935 | G | 31.7 | Very low | 42.5 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 94% | 0.938 | 62% | 0.62 | S | S | * | * | trans | -77.9 | 28.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 936 | T | 38.4 | Very low | 45.6 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | trans | -97 | 114.1 | 177.1 | 40.3 | 0 | 0 | 0 | 0 | 110 | D934 R938 | D934-T936 PolarHBondContact O-N 3.42Å; D934-T936 VanDerWaalsContact O-N 3.08Å; T936-R938 PolarHBondContact O-N 3.06Å | ||
| 937 | V | 42 | Very low | 48.4 | Very low | 101 Ų | 101 | 109.2 Ų | 109.2 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | trans | -67.2 | 114.9 | 169.2 | 179 | 0 | 0 | 0 | 0 | 107.1 | Q941 V942 | V937-Q941 HydrophobicContact CG1-CB 4.05Å; V937-V942 HydrophobicContact CG1-CG2 3.92Å | ||
| 938 | R | 51.3 | Low | 51.5 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | trans | -54.9 | 138.6 | 174 | -72.6 | -157.9 | -179.2 | -177 | -0.1 | 110 | E814 T936 S940 Q941 | E814-R938 WeakPolarHBondContact OE1-CA 3.34Å; E814-R938 WeakPolarHBondContact OE1-CB 3.28Å; E814-R938 VanDerWaalsContact OE1-CD 3.23Å; E814-R938 WeakPolarHBondContact OE1-CD 3.25Å; E814-R938 WeakPolarHBondContact OE1-CG 3.22Å; T936-R938 PolarHBondContact O-N 3.06Å; R938-S940 WeakPolarHBondContact CB-OG 3.43Å; R938-S940 PolarHBondContact O-N 3.15Å; R938-S940 VanDerWaalsContact O-N 3.13Å; R938-Q941 HydrophobicContact CB-CG 4.3Å; R938-Q941 WeakPolarHBondContact O-CB 3.3Å; R938-Q941 PolarHBondContact O-N 2.91Å | ||
| 939 | L | 53.6 | Low | 54.6 | Low | 10 Ų | 10 | 91 Ų | 91 | 5% | 0.052 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -60 | -26.7 | 177 | -106 | 134.9 | 0 | 0 | 0 | 110.8 | E810 L811 E814 Q941 V942 Y1064 | E810-L939 HydrophobicContact CB-CD1 3.8Å; E810-L939 HydrophobicContact CG-CD1 4.45Å; E810-L939 WeakPolarHBondContact OE2-CD1 3.47Å; L811-L939 HydrophobicContact CD2-CB 3.96Å; E814-L939 WeakPolarHBondContact OE2-CB 3.31Å; E814-L939 PolarHBondContact OE2-N 3.03Å; E814-L939 VanDerWaalsContact OE2-N 3.1Å; L939-Q941 PolarHBondContact O-N 3.03Å; L939-Q941 VanDerWaalsContact O-N 3.11Å; L939-V942 PolarHBondContact O-N 3.49Å; L939-V942 VanDerWaalsContact O-N 3.17Å; L939-Y1064 HydrophobicContact CD1-CE1 4.03Å; L939-Y1064 WeakPolarHBondContact CD1-OH 3.48Å |
| 940 | S | 52.6 | Low | 57.8 | Low | 19 Ų | 19 | 82.4 Ų | 82.4 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -58.4 | -18.5 | 170.9 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | E851 R938 R951 | E851-S940 WeakPolarHBondContact OE2-CB 3.22Å; R938-S940 WeakPolarHBondContact CB-OG 3.43Å; R938-S940 PolarHBondContact O-N 3.15Å; R938-S940 VanDerWaalsContact O-N 3.13Å; S940-R951 PolarHBondContact O-NH2 3.37Å |
| 941 | Q | 54 | Low | 60.6 | Low | 142 Ų | 142 | 73.8 Ų | 73.8 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -102.7 | -2.5 | -179.7 | -63.2 | 178.7 | -6.4 | 0 | 0 | 113.9 | V937 R938 L939 | V937-Q941 HydrophobicContact CG1-CB 4.05Å; R938-Q941 HydrophobicContact CB-CG 4.3Å; R938-Q941 WeakPolarHBondContact O-CB 3.3Å; R938-Q941 PolarHBondContact O-N 2.91Å; L939-Q941 PolarHBondContact O-N 3.03Å; L939-Q941 VanDerWaalsContact O-N 3.11Å |
| 942 | V | 54.3 | Low | 63.5 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -91.3 | 125.3 | -176.7 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | V937 L939 N944 | V937-V942 HydrophobicContact CG1-CG2 3.92Å; L939-V942 PolarHBondContact O-N 3.49Å; L939-V942 VanDerWaalsContact O-N 3.17Å; V942-N944 HydrophobicContact CG1-CB 4.47Å; V942-N944 PolarHBondContact O-N 3.46Å | ||
| 943 | S | 63.7 | Low | 66.5 | Low | 105 Ų | 105 | 57.5 Ų | 57.5 | 73% | 0.734 | 32% | 0.315 | S | S | * | . | trans | -75.9 | 91.1 | 173.1 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 944 | N | 82 | Confident | 69.3 | Low | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | trans | -121.5 | 137.1 | 177.6 | 177.5 | -15.7 | 0 | 0 | 0 | 109.4 | V942 Y946 V947 T948 Y1068 | V942-N944 HydrophobicContact CG1-CB 4.47Å; V942-N944 PolarHBondContact O-N 3.46Å; N944-Y946 VanDerWaalsContact C-N 3.31Å; N944-Y946 PolarHBondContact O-N 3.28Å; N944-Y946 WeakPolarHBondContact OD1-CD2 3.17Å; N944-Y946 PolarHBondContact OD1-N 3.46Å; N944-V947 HydrophobicContact CB-CB 4.14Å; N944-V947 HydrophobicContact CB-CG2 3.86Å; N944-V947 PolarHBondContact O-N 3.31Å; N944-T948 PolarHBondContact O-N 3.03Å; N944-T948 PolarHBondContact O-OG1 3.42Å; N944-Y1068 WeakPolarHBondContact ND2-CE1 3.5Å | ||
| 945 | V | 90.2 | Very high | 72.1 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.4 | -47.9 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | H767 M771 F796 V947 T948 V949 | H767-V945 HydrophobicContact CB-CG1 4.26Å; H767-V945 HydrophobicContact CB-CG2 4.39Å; M771-V945 HydrophobicContact CG-CB 4.47Å; M771-V945 HydrophobicContact CG-CG1 3.98Å; M771-V945 HydrophobicContact CG-CG2 3.98Å; M771-V945 HydrophobicContact SD-CB 4.19Å; M771-V945 HydrophobicContact SD-CG1 3.94Å; M771-V945 HydrophobicContact SD-CG2 4.09Å; F796-V945 HydrophobicContact CZ-CG1 4.06Å; V945-V947 PolarHBondContact O-N 3.42Å; V945-T948 PolarHBondContact O-N 3.37Å; V945-T948 VanDerWaalsContact O-N 3.16Å; V945-V949 HydrophobicContact CG1-CG2 4.4Å; V945-V949 WeakPolarHBondContact O-CG2 3.26Å; V945-V949 PolarHBondContact O-N 2.94Å |
| 946 | Y | 92.5 | Very high | 74.9 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | -178.3 | -53.4 | -64 | 0 | 0 | 0 | 112.1 | H767 F796 F800 Q803 F804 I807 N944 T948 V949 W950 | H767-Y946 AromaticContact CE1-CZ 3.88Å; H767-Y946 PolarHBondContact CE1-OH 3.44Å; H767-Y946 AromaticContact NE2-CE1 3.71Å; H767-Y946 AromaticContact NE2-CZ 3.53Å; H767-Y946 PolarHBondContact NE2-OH 3.03Å; H767-Y946 VanDerWaalsContact NE2-OH 3.09Å; F796-Y946 HydrophobicContact CE1-CD1 4.02Å; F796-Y946 HydrophobicContact CE1-CE1 4.31Å; F796-Y946 HydrophobicContact CZ-CD1 4.32Å; F796-Y946 HydrophobicContact CZ-CE1 4.21Å; F800-Y946 HydrophobicContact CB-CD1 4.31Å; F800-Y946 HydrophobicContact CB-CE1 3.79Å; F800-Y946 HydrophobicContact CD1-CE1 4.06Å; F800-Y946 HydrophobicContact CD2-CE1 4.13Å; F800-Y946 AromaticContact CG-CE1 3.73Å; F800-Y946 HydrophobicContact CG-CE1 3.73Å; Q803-Y946 HydrophobicContact CB-CD1 4.21Å; Q803-Y946 HydrophobicContact CB-CD2 4.25Å; Q803-Y946 HydrophobicContact CB-CE1 4.19Å; Q803-Y946 HydrophobicContact CB-CE2 4.24Å; Q803-Y946 HydrophobicContact CB-CG 4.25Å; Q803-Y946 HydrophobicContact CG-CE1 4.35Å; Q803-Y946 HydrophobicContact CG-CE2 4.07Å; F804-Y946 VanDerWaalsContact CE1-O 3.29Å; F804-Y946 WeakPolarHBondContact CE1-O 3.41Å; F804-Y946 AromaticContact CE2-CD1 3.96Å; F804-Y946 HydrophobicContact CE2-CD1 3.96Å; F804-Y946 HydrophobicContact CZ-CD1 4.23Å; I807-Y946 HydrophobicContact CD1-CD2 4.09Å; I807-Y946 HydrophobicContact CD1-CG 3.99Å; N944-Y946 VanDerWaalsContact C-N 3.31Å; N944-Y946 PolarHBondContact O-N 3.28Å; N944-Y946 WeakPolarHBondContact OD1-CD2 3.17Å; N944-Y946 PolarHBondContact OD1-N 3.46Å; Y946-T948 VanDerWaalsContact C-N 3.3Å; Y946-T948 PolarHBondContact O-N 3.29Å; Y946-V949 PolarHBondContact O-N 3.33Å; Y946-W950 VanDerWaalsContact O-CB 3.29Å; Y946-W950 WeakPolarHBondContact O-CB 3.22Å; Y946-W950 PolarHBondContact O-N 3.49Å |
| 947 | V | 88.3 | Confident | 77.3 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | I807 N944 V945 W950 R951 | I807-V947 HydrophobicContact CD1-CG2 4.22Å; I807-V947 HydrophobicContact CG2-CG2 3.92Å; N944-V947 HydrophobicContact CB-CB 4.14Å; N944-V947 HydrophobicContact CB-CG2 3.86Å; N944-V947 PolarHBondContact O-N 3.31Å; V945-V947 PolarHBondContact O-N 3.42Å; V947-W950 PolarHBondContact O-N 2.94Å; V947-R951 VanDerWaalsContact CG1-CZ 3.44Å; V947-R951 WeakPolarHBondContact O-CB 3.45Å; V947-R951 VanDerWaalsContact O-CG 3.23Å; V947-R951 WeakPolarHBondContact O-CG 3.34Å; V947-R951 PolarHBondContact O-N 3.09Å |
| 948 | T | 90.3 | Very high | 79.3 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.6 | -43.3 | -179.8 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | M771 V774 N944 V945 Y946 R951 A952 | M771-T948 HydrophobicContact CE-CG2 3.95Å; M771-T948 HydrophobicContact SD-CG2 4.2Å; V774-T948 HydrophobicContact CG1-CG2 4.04Å; N944-T948 PolarHBondContact O-N 3.03Å; N944-T948 PolarHBondContact O-OG1 3.42Å; V945-T948 PolarHBondContact O-N 3.37Å; V945-T948 VanDerWaalsContact O-N 3.16Å; Y946-T948 VanDerWaalsContact C-N 3.3Å; Y946-T948 PolarHBondContact O-N 3.29Å; T948-R951 WeakPolarHBondContact O-CB 3.45Å; T948-R951 PolarHBondContact O-N 3.17Å; T948-A952 PolarHBondContact O-N 3.4Å |
| 949 | V | 92.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | A770 V774 F793 F796 F804 V945 Y946 R951 A952 V953 | A770-V949 HydrophobicContact CB-CG2 3.92Å; V774-V949 HydrophobicContact CG2-CG2 4.18Å; F793-V949 HydrophobicContact CB-CG1 4.33Å; F793-V949 HydrophobicContact CD1-CG1 3.83Å; F793-V949 HydrophobicContact CE1-CG1 4.45Å; F793-V949 HydrophobicContact CG-CG1 4.19Å; F796-V949 HydrophobicContact CD1-CG1 4.04Å; F796-V949 HydrophobicContact CD1-CG2 4.3Å; F796-V949 HydrophobicContact CE1-CB 4.43Å; F796-V949 HydrophobicContact CE1-CG1 4.44Å; F796-V949 HydrophobicContact CE1-CG2 4.03Å; F804-V949 HydrophobicContact CE1-CB 4.29Å; F804-V949 HydrophobicContact CE1-CG1 4.22Å; F804-V949 HydrophobicContact CZ-CB 4Å; F804-V949 HydrophobicContact CZ-CG1 3.83Å; V945-V949 HydrophobicContact CG1-CG2 4.4Å; V945-V949 WeakPolarHBondContact O-CG2 3.26Å; V945-V949 PolarHBondContact O-N 2.94Å; Y946-V949 PolarHBondContact O-N 3.33Å; V949-R951 VanDerWaalsContact C-N 3.31Å; V949-R951 PolarHBondContact O-N 3.26Å; V949-A952 WeakPolarHBondContact O-CB 3.42Å; V949-A952 PolarHBondContact O-N 3.17Å; V949-A952 VanDerWaalsContact O-N 3.15Å; V949-V953 WeakPolarHBondContact O-CG2 3.48Å; V949-V953 PolarHBondContact O-N 2.94Å |
| 950 | W | 92.2 | Very high | 82.9 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.4 | -170.6 | -114.2 | 0 | 0 | 0 | 111.9 | I797 F804 V808 Y946 V947 A952 V953 L954 I972 V975 | I797-W950 HydrophobicContact CD1-CE3 4.35Å; I797-W950 HydrophobicContact CD1-CZ3 4.34Å; F804-W950 HydrophobicContact CD1-CB 4.26Å; F804-W950 HydrophobicContact CD1-CD2 4.43Å; F804-W950 AromaticContact CD1-CE3 3.83Å; F804-W950 HydrophobicContact CD1-CE3 3.83Å; F804-W950 HydrophobicContact CE1-CB 4.03Å; F804-W950 HydrophobicContact CE1-CE3 4.25Å; V808-W950 HydrophobicContact CG1-CZ2 4.4Å; V808-W950 HydrophobicContact CG2-CD2 3.88Å; V808-W950 HydrophobicContact CG2-CE3 4.39Å; V808-W950 HydrophobicContact CG2-CG 4.42Å; V808-W950 HydrophobicContact CG2-CH2 4.04Å; V808-W950 HydrophobicContact CG2-CZ2 3.46Å; V808-W950 VanDerWaalsContact CG2-CZ2 3.46Å; V808-W950 HydrophobicContact CG2-CZ3 4.47Å; Y946-W950 VanDerWaalsContact O-CB 3.29Å; Y946-W950 WeakPolarHBondContact O-CB 3.22Å; Y946-W950 PolarHBondContact O-N 3.49Å; V947-W950 PolarHBondContact O-N 2.94Å; W950-A952 PolarHBondContact O-N 3.03Å; W950-V953 PolarHBondContact O-N 3.49Å; W950-L954 WeakPolarHBondContact O-CG 3.36Å; W950-L954 PolarHBondContact O-N 2.93Å; W950-I972 HydrophobicContact CH2-CB 4.44Å; W950-I972 HydrophobicContact CH2-CG1 3.89Å; W950-I972 HydrophobicContact CZ2-CG1 4.28Å; W950-V975 HydrophobicContact CH2-CB 3.74Å; W950-V975 HydrophobicContact CH2-CG1 3.83Å; W950-V975 HydrophobicContact CH2-CG2 4.02Å; W950-V975 HydrophobicContact CZ3-CB 4.04Å; W950-V975 HydrophobicContact CZ3-CG1 4.1Å; W950-V975 HydrophobicContact CZ3-CG2 3.81Å |
| 951 | R | 86.2 | Confident | 84.7 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 6% | 0.057 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 172.7 | -78.2 | 173.2 | -179 | 155.7 | 2.8 | 112.9 | S940 V947 T948 V949 V953 L954 R955 | S940-R951 PolarHBondContact O-NH2 3.37Å; V947-R951 VanDerWaalsContact CG1-CZ 3.44Å; V947-R951 WeakPolarHBondContact O-CB 3.45Å; V947-R951 VanDerWaalsContact O-CG 3.23Å; V947-R951 WeakPolarHBondContact O-CG 3.34Å; V947-R951 PolarHBondContact O-N 3.09Å; T948-R951 WeakPolarHBondContact O-CB 3.45Å; T948-R951 PolarHBondContact O-N 3.17Å; V949-R951 VanDerWaalsContact C-N 3.31Å; V949-R951 PolarHBondContact O-N 3.26Å; R951-V953 VanDerWaalsContact C-N 3.33Å; R951-V953 PolarHBondContact O-N 3.43Å; R951-L954 PolarHBondContact O-N 2.96Å; R951-R955 PolarHBondContact O-N 2.75Å |
| 952 | A | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V774 F793 T948 V949 W950 R955 F956 | V774-A952 HydrophobicContact CG1-CB 4.2Å; V774-A952 HydrophobicContact CG2-CB 3.85Å; F793-A952 HydrophobicContact CE2-CB 4.22Å; F793-A952 HydrophobicContact CZ-CB 4.5Å; T948-A952 PolarHBondContact O-N 3.4Å; V949-A952 WeakPolarHBondContact O-CB 3.42Å; V949-A952 PolarHBondContact O-N 3.17Å; V949-A952 VanDerWaalsContact O-N 3.15Å; W950-A952 PolarHBondContact O-N 3.03Å; A952-R955 WeakPolarHBondContact O-CB 3.24Å; A952-R955 PolarHBondContact O-N 3.2Å; A952-F956 VanDerWaalsContact O-CD2 3.29Å; A952-F956 WeakPolarHBondContact O-CD2 3.22Å; A952-F956 PolarHBondContact O-N 3.01Å |
| 953 | V | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 176 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | L790 F793 I797 V949 W950 R951 R955 F956 L971 I972 | L790-V953 HydrophobicContact CD1-CG1 4.28Å; L790-V953 HydrophobicContact CD1-CG2 4.31Å; F793-V953 HydrophobicContact CB-CG2 3.99Å; F793-V953 HydrophobicContact CD2-CG2 4.38Å; F793-V953 HydrophobicContact CG-CG2 4.44Å; I797-V953 HydrophobicContact CD1-CG2 3.91Å; V949-V953 WeakPolarHBondContact O-CG2 3.48Å; V949-V953 PolarHBondContact O-N 2.94Å; W950-V953 PolarHBondContact O-N 3.49Å; R951-V953 VanDerWaalsContact C-N 3.33Å; R951-V953 PolarHBondContact O-N 3.43Å; V953-R955 VanDerWaalsContact C-N 3.29Å; V953-R955 PolarHBondContact O-N 2.98Å; V953-F956 PolarHBondContact O-N 3.4Å; V953-F956 VanDerWaalsContact O-N 3.16Å; V953-L971 HydrophobicContact CG1-CD2 4Å; V953-L971 HydrophobicContact CG1-CG 4.47Å; V953-L971 HydrophobicContact CG2-CD2 4.29Å; V953-I972 HydrophobicContact CG1-CD1 4.24Å; V953-I972 HydrophobicContact CG1-CG1 4.03Å |
| 954 | L | 89.2 | Confident | 89.1 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.2 | -36.8 | 175.9 | -70.2 | 169.5 | 0 | 0 | 0 | 112.2 | V845 L848 W950 R951 F956 T957 I972 | V845-L954 HydrophobicContact CB-CD2 4.39Å; V845-L954 HydrophobicContact CG1-CD2 3.86Å; V845-L954 HydrophobicContact CG2-CD2 4.21Å; L848-L954 HydrophobicContact CB-CD1 3.73Å; W950-L954 WeakPolarHBondContact O-CG 3.36Å; W950-L954 PolarHBondContact O-N 2.93Å; R951-L954 PolarHBondContact O-N 2.96Å; L954-F956 VanDerWaalsContact C-N 3.27Å; L954-F956 PolarHBondContact O-N 3.37Å; L954-T957 WeakPolarHBondContact O-CB 3.4Å; L954-T957 PolarHBondContact O-N 3.36Å; L954-T957 VanDerWaalsContact O-N 3.09Å; L954-T957 PolarHBondContact O-OG1 3.38Å; L954-I972 HydrophobicContact CD2-CD1 3.89Å |
| 955 | R | 86.5 | Confident | 89.6 | Confident | 39 Ų | 39 | 17.8 Ų | 17.8 | 15% | 0.147 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | 175.4 | -177.4 | -178.4 | 178.3 | 156.1 | 2.3 | 112.2 | R951 A952 V953 T957 T958 E1314 | R951-R955 PolarHBondContact O-N 2.75Å; A952-R955 WeakPolarHBondContact O-CB 3.24Å; A952-R955 PolarHBondContact O-N 3.2Å; V953-R955 VanDerWaalsContact C-N 3.29Å; V953-R955 PolarHBondContact O-N 2.98Å; R955-T957 PolarHBondContact O-N 3.43Å; R955-T958 PolarHBondContact O-N 2.97Å; R955-T958 PolarHBondContact O-OG1 3.3Å; R955-E1314 IonicContact CZ-OE1 3.44Å; R955-E1314 IonicContact NH1-OE1 2.87Å; R955-E1314 PolarHBondContact NH1-OE1 3.37Å; R955-E1314 IonicContact NH2-OE1 2.96Å; R955-E1314 PolarHBondContact NH2-OE1 2.95Å |
| 956 | F | 91.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -69.6 | -12.3 | 178.2 | -64.5 | -52.8 | 0 | 0 | 0 | 113.8 | C778 R786 L790 F793 A952 V953 L954 T958 D959 V964 C965 A968 | C778-F956 HydrophobicContact CB-CZ 4.48Å; R786-F956 HydrophobicContact CB-CD1 4.47Å; R786-F956 HydrophobicContact CB-CE1 3.85Å; R786-F956 HydrophobicContact CG-CE1 4.07Å; L790-F956 HydrophobicContact CB-CD2 4.34Å; L790-F956 HydrophobicContact CB-CE2 4.42Å; L790-F956 HydrophobicContact CD1-CD2 3.9Å; F793-F956 AromaticContact CD2-CE2 3.99Å; F793-F956 HydrophobicContact CD2-CE2 3.99Å; F793-F956 AromaticContact CE2-CE2 3.89Å; F793-F956 HydrophobicContact CE2-CE2 3.89Å; F793-F956 HydrophobicContact CE2-CZ 4.47Å; A952-F956 VanDerWaalsContact O-CD2 3.29Å; A952-F956 WeakPolarHBondContact O-CD2 3.22Å; A952-F956 PolarHBondContact O-N 3.01Å; V953-F956 PolarHBondContact O-N 3.4Å; V953-F956 VanDerWaalsContact O-N 3.16Å; L954-F956 VanDerWaalsContact C-N 3.27Å; L954-F956 PolarHBondContact O-N 3.37Å; F956-T958 PolarHBondContact O-N 2.76Å; F956-D959 VanDerWaalsContact O-CB 3.29Å; F956-D959 WeakPolarHBondContact O-CB 3.45Å; F956-D959 PolarHBondContact O-N 3.47Å; F956-V964 HydrophobicContact CB-CG1 3.97Å; F956-V964 HydrophobicContact CD1-CG1 3.82Å; F956-V964 HydrophobicContact CG-CG1 4.12Å; F956-C965 WeakPolarHBondContact O-CA 3.47Å; F956-A968 HydrophobicContact CB-CB 3.61Å |
| 957 | T | 88.9 | Confident | 89.6 | Confident | 9 Ų | 9 | 20.8 Ų | 20.8 | 6% | 0.055 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -69.1 | -22.2 | 174.7 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | R849 L954 R955 C965 A968 I972 | R849-T957 PolarHBondContact NE-OG1 3.12Å; R849-T957 PolarHBondContact NH2-OG1 2.92Å; L954-T957 WeakPolarHBondContact O-CB 3.4Å; L954-T957 PolarHBondContact O-N 3.36Å; L954-T957 VanDerWaalsContact O-N 3.09Å; L954-T957 PolarHBondContact O-OG1 3.38Å; R955-T957 PolarHBondContact O-N 3.43Å; T957-C965 PolarHBondContact O-SG 2.8Å; T957-A968 HydrophobicContact CG2-CB 4.17Å; T957-I972 HydrophobicContact CG2-CD1 3.08Å |
| 958 | T | 84.6 | Confident | 89.8 | Confident | 64 Ų | 64 | 20.7 Ų | 20.7 | 39% | 0.393 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -110.9 | 24.4 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | R849 R955 F956 | R849-T958 VanDerWaalsContact NE-CG2 3.32Å; R955-T958 PolarHBondContact O-N 2.97Å; R955-T958 PolarHBondContact O-OG1 3.3Å; F956-T958 PolarHBondContact O-N 2.76Å |
| 959 | D | 90.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 6% | 0.059 | 13% | 0.13 | C | C | . | . | trans | -65.6 | 134.4 | 174.6 | -159.5 | -71.9 | 0 | 0 | 0 | 109.6 | R786 F956 D961 V964 | R786-D959 IonicContact CZ-OD1 3.11Å; R786-D959 IonicContact CZ-OD2 3.28Å; R786-D959 IonicContact NE-OD1 2.71Å; R786-D959 IonicContact NE-OD2 2.74Å; R786-D959 PolarHBondContact NE-OD2 3.19Å; R786-D959 IonicContact NH2-OD1 3.94Å; R786-D959 PolarHBondContact NH2-OD1 3.26Å; R786-D959 IonicContact NH2-OD2 3.11Å; R786-D959 PolarHBondContact NH2-OD2 3.44Å; F956-D959 VanDerWaalsContact O-CB 3.29Å; F956-D959 WeakPolarHBondContact O-CB 3.45Å; F956-D959 PolarHBondContact O-N 3.47Å; D959-D961 PolarHBondContact O-N 3.4Å; D959-D961 WeakPolarHBondContact OD1-CB 3.48Å; D959-D961 PolarHBondContact OD1-N 2.9Å; D959-V964 HydrophobicContact CB-CB 3.88Å; D959-V964 HydrophobicContact CB-CG1 3.63Å; D959-V964 VanDerWaalsContact CG-CG1 3.49Å; D959-V964 WeakPolarHBondContact OD2-CG1 3.45Å | ||
| 960 | P | 89.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -71.4 | -16.2 | 180 | 31.5 | -38.8 | 0 | 0 | 0 | 113 | V1280 A1309 I1311 | P960-V1280 HydrophobicContact CB-CG1 3.47Å; P960-V1280 VanDerWaalsContact CB-CG1 3.47Å; P960-V1280 HydrophobicContact CG-CG1 4Å; P960-A1309 HydrophobicContact CB-CB 3.9Å; P960-A1309 HydrophobicContact CG-CB 3.92Å; P960-I1311 HydrophobicContact CG-CG1 4.32Å |
| 961 | D | 89 | Confident | 90 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -79.7 | 117 | 166.4 | -178.9 | -74.9 | 0 | 0 | 0 | 109.8 | A783 R787 D959 T963 V964 C965 | A783-D961 HydrophobicContact CB-CB 3.91Å; A783-D961 WeakPolarHBondContact CB-OD2 3.42Å; R787-D961 IonicContact CZ-OD2 3.69Å; R787-D961 IonicContact NE-OD1 3.14Å; R787-D961 IonicContact NH2-OD1 3.36Å; R787-D961 PolarHBondContact NH2-OD1 2.9Å; R787-D961 IonicContact NH2-OD2 3.59Å; R787-D961 PolarHBondContact NH2-OD2 3.46Å; D959-D961 PolarHBondContact O-N 3.4Å; D959-D961 WeakPolarHBondContact OD1-CB 3.48Å; D959-D961 PolarHBondContact OD1-N 2.9Å; D961-T963 PolarHBondContact O-N 3.31Å; D961-T963 WeakPolarHBondContact OD1-CA 3.4Å; D961-T963 WeakPolarHBondContact OD1-CB 3.3Å; D961-T963 PolarHBondContact OD1-N 3.27Å; D961-T963 PolarHBondContact OD1-OG1 2.89Å; D961-V964 HydrophobicContact CB-CB 4.3Å; D961-V964 HydrophobicContact CB-CG2 3.99Å; D961-V964 PolarHBondContact O-N 3.35Å; D961-V964 PolarHBondContact OD1-N 3.26Å; D961-C965 PolarHBondContact O-N 3.47Å |
| 962 | S | 86.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 43% | 0.427 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.5 | -30.4 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | Q966 | S962-Q966 WeakPolarHBondContact O-CB 3.36Å; S962-Q966 WeakPolarHBondContact O-CG 3.35Å; S962-Q966 PolarHBondContact O-N 3.12Å |
| 963 | T | 88.2 | Confident | 90.2 | Very high | 52 Ų | 52 | 31.9 Ų | 31.9 | 32% | 0.319 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74 | -40.6 | -179.9 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | R787 D961 Q966 M967 | R787-T963 PolarHBondContact NE-OG1 2.86Å; R787-T963 PolarHBondContact NH2-OG1 3.38Å; D961-T963 PolarHBondContact O-N 3.31Å; D961-T963 WeakPolarHBondContact OD1-CA 3.4Å; D961-T963 WeakPolarHBondContact OD1-CB 3.3Å; D961-T963 PolarHBondContact OD1-N 3.27Å; D961-T963 PolarHBondContact OD1-OG1 2.89Å; T963-Q966 PolarHBondContact O-N 3Å; T963-M967 WeakPolarHBondContact O-CB 3.24Å; T963-M967 VanDerWaalsContact O-CG 3.25Å; T963-M967 WeakPolarHBondContact O-CG 3.23Å; T963-M967 PolarHBondContact O-N 3.27Å |
| 964 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | R786 R787 F956 D959 D961 Q966 M967 A968 | R786-V964 HydrophobicContact CB-CG1 4.49Å; R786-V964 HydrophobicContact CB-CG2 4.36Å; R787-V964 HydrophobicContact CG-CG2 3.48Å; R787-V964 VanDerWaalsContact CG-CG2 3.48Å; F956-V964 HydrophobicContact CB-CG1 3.97Å; F956-V964 HydrophobicContact CD1-CG1 3.82Å; F956-V964 HydrophobicContact CG-CG1 4.12Å; D959-V964 HydrophobicContact CB-CB 3.88Å; D959-V964 HydrophobicContact CB-CG1 3.63Å; D959-V964 VanDerWaalsContact CG-CG1 3.49Å; D959-V964 WeakPolarHBondContact OD2-CG1 3.45Å; D961-V964 HydrophobicContact CB-CB 4.3Å; D961-V964 HydrophobicContact CB-CG2 3.99Å; D961-V964 PolarHBondContact O-N 3.35Å; D961-V964 PolarHBondContact OD1-N 3.26Å; V964-Q966 PolarHBondContact O-N 3.41Å; V964-M967 PolarHBondContact O-N 3.49Å; V964-A968 WeakPolarHBondContact O-CB 3.31Å; V964-A968 PolarHBondContact O-N 3.15Å |
| 965 | C | 91.2 | Very high | 90.3 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | F956 T957 D961 M967 A968 N969 | F956-C965 WeakPolarHBondContact O-CA 3.47Å; T957-C965 PolarHBondContact O-SG 2.8Å; D961-C965 PolarHBondContact O-N 3.47Å; C965-M967 PolarHBondContact O-N 3.02Å; C965-A968 PolarHBondContact O-N 2.94Å; C965-N969 WeakPolarHBondContact O-CB 3.37Å; C965-N969 PolarHBondContact O-N 3.33Å; C965-N969 PolarHBondContact O-ND2 2.7Å; C965-N969 VanDerWaalsContact O-ND2 3.08Å; C965-N969 PolarHBondContact SG-ND2 3.23Å |
| 966 | Q | 90.8 | Very high | 90.4 | Very high | 101 Ų | 101 | 32.9 Ų | 32.9 | 47% | 0.472 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 179 | -74.3 | 171.1 | 34.5 | 0 | 0 | 112.6 | S962 T963 V964 A968 N969 R970 | S962-Q966 WeakPolarHBondContact O-CB 3.36Å; S962-Q966 WeakPolarHBondContact O-CG 3.35Å; S962-Q966 PolarHBondContact O-N 3.12Å; T963-Q966 PolarHBondContact O-N 3Å; V964-Q966 PolarHBondContact O-N 3.41Å; Q966-A968 VanDerWaalsContact C-N 3.34Å; Q966-N969 PolarHBondContact O-N 3.26Å; Q966-R970 WeakPolarHBondContact O-CG 3.41Å; Q966-R970 PolarHBondContact O-N 3.14Å |
| 967 | M | 92.2 | Very high | 90.3 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.7 | -72.4 | 172.5 | 67.6 | 0 | 0 | 111 | R787 L790 V791 T963 V964 C965 R970 L971 L1132 T1134 | R787-M967 HydrophobicContact CB-SD 4.42Å; R787-M967 HydrophobicContact CG-SD 4.23Å; L790-M967 HydrophobicContact CD2-CB 3.44Å; L790-M967 VanDerWaalsContact CD2-CB 3.44Å; L790-M967 HydrophobicContact CD2-CE 4.49Å; V791-M967 HydrophobicContact CG2-CE 3.56Å; T963-M967 WeakPolarHBondContact O-CB 3.24Å; T963-M967 VanDerWaalsContact O-CG 3.25Å; T963-M967 WeakPolarHBondContact O-CG 3.23Å; T963-M967 PolarHBondContact O-N 3.27Å; V964-M967 PolarHBondContact O-N 3.49Å; C965-M967 PolarHBondContact O-N 3.02Å; M967-R970 PolarHBondContact O-N 3.38Å; M967-L971 PolarHBondContact O-N 3.43Å; M967-L971 VanDerWaalsContact O-N 3.08Å; M967-L1132 HydrophobicContact CB-CD1 4.29Å; M967-L1132 HydrophobicContact CB-CD2 4.07Å; M967-L1132 HydrophobicContact CG-CD2 4.27Å; M967-T1134 HydrophobicContact CE-CG2 3.75Å; M967-T1134 HydrophobicContact SD-CG2 4.48Å |
| 968 | A | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | L790 F956 T957 V964 C965 Q966 R970 L971 I972 | L790-A968 HydrophobicContact CD1-CB 4.42Å; L790-A968 HydrophobicContact CD2-CB 3.95Å; F956-A968 HydrophobicContact CB-CB 3.61Å; T957-A968 HydrophobicContact CG2-CB 4.17Å; V964-A968 WeakPolarHBondContact O-CB 3.31Å; V964-A968 PolarHBondContact O-N 3.15Å; C965-A968 PolarHBondContact O-N 2.94Å; Q966-A968 VanDerWaalsContact C-N 3.34Å; A968-R970 VanDerWaalsContact C-N 3.34Å; A968-R970 PolarHBondContact O-N 3.05Å; A968-L971 PolarHBondContact O-N 3.29Å; A968-I972 WeakPolarHBondContact O-CG1 3.46Å; A968-I972 PolarHBondContact O-N 3.37Å |
| 969 | N | 92.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 176.8 | -76.6 | -43.2 | 0 | 0 | 0 | 112.6 | C965 Q966 I972 G973 | C965-N969 WeakPolarHBondContact O-CB 3.37Å; C965-N969 PolarHBondContact O-N 3.33Å; C965-N969 PolarHBondContact O-ND2 2.7Å; C965-N969 VanDerWaalsContact O-ND2 3.08Å; C965-N969 PolarHBondContact SG-ND2 3.23Å; Q966-N969 PolarHBondContact O-N 3.26Å; N969-I972 PolarHBondContact O-N 3.19Å; N969-G973 PolarHBondContact O-N 3.28Å |
| 970 | R | 92.5 | Very high | 90.1 | Very high | 155 Ų | 155 | 40.7 Ų | 40.7 | 59% | 0.585 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.6 | -42.8 | 173.4 | -75 | 177.4 | -171.6 | 175.4 | 6.7 | 112.3 | Q966 M967 A968 G973 Y974 L1132 | Q966-R970 WeakPolarHBondContact O-CG 3.41Å; Q966-R970 PolarHBondContact O-N 3.14Å; M967-R970 PolarHBondContact O-N 3.38Å; A968-R970 VanDerWaalsContact C-N 3.34Å; A968-R970 PolarHBondContact O-N 3.05Å; R970-G973 PolarHBondContact O-N 3.31Å; R970-Y974 PolarHBondContact O-N 2.9Å; R970-L1132 HydrophobicContact CB-CD2 4.14Å |
| 971 | L | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 178 | -177 | 56.7 | 0 | 0 | 0 | 112 | L790 H794 I797 V953 M967 A968 Y974 V975 L1132 | L790-L971 HydrophobicContact CD1-CD2 3.97Å; H794-L971 HydrophobicContact CB-CD1 4.19Å; H794-L971 HydrophobicContact CB-CD2 4.11Å; H794-L971 WeakPolarHBondContact ND1-CD1 3.44Å; I797-L971 HydrophobicContact CD1-CD1 4.46Å; I797-L971 HydrophobicContact CD1-CD2 3.78Å; I797-L971 HydrophobicContact CD1-CG 4.2Å; I797-L971 HydrophobicContact CG2-CD1 4.49Å; V953-L971 HydrophobicContact CG1-CD2 4Å; V953-L971 HydrophobicContact CG1-CG 4.47Å; V953-L971 HydrophobicContact CG2-CD2 4.29Å; M967-L971 PolarHBondContact O-N 3.43Å; M967-L971 VanDerWaalsContact O-N 3.08Å; A968-L971 PolarHBondContact O-N 3.29Å; L971-Y974 WeakPolarHBondContact O-CB 3.36Å; L971-Y974 PolarHBondContact O-N 2.98Å; L971-V975 PolarHBondContact O-N 3.36Å; L971-L1132 HydrophobicContact CB-CD1 3.91Å; L971-L1132 HydrophobicContact CD2-CD1 4.2Å |
| 972 | I | 90.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.3 | -73.7 | 164.1 | 0 | 0 | 0 | 110.9 | V845 W950 V953 L954 T957 A968 N969 Y974 V975 N976 | V845-I972 HydrophobicContact CG2-CG2 4.46Å; W950-I972 HydrophobicContact CH2-CB 4.44Å; W950-I972 HydrophobicContact CH2-CG1 3.89Å; W950-I972 HydrophobicContact CZ2-CG1 4.28Å; V953-I972 HydrophobicContact CG1-CD1 4.24Å; V953-I972 HydrophobicContact CG1-CG1 4.03Å; L954-I972 HydrophobicContact CD2-CD1 3.89Å; T957-I972 HydrophobicContact CG2-CD1 3.08Å; A968-I972 WeakPolarHBondContact O-CG1 3.46Å; A968-I972 PolarHBondContact O-N 3.37Å; N969-I972 PolarHBondContact O-N 3.19Å; I972-Y974 VanDerWaalsContact C-N 3.29Å; I972-Y974 PolarHBondContact O-N 3.32Å; I972-V975 PolarHBondContact O-N 3.39Å; I972-N976 WeakPolarHBondContact CG2-ND2 3.37Å; I972-N976 WeakPolarHBondContact O-CB 3.38Å; I972-N976 PolarHBondContact O-N 3.37Å; I972-N976 PolarHBondContact O-ND2 3.21Å |
| 973 | G | 90.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -52.6 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | N969 R970 V975 N976 D977 | N969-G973 PolarHBondContact O-N 3.28Å; R970-G973 PolarHBondContact O-N 3.31Å; G973-V975 PolarHBondContact O-N 3.06Å; G973-N976 PolarHBondContact O-N 3.48Å; G973-D977 PolarHBondContact O-N 3.05Å |
| 974 | Y | 92.4 | Very high | 88.3 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -51.3 | 176.2 | 173.4 | -103.6 | 0 | 0 | 0 | 113.2 | L798 E801 R970 L971 I972 N976 D977 R978 I1131 | L798-Y974 HydrophobicContact CD2-CD1 4.39Å; L798-Y974 HydrophobicContact CD2-CE1 3.59Å; E801-Y974 VanDerWaalsContact CD-OH 3.22Å; E801-Y974 PolarHBondContact OE1-OH 3.02Å; E801-Y974 PolarHBondContact OE2-OH 3.21Å; R970-Y974 PolarHBondContact O-N 2.9Å; L971-Y974 WeakPolarHBondContact O-CB 3.36Å; L971-Y974 PolarHBondContact O-N 2.98Å; I972-Y974 VanDerWaalsContact C-N 3.29Å; I972-Y974 PolarHBondContact O-N 3.32Å; Y974-N976 VanDerWaalsContact C-N 3.29Å; Y974-N976 PolarHBondContact O-N 3.25Å; Y974-D977 PolarHBondContact O-N 2.9Å; Y974-R978 HydrophobicContact CE1-CG 4.32Å; Y974-R978 HydrophobicContact CE2-CG 4.37Å; Y974-R978 WeakPolarHBondContact O-CG 3.48Å; Y974-R978 PolarHBondContact O-N 3.44Å; Y974-R978 PolarHBondContact OH-NE 3.44Å; Y974-R978 PolarHBondContact OH-NH2 3.14Å; Y974-I1131 HydrophobicContact CD1-CD1 3.68Å; Y974-I1131 HydrophobicContact CD2-CD1 3.22Å; Y974-I1131 HydrophobicContact CE1-CD1 3.96Å; Y974-I1131 HydrophobicContact CE2-CD1 3.49Å; Y974-I1131 VanDerWaalsContact CE2-CD1 3.49Å; Y974-I1131 HydrophobicContact CG-CD1 3.3Å |
| 975 | V | 91 | Very high | 87.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | I797 V805 V808 W950 L971 I972 G973 R978 V979 | I797-V975 HydrophobicContact CG2-CG2 3.75Å; V805-V975 HydrophobicContact CG2-CG1 4.48Å; V808-V975 HydrophobicContact CB-CG1 4.4Å; V808-V975 HydrophobicContact CG2-CG1 3.95Å; W950-V975 HydrophobicContact CH2-CB 3.74Å; W950-V975 HydrophobicContact CH2-CG1 3.83Å; W950-V975 HydrophobicContact CH2-CG2 4.02Å; W950-V975 HydrophobicContact CZ3-CB 4.04Å; W950-V975 HydrophobicContact CZ3-CG1 4.1Å; W950-V975 HydrophobicContact CZ3-CG2 3.81Å; L971-V975 PolarHBondContact O-N 3.36Å; I972-V975 PolarHBondContact O-N 3.39Å; G973-V975 PolarHBondContact O-N 3.06Å; V975-R978 WeakPolarHBondContact O-CB 3.38Å; V975-R978 PolarHBondContact O-N 2.83Å; V975-V979 HydrophobicContact CG1-CG2 4.48Å; V975-V979 WeakPolarHBondContact O-CG2 3.48Å; V975-V979 PolarHBondContact O-N 3Å |
| 976 | N | 88.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 178.2 | -72.5 | -26.6 | 0 | 0 | 0 | 112.7 | L841 I972 G973 Y974 R978 V979 A980 | L841-N976 HydrophobicContact CD2-CB 3.9Å; L841-N976 WeakPolarHBondContact CD2-ND2 3.41Å; I972-N976 WeakPolarHBondContact CG2-ND2 3.37Å; I972-N976 WeakPolarHBondContact O-CB 3.38Å; I972-N976 PolarHBondContact O-N 3.37Å; I972-N976 PolarHBondContact O-ND2 3.21Å; G973-N976 PolarHBondContact O-N 3.48Å; Y974-N976 VanDerWaalsContact C-N 3.29Å; Y974-N976 PolarHBondContact O-N 3.25Å; N976-R978 VanDerWaalsContact C-N 3.26Å; N976-R978 PolarHBondContact O-N 2.7Å; N976-V979 PolarHBondContact O-N 3.31Å; N976-A980 WeakPolarHBondContact O-CB 3.45Å; N976-A980 PolarHBondContact O-N 2.78Å |
| 977 | D | 88.7 | Confident | 84.8 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 173.5 | -72.7 | -20.8 | 0 | 0 | 0 | 110.9 | G973 Y974 A980 D981 | G973-D977 PolarHBondContact O-N 3.05Å; Y974-D977 PolarHBondContact O-N 2.9Å; D977-A980 WeakPolarHBondContact O-CB 3.28Å; D977-A980 PolarHBondContact O-N 3.38Å; D977-D981 PolarHBondContact O-N 3.46Å |
| 978 | R | 87.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.8 | -66.6 | -61.9 | -166.3 | -143.1 | -6.1 | 113.4 | E801 V805 Y974 V975 N976 A980 D981 L982 | E801-R978 WeakPolarHBondContact OE1-CD 3.3Å; E801-R978 WeakPolarHBondContact OE1-CG 3.49Å; E801-R978 IonicContact OE1-CZ 3.37Å; E801-R978 IonicContact OE1-NE 2.71Å; E801-R978 PolarHBondContact OE1-NE 3.49Å; V805-R978 HydrophobicContact CG2-CB 3.59Å; Y974-R978 HydrophobicContact CE1-CG 4.32Å; Y974-R978 HydrophobicContact CE2-CG 4.37Å; Y974-R978 WeakPolarHBondContact O-CG 3.48Å; Y974-R978 PolarHBondContact O-N 3.44Å; Y974-R978 PolarHBondContact OH-NE 3.44Å; Y974-R978 PolarHBondContact OH-NH2 3.14Å; V975-R978 WeakPolarHBondContact O-CB 3.38Å; V975-R978 PolarHBondContact O-N 2.83Å; N976-R978 VanDerWaalsContact C-N 3.26Å; N976-R978 PolarHBondContact O-N 2.7Å; R978-A980 VanDerWaalsContact C-N 3.33Å; R978-D981 PolarHBondContact O-N 3.41Å; R978-L982 PolarHBondContact O-N 3.46Å |
| 979 | V | 87.5 | Confident | 80.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | V805 V808 F809 V975 N976 L982 K983 | V805-V979 HydrophobicContact CB-CG2 4.31Å; V805-V979 HydrophobicContact CG1-CG2 3.82Å; V808-V979 HydrophobicContact CB-CG2 3.93Å; V808-V979 HydrophobicContact CG1-CG2 3.87Å; F809-V979 HydrophobicContact CB-CG1 4.11Å; F809-V979 HydrophobicContact CD2-CG1 4.15Å; V975-V979 HydrophobicContact CG1-CG2 4.48Å; V975-V979 WeakPolarHBondContact O-CG2 3.48Å; V975-V979 PolarHBondContact O-N 3Å; N976-V979 PolarHBondContact O-N 3.31Å; V979-L982 PolarHBondContact O-N 3.34Å; V979-K983 HydrophobicContact CG1-CD 4.5Å; V979-K983 WeakPolarHBondContact O-CG 3.39Å; V979-K983 PolarHBondContact O-N 2.67Å |
| 980 | A | 83.5 | Confident | 78.1 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 28% | 0.281 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N976 D977 R978 K983 R984 | N976-A980 WeakPolarHBondContact O-CB 3.45Å; N976-A980 PolarHBondContact O-N 2.78Å; D977-A980 WeakPolarHBondContact O-CB 3.28Å; D977-A980 PolarHBondContact O-N 3.38Å; R978-A980 VanDerWaalsContact C-N 3.33Å; A980-K983 WeakPolarHBondContact O-CB 3.26Å; A980-K983 PolarHBondContact O-N 3.25Å; A980-R984 WeakPolarHBondContact O-CG 3.48Å; A980-R984 PolarHBondContact O-N 3.1Å |
| 981 | D | 82.9 | Confident | 75.3 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.1 | -73.8 | -19.2 | 0 | 0 | 0 | 111.3 | D977 R978 K983 R984 I985 | D977-D981 PolarHBondContact O-N 3.46Å; R978-D981 PolarHBondContact O-N 3.41Å; D981-K983 PolarHBondContact O-N 2.83Å; D981-R984 PolarHBondContact O-N 2.88Å; D981-R984 IonicContact OD1-CZ 3.59Å; D981-R984 IonicContact OD1-NH1 3.6Å; D981-R984 PolarHBondContact OD1-NH1 2.53Å; D981-R984 IonicContact OD1-NH2 2.75Å; D981-I985 VanDerWaalsContact O-CG1 3.31Å; D981-I985 WeakPolarHBondContact O-CG1 3.47Å; D981-I985 PolarHBondContact O-N 3.41Å |
| 982 | L | 80.6 | Confident | 72.5 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.6 | -173.8 | 66.8 | 0 | 0 | 0 | 111.7 | V805 R978 V979 R984 I985 C986 | V805-L982 HydrophobicContact CG1-CB 4.29Å; V805-L982 HydrophobicContact CG1-CD2 3.81Å; R978-L982 PolarHBondContact O-N 3.46Å; V979-L982 PolarHBondContact O-N 3.34Å; L982-R984 PolarHBondContact O-N 2.92Å; L982-I985 PolarHBondContact O-N 3.33Å; L982-C986 PolarHBondContact O-N 3.1Å; L982-C986 PolarHBondContact O-SG 2.79Å; L982-C986 VanDerWaalsContact O-SG 3.4Å |
| 983 | K | 77.2 | Confident | 69.7 | Low | 67 Ų | 67 | 79 Ų | 79 | 29% | 0.291 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.7 | -82.3 | 174.5 | 179.4 | -179.4 | 0 | 111.9 | F809 V979 A980 D981 I985 C986 V987 | F809-K983 HydrophobicContact CD2-CG 3.94Å; F809-K983 HydrophobicContact CE2-CD 4.4Å; F809-K983 HydrophobicContact CE2-CG 3.63Å; V979-K983 HydrophobicContact CG1-CD 4.5Å; V979-K983 WeakPolarHBondContact O-CG 3.39Å; V979-K983 PolarHBondContact O-N 2.67Å; A980-K983 WeakPolarHBondContact O-CB 3.26Å; A980-K983 PolarHBondContact O-N 3.25Å; D981-K983 PolarHBondContact O-N 2.83Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.41Å; K983-C986 PolarHBondContact O-N 3.01Å; K983-V987 WeakPolarHBondContact O-CG2 3.35Å; K983-V987 PolarHBondContact O-N 2.78Å |
| 984 | R | 76.7 | Confident | 67 | Low | 164 Ų | 164 | 84.1 Ų | 84.1 | 62% | 0.619 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 178.8 | -70.3 | -175.8 | -143 | 133.6 | 8.2 | 111.4 | A980 D981 L982 S988 | A980-R984 WeakPolarHBondContact O-CG 3.48Å; A980-R984 PolarHBondContact O-N 3.1Å; D981-R984 PolarHBondContact O-N 2.88Å; D981-R984 IonicContact OD1-CZ 3.59Å; D981-R984 IonicContact OD1-NH1 3.6Å; D981-R984 PolarHBondContact OD1-NH1 2.53Å; D981-R984 IonicContact OD1-NH2 2.75Å; L982-R984 PolarHBondContact O-N 2.92Å; R984-S988 WeakPolarHBondContact O-CB 3.45Å; R984-S988 PolarHBondContact O-N 3.2Å; R984-S988 PolarHBondContact O-OG 3Å |
| 985 | I | 74.2 | Confident | 64.2 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 176.4 | -65.2 | 164.5 | 0 | 0 | 0 | 110.3 | D981 L982 K983 S988 | D981-I985 VanDerWaalsContact O-CG1 3.31Å; D981-I985 WeakPolarHBondContact O-CG1 3.47Å; D981-I985 PolarHBondContact O-N 3.41Å; L982-I985 PolarHBondContact O-N 3.33Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.41Å; I985-S988 PolarHBondContact O-OG 2.96Å |
| 986 | C | 67 | Low | 61.4 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.2 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | L982 K983 S988 S989 | L982-C986 PolarHBondContact O-N 3.1Å; L982-C986 PolarHBondContact O-SG 2.79Å; L982-C986 VanDerWaalsContact O-SG 3.4Å; K983-C986 PolarHBondContact O-N 3.01Å; C986-S988 PolarHBondContact O-N 3.42Å; C986-S989 PolarHBondContact O-N 3.36Å; C986-S989 PolarHBondContact O-OG 3.46Å |
| 987 | V | 58.9 | Low | 58.7 | Low | 109 Ų | 109 | 96.2 Ų | 96.2 | 66% | 0.661 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -33.9 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | K983 S989 V990 | K983-V987 WeakPolarHBondContact O-CG2 3.35Å; K983-V987 PolarHBondContact O-N 2.78Å; V987-S989 PolarHBondContact O-N 3.1Å; V987-S989 VanDerWaalsContact O-N 3.1Å; V987-V990 PolarHBondContact O-N 2.99Å |
| 988 | S | 51.7 | Low | 56 | Low | 95 Ų | 95 | 100.3 Ų | 100.3 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -13.7 | 176.5 | 75 | 0 | 0 | 0 | 0 | 114.2 | R984 I985 C986 V990 | R984-S988 WeakPolarHBondContact O-CB 3.45Å; R984-S988 PolarHBondContact O-N 3.2Å; R984-S988 PolarHBondContact O-OG 3Å; I985-S988 PolarHBondContact O-OG 2.96Å; C986-S988 PolarHBondContact O-N 3.42Å; S988-V990 VanDerWaalsContact C-N 3.35Å |
| 989 | S | 47.6 | Very low | 53.3 | Low | 91 Ų | 91 | 99.5 Ų | 99.5 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -0.3 | 178 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | C986 V987 | C986-S989 PolarHBondContact O-N 3.36Å; C986-S989 PolarHBondContact O-OG 3.46Å; V987-S989 PolarHBondContact O-N 3.1Å; V987-S989 VanDerWaalsContact O-N 3.1Å |
| 990 | V | 37.1 | Very low | 50.6 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | -113.5 | 92.3 | -179.1 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | V987 S988 | V987-V990 PolarHBondContact O-N 2.99Å; S988-V990 VanDerWaalsContact C-N 3.35Å | ||
| 991 | L | 33.1 | Very low | 47.9 | Very low | 151 Ų | 151 | 119.4 Ų | 119.4 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -84.8 | 134.6 | 165.1 | -112.1 | 129.3 | 0 | 0 | 0 | 109.5 | T993 | L991-T993 PolarHBondContact O-N 3.49Š| ||
| 992 | P | 34.6 | Very low | 45.2 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | trans | -78.3 | 110 | -179.3 | 30.1 | -30.8 | 0 | 0 | 0 | 109.9 | ||||
| 993 | T | 31.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | trans | -109 | 119.7 | 165.4 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | L991 | L991-T993 PolarHBondContact O-N 3.49Š| ||
| 994 | T | 33.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -5.3 | 139.4 | 165.3 | 10.4 | 0 | 0 | 0 | 0 | 119 | G996 | T994-G996 PolarHBondContact O-N 3.05Š| ||
| 995 | P | 34.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | trans | -78.1 | 114.3 | -177.8 | 31.5 | -30.6 | 0 | 0 | 0 | 111.2 | ||||
| 996 | G | 32.3 | Very low | 35.5 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | -172.9 | 97.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T994 | T994-G996 PolarHBondContact O-N 3.05Š| ||
| 997 | S | 31 | Very low | 33.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 59 | 125.2 | 153.9 | 67.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 998 | Q | 32.8 | Very low | 32.1 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | 79 | 125.7 | 155.2 | -62.5 | -165.3 | -1.3 | 0 | 0 | 119.2 | R1000 | Q998-R1000 PolarHBondContact O-N 3.22Š| ||
| 999 | G | 31.7 | Very low | 30.9 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -52.8 | 128.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1000 | R | 29.6 | Very low | 29.9 | Very low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -139.5 | 121.9 | 156 | -144.9 | 172.6 | -173.4 | -179.1 | 0.9 | 110 | Q998 V1002 | Q998-R1000 PolarHBondContact O-N 3.22Å; R1000-V1002 PolarHBondContact O-N 3.35Å | ||
| 1001 | R | 27.1 | Very low | 29.4 | Very low | 219 Ų | 219 | 131.2 Ų | 131.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 118.6 | 178.3 | -155.8 | 177.5 | -172.1 | 177.9 | 1.3 | 109.1 | ||||
| 1002 | V | 26 | Very low | 29.1 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -89 | 103.1 | 168 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | R1000 | R1000-V1002 PolarHBondContact O-N 3.35Š| ||
| 1003 | T | 27 | Very low | 28.7 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -80.1 | 111.5 | 165.3 | 20.1 | 0 | 0 | 0 | 0 | 108.7 | V1005 | T1003-V1005 PolarHBondContact O-N 3.01Å; T1003-V1005 VanDerWaalsContact O-N 3.14Å | ||
| 1004 | V | 26.2 | Very low | 28.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -73 | 97.8 | 165.3 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | G1006 | V1004-G1006 PolarHBondContact O-N 3.23Š| ||
| 1005 | V | 26.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 101 | 162.7 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | T1003 S1007 | T1003-V1005 PolarHBondContact O-N 3.01Å; T1003-V1005 VanDerWaalsContact O-N 3.14Å; V1005-S1007 WeakPolarHBondContact CG1-OG 3.47Å; V1005-S1007 PolarHBondContact O-N 3.14Å | ||
| 1006 | G | 25.9 | Very low | 28.6 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 82.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1004 F1008 | V1004-G1006 PolarHBondContact O-N 3.23Å; G1006-F1008 PolarHBondContact O-N 3.36Å | ||
| 1007 | S | 26 | Very low | 28.5 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 100.8 | 164.7 | -59.6 | 0 | 0 | 0 | 0 | 108.3 | V1005 | V1005-S1007 WeakPolarHBondContact CG1-OG 3.47Å; V1005-S1007 PolarHBondContact O-N 3.14Å | ||
| 1008 | F | 27.7 | Very low | 28.5 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | trans | -56.4 | 145.8 | 158.5 | -74.3 | -85.2 | 0 | 0 | 0 | 109.1 | G1006 V1010 | G1006-F1008 PolarHBondContact O-N 3.36Å; F1008-V1010 PolarHBondContact O-N 3.5Å | ||
| 1009 | P | 26.8 | Very low | 28.2 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -69.7 | 96.1 | -179.7 | 29.5 | -31.4 | 0 | 0 | 0 | 108.8 | T1011 | P1009-T1011 PolarHBondContact O-N 2.97Š| ||
| 1010 | V | 27.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -57.9 | 125.3 | 150 | 175.9 | 0 | 0 | 0 | 0 | 105.8 | F1008 K1012 | F1008-V1010 PolarHBondContact O-N 3.5Å; V1010-K1012 PolarHBondContact O-N 2.86Å | ||
| 1011 | T | 25.6 | Very low | 28.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -34.6 | 113.1 | 171.8 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | P1009 S1013 | P1009-T1011 PolarHBondContact O-N 2.97Å; T1011-S1013 PolarHBondContact O-N 3.14Å | ||
| 1012 | K | 26.3 | Very low | 28.4 | Very low | 208 Ų | 208 | 128.2 Ų | 128.2 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -61.4 | 105.9 | 178.1 | -76 | -178.1 | 176.9 | 178.2 | 0 | 109.7 | V1010 | V1010-K1012 PolarHBondContact O-N 2.86Š| ||
| 1013 | S | 26.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -69.8 | 131.5 | 142.5 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | T1011 | T1011-S1013 PolarHBondContact O-N 3.14Š| ||
| 1014 | S | 32.9 | Very low | 29.2 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 56.8 | 104.6 | 162.2 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1015 | S | 29.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -59.9 | 142.4 | 154.5 | 37.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1016 | P | 35.2 | Very low | 29.8 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -108.6 | 123.1 | 167.1 | 33.9 | -23.3 | 0 | 0 | 0 | 114.2 | ||||
| 1017 | V | 30.5 | Very low | 29.7 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | 63.3 | 123.4 | 126.3 | -169.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1018 | A | 30.2 | Very low | 29.9 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -121.5 | 115.9 | 144 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1019 | E | 26.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 40.2 | 120.7 | 144 | -55.1 | -171.7 | 164.9 | 0 | 0 | 122.2 | ||||
| 1020 | H | 31.9 | Very low | 29.9 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -176.3 | 128.9 | 101.8 | -102 | -15.8 | 0 | 0 | 0 | 114.7 | |||||
| 1021 | R | 30 | Very low | 29.9 | Very low | 234 Ų | 234 | 141.2 Ų | 141.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 52.6 | 123 | 140.8 | -69.3 | -176.6 | 177.5 | -159 | -0.5 | 122 | ||||
| 1022 | G | 31.2 | Very low | 29.9 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 150.6 | 86.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1023 | S | 28.9 | Very low | 30 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -83.7 | -175.6 | 168.9 | -133.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1024 | P | 40.4 | Very low | 30 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -140.9 | -174.1 | -15.4 | 26.6 | -0.9 | 0 | 0 | 0 | 115.4 | ||||
| 1025 | V | 33.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 128.3 | 95.8 | 139.9 | -172.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1026 | N | 31.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 58.3 | 101.8 | 133.2 | -63.5 | -20.7 | 0 | 0 | 0 | 125.1 | ||||
| 1027 | R | 24.8 | Very low | 29.1 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | 33.6 | 149.5 | 113.4 | -80.5 | -173.4 | -176.9 | -162.7 | 1.3 | 120.6 | |||||
| 1028 | P | 31 | Very low | 29 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -147.5 | 160.2 | 37.1 | 37.2 | -15.1 | 0 | 0 | 0 | 120 | ||||
| 1029 | K | 26 | Very low | 28.9 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 47.7 | 113.6 | 141 | -63.4 | 174.5 | -179 | 179.6 | 0 | 119.6 | ||||
| 1030 | F | 27.1 | Very low | 29 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | -156.1 | 154 | 105.6 | -100 | -77 | 0 | 0 | 0 | 110.3 | |||||
| 1031 | S | 28.6 | Very low | 28.9 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -73 | 133.6 | -158.5 | 38.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1032 | I | 24.7 | Very low | 29 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 123 | 147.8 | -75 | 167.7 | 0 | 0 | 0 | 107.1 | ||||
| 1033 | G | 28 | Very low | 28.8 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -139.9 | 103.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | G1035 | G1033-G1035 PolarHBondContact O-N 2.99Š| ||
| 1034 | V | 27.1 | Very low | 28.6 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -53.9 | 114.4 | 166.4 | 169.6 | 0 | 0 | 0 | 0 | 108.6 | V1036 | V1034-V1036 HydrophobicContact CG1-CG2 4.09Å; V1034-V1036 PolarHBondContact O-N 3.35Å | ||
| 1035 | G | 26.8 | Very low | 28.8 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -84 | 90.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1033 | G1033-G1035 PolarHBondContact O-N 2.99Š| ||
| 1036 | V | 25.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -96.3 | 115.2 | 145.7 | 169.3 | 0 | 0 | 0 | 0 | 104.9 | V1034 | V1034-V1036 HydrophobicContact CG1-CG2 4.09Å; V1034-V1036 PolarHBondContact O-N 3.35Å | ||
| 1037 | T | 26.7 | Very low | 28.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -167 | 123.2 | 146.8 | 41.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1038 | T | 28 | Very low | 28.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -64.2 | 149 | 163 | 46 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1039 | V | 29 | Very low | 28.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -152.5 | 126.1 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1040 | D | 29.2 | Very low | 28.7 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -161.5 | 145.6 | 39.2 | -113.9 | -30.2 | 0 | 0 | 0 | 113.6 | ||||
| 1041 | C | 29.7 | Very low | 28.7 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 156.6 | 123.5 | 136.6 | -80.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1042 | A | 30.5 | Very low | 28.6 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -170 | 150.2 | -11.3 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1043 | G | 28.1 | Very low | 28.9 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 53.6 | 116.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1044 | S | 25.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -73.1 | -175.7 | 151.4 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1045 | P | 43.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -124.6 | 175.6 | -28.1 | 21.7 | 3.1 | 0 | 0 | 0 | 111 | ||||
| 1046 | N | 30.2 | Very low | 28.9 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 177.7 | 152.4 | 66 | -150.1 | 19.5 | 0 | 0 | 0 | 112.4 | |||||
| 1047 | E | 29.8 | Very low | 29 | Very low | 140 Ų | 140 | 133 Ų | 133 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | 82.4 | 98.8 | 148.3 | -79.4 | 167.8 | -160.5 | 0 | 0 | 124.9 | ||||
| 1048 | Q | 28.6 | Very low | 29.2 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 80 | 107.5 | 114.6 | -74.7 | 177.3 | 21.5 | 0 | 0 | 123 | |||||
| 1049 | S | 26.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 68 | 148.5 | 131 | 89.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1050 | T | 29.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | cis | -162.6 | 130.4 | 21.6 | -16.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1051 | Y | 27.2 | Very low | 29.4 | Very low | 223 Ų | 223 | 129 Ų | 129 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | 25.4 | 142.8 | 142.4 | -70.5 | -83.3 | 0 | 0 | 0 | 126.7 | ||||
| 1052 | K | 27.6 | Very low | 29.6 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | 96.5 | 130.6 | 153.7 | -69.7 | 175.1 | -178.6 | -178.8 | 0 | 116.3 | ||||
| 1053 | S | 29.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | cis | -144.5 | 151 | 18.5 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1054 | V | 26.7 | Very low | 29.8 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -87 | 141.9 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1055 | S | 29.8 | Very low | 30.2 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -133.9 | 132.1 | 149.2 | 58.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1056 | D | 26.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -62.9 | 142.6 | -169.1 | -64 | -62.1 | 0 | 0 | 0 | 115.5 | ||||
| 1057 | V | 28.5 | Very low | 30 | Very low | 132 Ų | 132 | 125 Ų | 125 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | -135 | 124.1 | 158.6 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1058 | S | 30.1 | Very low | 30.1 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -59.8 | 151.8 | -176.2 | -79.7 | 0 | 0 | 0 | 0 | 115.8 | M1060 | S1058-M1060 VanDerWaalsContact C-N 3.26Å; S1058-M1060 PolarHBondContact O-N 3.3Å | ||
| 1059 | P | 28.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 32.5 | -174.2 | 36.2 | -37 | 0 | 0 | 0 | 115 | ||
| 1060 | M | 30.1 | Very low | 30.3 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -12.1 | 177.6 | -104.3 | -74 | -108 | 0 | 0 | 113.7 | S1058 S1062 | S1058-M1060 VanDerWaalsContact C-N 3.26Å; S1058-M1060 PolarHBondContact O-N 3.3Å; M1060-S1062 PolarHBondContact O-N 2.97Å |
| 1061 | L | 31.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -9.7 | -176.2 | -93.6 | 88.2 | 0 | 0 | 0 | 114.9 | I1063 | L1061-I1063 VanDerWaalsContact C-N 3.31Å; L1061-I1063 PolarHBondContact O-N 3.39Å |
| 1062 | S | 33.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -11.3 | -177.1 | -166.1 | 0 | 0 | 0 | 0 | 114 | M1060 | M1060-S1062 PolarHBondContact O-N 2.97Š|
| 1063 | I | 31.7 | Very low | 30 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 53% | 0.528 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -27.6 | 177.5 | -64.2 | 174.1 | 0 | 0 | 0 | 111 | L1061 S1065 A1066 I1067 | L1061-I1063 VanDerWaalsContact C-N 3.31Å; L1061-I1063 PolarHBondContact O-N 3.39Å; I1063-S1065 VanDerWaalsContact C-N 3.28Å; I1063-S1065 PolarHBondContact O-N 3.47Å; I1063-A1066 PolarHBondContact O-N 3.3Å; I1063-I1067 HydrophobicContact CG2-CD1 3.68Å; I1063-I1067 HydrophobicContact CG2-CG1 4.43Å |
| 1064 | Y | 32.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 39% | 0.388 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.9 | -27.9 | -179.5 | -93.5 | -95.7 | 0 | 0 | 0 | 114 | L939 | L939-Y1064 HydrophobicContact CD1-CE1 4.03Å; L939-Y1064 WeakPolarHBondContact CD1-OH 3.48Å |
| 1065 | S | 33.2 | Very low | 29.9 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 53% | 0.531 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -80.3 | -36.5 | 179.8 | 170.3 | 0 | 0 | 0 | 0 | 112.9 | I1063 T1069 | I1063-S1065 VanDerWaalsContact C-N 3.28Å; I1063-S1065 PolarHBondContact O-N 3.47Å; S1065-T1069 PolarHBondContact O-N 3.28Å; S1065-T1069 PolarHBondContact O-OG1 3.07Å |
| 1066 | A | 31.4 | Very low | 29.7 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -82.2 | -24.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1063 | I1063-A1066 PolarHBondContact O-N 3.3Å |
| 1067 | I | 37.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 59% | 0.585 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -91.4 | -28 | -178.2 | -61.7 | 178.1 | 0 | 0 | 0 | 111.9 | I1063 | I1063-I1067 HydrophobicContact CG2-CD1 3.68Å; I1063-I1067 HydrophobicContact CG2-CG1 4.43Å |
| 1068 | Y | 33.1 | Very low | 29.8 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 33% | 0.325 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -117.5 | -0.1 | -168.9 | -68.1 | -68.2 | 0 | 0 | 0 | 115.8 | N944 | N944-Y1068 WeakPolarHBondContact ND2-CE1 3.5Å |
| 1069 | T | 30.1 | Very low | 29.6 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | trans | -125.4 | 63.4 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 113 | S1065 | S1065-T1069 PolarHBondContact O-N 3.28Å; S1065-T1069 PolarHBondContact O-OG1 3.07Å | ||
| 1070 | S | 27.4 | Very low | 29.8 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -123.9 | 68.6 | 161.3 | -177.6 | 0 | 0 | 0 | 0 | 111 | R1072 | S1070-R1072 VanDerWaalsContact C-N 3.3Å; S1070-R1072 PolarHBondContact O-N 3.14Å | ||
| 1071 | L | 26 | Very low | 29.7 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -85.4 | 76.6 | 155.9 | -96.2 | 148.8 | 0 | 0 | 0 | 107.8 | R1073 | L1071-R1073 PolarHBondContact O-N 3Š| ||
| 1072 | R | 26.8 | Very low | 30.1 | Very low | 228 Ų | 228 | 123.9 Ų | 123.9 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | -86.3 | 94.9 | 162.1 | -78.9 | -167.4 | 177.3 | -170.5 | 0.9 | 108.3 | S1070 | S1070-R1072 VanDerWaalsContact C-N 3.3Å; S1070-R1072 PolarHBondContact O-N 3.14Å | ||
| 1073 | R | 25.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 63% | 0.634 | 69% | 0.69 | S | S | * | * | trans | -66.4 | 132.2 | 162.4 | -76.5 | -177.6 | 175.5 | -174.8 | -1.6 | 109.1 | L1071 | L1071-R1073 PolarHBondContact O-N 3Š| ||
| 1074 | P | 26.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | trans | -77.7 | 118.2 | 153.7 | 29.9 | -24.8 | 0 | 0 | 0 | 107.9 | F1076 | P1074-F1076 PolarHBondContact O-N 3.09Š| ||
| 1075 | V | 28.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -74.9 | 105 | 168.6 | 175.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1076 | F | 24.4 | Very low | 29.8 | Very low | 207 Ų | 207 | 126.1 Ų | 126.1 | 91% | 0.908 | 72% | 0.724 | S | S | * | * | trans | -85.6 | 103.6 | 154.8 | -86.7 | -80.3 | 0 | 0 | 0 | 107.3 | P1074 | P1074-F1076 PolarHBondContact O-N 3.09Š| ||
| 1077 | G | 29.3 | Very low | 29.8 | Very low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | trans | -124.1 | 109.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1078 | E | 27.3 | Very low | 29.5 | Very low | 192 Ų | 192 | 131 Ų | 131 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 34.4 | 101.2 | 147.4 | -62.5 | -178.8 | 161.5 | 0 | 0 | 117.9 | ||||
| 1079 | G | 26 | Very low | 29.4 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -76.2 | 139.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1080 | P | 34 | Very low | 29.4 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -99.9 | 110.1 | 156.3 | 32.4 | -21 | 0 | 0 | 0 | 109.4 | ||||
| 1081 | E | 26.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 159.9 | 152.2 | -82.5 | -93 | 164.5 | 0 | 0 | 106.8 | ||||
| 1082 | P | 40.4 | Very low | 30.2 | Very low | 92 Ų | 92 | 140 Ų | 140 | 60% | 0.597 | 77% | 0.769 | S | S | * | * | cis | -146.5 | -177.3 | 4.4 | 36.7 | -14.4 | 0 | 0 | 0 | 116.6 | ||||
| 1083 | N | 29.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 83.9 | 111.8 | 139.7 | -74.7 | -23.7 | 0 | 0 | 0 | 122.5 | ||||
| 1084 | V | 32.1 | Very low | 30.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | -138.4 | 119.6 | 119.9 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1085 | G | 30.4 | Very low | 30.7 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -75.6 | -176.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1086 | A | 32.1 | Very low | 30.6 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | cis | 178.4 | 171.7 | 35.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1087 | Y | 33.3 | Very low | 31.1 | Very low | 236 Ų | 236 | 130.6 Ų | 130.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 137.7 | 158.1 | -55.2 | -71.4 | 0 | 0 | 0 | 118.8 | ||||
| 1088 | G | 30 | Very low | 31.2 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | 159.4 | 141.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1089 | I | 30.2 | Very low | 31 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 63 | 117.9 | 139 | -52.6 | 174.8 | 0 | 0 | 0 | 117.8 | ||||
| 1090 | D | 30.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | -168.3 | 163.2 | 90.2 | -109.9 | -36.6 | 0 | 0 | 0 | 115.1 | |||||
| 1091 | R | 29.1 | Very low | 30.8 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -100.3 | -151 | -158.2 | -64.1 | 173.1 | 152.9 | 172.8 | -5.1 | 116.1 | ||||
| 1092 | P | 41.1 | Very low | 31 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -134.3 | -158.5 | -82.4 | 42.4 | -22.3 | 0 | 0 | 0 | 115.8 | |||||
| 1093 | D | 29.5 | Very low | 30.2 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 87.9 | 139.4 | 165.6 | -72.4 | -11.2 | 0 | 0 | 0 | 118.3 | ||||
| 1094 | S | 31.1 | Very low | 30.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | cis | -169.1 | 158.5 | 5.6 | 47 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1095 | G | 28.4 | Very low | 29.9 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 139.9 | 91.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1096 | Q | 27.1 | Very low | 30 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 176.3 | 147.3 | -89.9 | -171.5 | -21.9 | 0 | 0 | 109.3 | ||||
| 1097 | P | 36.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 82% | 0.822 | S | S | * | * | cis | -141.3 | -176.1 | 8.5 | 27.7 | -1.4 | 0 | 0 | 0 | 116.5 | ||||
| 1098 | T | 29.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | 128 | 141.2 | 142.3 | 65.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1099 | F | 25.1 | Very low | 29.7 | Very low | 212 Ų | 212 | 144 Ų | 144 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -69.6 | 147.5 | -168.3 | -76.3 | -106.4 | 0 | 0 | 0 | 115.8 | ||||
| 1100 | A | 29 | Very low | 29.6 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 161.7 | 130.1 | 114.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1101 | N | 25.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | 25.8 | 119 | 148.5 | -69.5 | -18.7 | 0 | 0 | 0 | 121.3 | ||||
| 1102 | A | 30.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | -172.2 | 110.1 | 127.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1103 | H | 24.5 | Very low | 28.8 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | trans | -79.2 | 128.3 | 159.7 | -85.3 | -85.5 | 0 | 0 | 0 | 109.9 | ||||
| 1104 | K | 28.5 | Very low | 29 | Very low | 194 Ų | 194 | 132 Ų | 132 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -150 | 104.6 | 158.2 | -91.6 | -174 | 178.3 | 177.2 | 0 | 107.1 | ||||
| 1105 | S | 26.3 | Very low | 29 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | 72.5 | 106.6 | 83.7 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1106 | S | 31.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -118.4 | 93.3 | 163.5 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1107 | I | 31.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | 43.7 | 108.1 | 130.6 | -54.4 | 165.4 | 0 | 0 | 0 | 118.9 | ||||
| 1108 | S | 23.9 | Very low | 28.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -111.3 | 149.3 | 145.3 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1109 | P | 33.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -104.2 | 136.3 | 158.8 | 22.3 | -5.9 | 0 | 0 | 0 | 111.9 | ||||
| 1110 | S | 28.6 | Very low | 28.1 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -101.5 | 146.7 | -161.9 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1111 | S | 27.7 | Very low | 28 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 23.8 | 130.9 | 138.6 | 61.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1112 | G | 29.9 | Very low | 27.9 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -132.5 | 139.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1113 | C | 28.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 143 Ų | 143 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -70.7 | 170 | -157.9 | -71.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1114 | P | 33.2 | Very low | 28 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -101.4 | 160.1 | -170.8 | 39 | -30.9 | 0 | 0 | 0 | 114.2 | ||||
| 1115 | L | 31.6 | Very low | 28.2 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | 169.2 | 157.6 | 156.1 | -87.1 | 169.3 | 0 | 0 | 0 | 106.1 | ||||
| 1116 | D | 25.2 | Very low | 28.3 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | -151 | 156.7 | -50.5 | -172.4 | 15.3 | 0 | 0 | 0 | 105 | |||||
| 1117 | D | 25.5 | Very low | 28.8 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 60.9 | 118.7 | 166.3 | -80.8 | -31 | 0 | 0 | 0 | 122.5 | ||||
| 1118 | G | 25.2 | Very low | 29.7 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 150.9 | 89.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1119 | Q | 26.8 | Very low | 31.5 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | 82.2 | 90.6 | 163.5 | -63.4 | -178.6 | -3.6 | 0 | 0 | 117.9 | R1121 | Q1119-R1121 PolarHBondContact O-N 3.32Å; Q1119-R1121 VanDerWaalsContact O-N 3.07Å | ||
| 1120 | M | 23.8 | Very low | 33.2 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -49.4 | 108 | 150.7 | -76.1 | -156.1 | -101.2 | 0 | 0 | 110.5 | ||||
| 1121 | R | 26 | Very low | 35.8 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -87.5 | 113.1 | 143.8 | -85.2 | -176.1 | 169.9 | -155.8 | -3.2 | 105.9 | Q1119 S1123 | Q1119-R1121 PolarHBondContact O-N 3.32Å; Q1119-R1121 VanDerWaalsContact O-N 3.07Å; R1121-S1123 PolarHBondContact O-N 3.06Å | ||
| 1122 | E | 24 | Very low | 38.6 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -48.6 | 105.5 | 166.6 | -72.1 | 173.3 | 154.5 | 0 | 0 | 108.9 | R1124 | E1122-R1124 PolarHBondContact O-N 2.89Š| ||
| 1123 | S | 26.7 | Very low | 41 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | trans | -62 | 121.9 | 163.7 | 36.7 | 0 | 0 | 0 | 0 | 107.3 | R1121 D1125 | R1121-S1123 PolarHBondContact O-N 3.06Å; S1123-D1125 PolarHBondContact O-N 3.3Å | ||
| 1124 | R | 31.7 | Very low | 43.6 | Very low | 250 Ų | 250 | 130.7 Ų | 130.7 | 94% | 0.943 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -67.4 | 51.4 | 172 | -75.4 | -179.9 | 167.1 | -179.3 | -5 | 112 | E1122 | E1122-R1124 PolarHBondContact O-N 2.89Š|
| 1125 | D | 30.8 | Very low | 45.9 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | trans | -109.7 | 30 | 167 | -73.1 | -36 | 0 | 0 | 0 | 110.4 | S1123 K1127 | S1123-D1125 PolarHBondContact O-N 3.3Å; D1125-K1127 PolarHBondContact O-N 2.83Å; D1125-K1127 VanDerWaalsContact O-N 3.15Å | ||
| 1126 | G | 29.6 | Very low | 48.6 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -69.4 | 104.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | S1128 | G1126-S1128 VanDerWaalsContact C-N 3.31Å; G1126-S1128 PolarHBondContact O-N 2.76Å |
| 1127 | K | 40.9 | Very low | 51.7 | Low | 210 Ų | 210 | 114.2 Ų | 114.2 | 91% | 0.913 | 60% | 0.6 | S | S | * | * | trans | -42.4 | 96.4 | 172.2 | -72.1 | 178.3 | 177.7 | 178.9 | 0 | 108.7 | D1125 K1129 | D1125-K1127 PolarHBondContact O-N 2.83Å; D1125-K1127 VanDerWaalsContact O-N 3.15Å; K1127-K1129 PolarHBondContact O-N 3.36Å | ||
| 1128 | S | 50.7 | Low | 54.6 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.7 | 180 | 52.4 | 0 | 0 | 0 | 0 | 106.5 | G1126 | G1126-S1128 VanDerWaalsContact C-N 3.31Å; G1126-S1128 PolarHBondContact O-N 2.76Å |
| 1129 | K | 60.9 | Low | 57.4 | Low | 172 Ų | 172 | 110.4 Ų | 110.4 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 134.1 | 175.9 | -168.9 | 177.7 | -179.4 | -179.4 | 0 | 109.2 | K1127 | K1127-K1129 PolarHBondContact O-N 3.36Š|
| 1130 | P | 70.8 | Confident | 60.3 | Low | 36 Ų | 36 | 101.4 Ų | 101.4 | 23% | 0.234 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -54 | 143.7 | 179.7 | 22.3 | -33.9 | 0 | 0 | 0 | 110.9 | W795 E1133 | W795-P1130 HydrophobicContact CH2-CB 3.84Å; W795-P1130 HydrophobicContact CZ2-CB 4.12Å; P1130-E1133 HydrophobicContact CG-CB 3.99Å; P1130-E1133 HydrophobicContact CG-CG 4.35Å |
| 1131 | I | 81.7 | Confident | 63.4 | Low | 62 Ų | 62 | 92.9 Ų | 92.9 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -67.6 | -43.9 | -176.2 | -52 | -179.9 | 0 | 0 | 0 | 109.7 | H794 L798 Y974 | H794-I1131 VanDerWaalsContact CE1-CB 3.45Å; H794-I1131 WeakPolarHBondContact CE1-CB 3.34Å; L798-I1131 HydrophobicContact CD2-CD1 4.16Å; Y974-I1131 HydrophobicContact CD1-CD1 3.68Å; Y974-I1131 HydrophobicContact CD2-CD1 3.22Å; Y974-I1131 HydrophobicContact CE1-CD1 3.96Å; Y974-I1131 HydrophobicContact CE2-CD1 3.49Å; Y974-I1131 VanDerWaalsContact CE2-CD1 3.49Å; Y974-I1131 HydrophobicContact CG-CD1 3.3Å |
| 1132 | L | 86.8 | Confident | 66.1 | Low | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -118.7 | 129.6 | 173 | -61.4 | -173.7 | 0 | 0 | 0 | 109.2 | L790 H794 M967 R970 L971 | L790-L1132 HydrophobicContact CG-CD1 4.19Å; H794-L1132 HydrophobicContact CB-CB 4.28Å; H794-L1132 HydrophobicContact CB-CD1 4.06Å; H794-L1132 HydrophobicContact CB-CG 4.49Å; M967-L1132 HydrophobicContact CB-CD1 4.29Å; M967-L1132 HydrophobicContact CB-CD2 4.07Å; M967-L1132 HydrophobicContact CG-CD2 4.27Å; R970-L1132 HydrophobicContact CB-CD2 4.14Å; L971-L1132 HydrophobicContact CB-CD1 3.91Å; L971-L1132 HydrophobicContact CD2-CD1 4.2Å |
| 1133 | E | 81.4 | Confident | 68.8 | Low | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | trans | -145.8 | 141.1 | 172.9 | -172.3 | 168.4 | -145.7 | 0 | 0 | 108 | P1130 | P1130-E1133 HydrophobicContact CG-CB 3.99Å; P1130-E1133 HydrophobicContact CG-CG 4.35Å | ||
| 1134 | T | 81.4 | Confident | 71.7 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | trans | -110.7 | 149.7 | 175 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | R787 E788 V791 M967 F1136 | R787-T1134 HydrophobicContact CB-CG2 4.46Å; E788-T1134 WeakPolarHBondContact OE1-CB 3.44Å; E788-T1134 VanDerWaalsContact OE1-CG2 3.3Å; E788-T1134 WeakPolarHBondContact OE1-CG2 3.42Å; E788-T1134 PolarHBondContact OE1-OG1 2.96Å; E788-T1134 PolarHBondContact OE2-OG1 3.49Å; V791-T1134 HydrophobicContact CG2-CG2 3.55Å; M967-T1134 HydrophobicContact CE-CG2 3.75Å; M967-T1134 HydrophobicContact SD-CG2 4.48Å; T1134-F1136 PolarHBondContact O-N 3.1Å | ||
| 1135 | G | 81.8 | Confident | 74.1 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | trans | -78.2 | 22.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1138 S1139 | G1135-S1138 CarbonylContact O-C 3.56Å; G1135-S1138 WeakPolarHBondContact O-CB 3.42Å; G1135-S1138 PolarHBondContact O-N 3.17Å; G1135-S1139 WeakPolarHBondContact O-CB 3.42Å; G1135-S1139 PolarHBondContact O-N 3.36Å | ||
| 1136 | F | 89.6 | Confident | 76.4 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -53 | -166.3 | 175.6 | -105.6 | 0 | 0 | 0 | 113.7 | L703 I738 A741 S742 Y745 L784 E788 T1134 S1138 S1139 C1140 | L703-F1136 HydrophobicContact CD2-CE1 3.93Å; I738-F1136 HydrophobicContact CD1-CE2 3.58Å; I738-F1136 HydrophobicContact CD1-CZ 3.95Å; A741-F1136 HydrophobicContact CB-CD2 4.41Å; A741-F1136 HydrophobicContact CB-CE2 3.53Å; A741-F1136 HydrophobicContact CB-CZ 3.6Å; S742-F1136 WeakPolarHBondContact OG-CZ 3.37Å; Y745-F1136 HydrophobicContact CD2-CD1 4.04Å; Y745-F1136 AromaticContact CG-CD1 3.97Å; Y745-F1136 HydrophobicContact CG-CD1 3.97Å; Y745-F1136 HydrophobicContact CG-CE1 4.39Å; L784-F1136 HydrophobicContact CD1-CD2 3.84Å; L784-F1136 HydrophobicContact CD1-CE2 4.08Å; L784-F1136 HydrophobicContact CD2-CE2 4.11Å; L784-F1136 HydrophobicContact CG-CD2 4.39Å; L784-F1136 HydrophobicContact CG-CE2 4.16Å; E788-F1136 HydrophobicContact CG-CB 4.37Å; E788-F1136 HydrophobicContact CG-CD1 4.35Å; E788-F1136 HydrophobicContact CG-CD2 4.12Å; E788-F1136 HydrophobicContact CG-CG 4.01Å; E788-F1136 WeakPolarHBondContact OE1-CB 3.33Å; T1134-F1136 PolarHBondContact O-N 3.1Å; F1136-S1138 VanDerWaalsContact C-N 3.29Å; F1136-S1138 PolarHBondContact O-N 3.27Å; F1136-S1139 PolarHBondContact O-N 3.25Å; F1136-C1140 PolarHBondContact O-N 3.3Å; F1136-C1140 PolarHBondContact O-SG 3.09Å |
| 1137 | L | 90.1 | Very high | 78.8 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.8 | 177.8 | 61.7 | 0 | 0 | 0 | 110.9 | Q667 L703 S1139 C1140 V1141 | Q667-L1137 HydrophobicContact CG-CD2 4Å; L703-L1137 HydrophobicContact CD1-CD1 4.21Å; L703-L1137 HydrophobicContact CD2-CD1 4.18Å; L1137-S1139 VanDerWaalsContact C-N 3.33Å; L1137-S1139 PolarHBondContact O-N 2.99Å; L1137-C1140 WeakPolarHBondContact O-CB 3.36Å; L1137-C1140 PolarHBondContact O-N 3.25Å; L1137-V1141 HydrophobicContact CD1-CG2 4.39Å; L1137-V1141 VanDerWaalsContact O-CG2 3.3Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.43Å; L1137-V1141 PolarHBondContact O-N 3.34Å |
| 1138 | S | 86.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | G1135 F1136 V1141 Q1142 | G1135-S1138 CarbonylContact O-C 3.56Å; G1135-S1138 WeakPolarHBondContact O-CB 3.42Å; G1135-S1138 PolarHBondContact O-N 3.17Å; F1136-S1138 VanDerWaalsContact C-N 3.29Å; F1136-S1138 PolarHBondContact O-N 3.27Å; S1138-V1141 PolarHBondContact O-N 3.11Å; S1138-Q1142 PolarHBondContact O-N 3.04Å |
| 1139 | S | 83.2 | Confident | 82 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | G1135 F1136 L1137 V1141 Q1142 | G1135-S1139 WeakPolarHBondContact O-CB 3.42Å; G1135-S1139 PolarHBondContact O-N 3.36Å; F1136-S1139 PolarHBondContact O-N 3.25Å; L1137-S1139 VanDerWaalsContact C-N 3.33Å; L1137-S1139 PolarHBondContact O-N 2.99Å; S1139-V1141 PolarHBondContact O-N 3.36Å; S1139-Q1142 VanDerWaalsContact O-CB 3.31Å; S1139-Q1142 WeakPolarHBondContact O-CB 3.31Å; S1139-Q1142 PolarHBondContact O-N 2.98Å |
| 1140 | C | 88.6 | Confident | 82.4 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.9 | -65 | 0 | 0 | 0 | 0 | 111.5 | Q699 W700 L703 F1136 L1137 Q1142 S1143 | Q699-C1140 PolarHBondContact NE2-SG 3.43Å; W700-C1140 HydrophobicContact CH2-CB 4.21Å; W700-C1140 HydrophobicContact CZ2-CB 4.08Å; W700-C1140 WeakPolarHBondContact CZ2-O 3.28Å; L703-C1140 HydrophobicContact CD1-CB 3.82Å; F1136-C1140 PolarHBondContact O-N 3.3Å; F1136-C1140 PolarHBondContact O-SG 3.09Å; L1137-C1140 WeakPolarHBondContact O-CB 3.36Å; L1137-C1140 PolarHBondContact O-N 3.25Å; C1140-Q1142 VanDerWaalsContact C-N 3.28Å; C1140-Q1142 PolarHBondContact O-N 3.27Å; C1140-S1143 WeakPolarHBondContact O-CB 3.35Å; C1140-S1143 PolarHBondContact O-N 3.34Å; C1140-S1143 PolarHBondContact O-OG 3.41Å |
| 1141 | V | 89 | Confident | 82 | Confident | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | A623 F660 W700 L1137 S1138 S1139 S1143 F1144 | A623-V1141 HydrophobicContact CB-CG1 4.33Å; F660-V1141 HydrophobicContact CE2-CB 4.46Å; F660-V1141 HydrophobicContact CE2-CG1 4.2Å; F660-V1141 HydrophobicContact CE2-CG2 4.2Å; F660-V1141 HydrophobicContact CZ-CG1 4.26Å; W700-V1141 HydrophobicContact CH2-CG2 3.84Å; L1137-V1141 HydrophobicContact CD1-CG2 4.39Å; L1137-V1141 VanDerWaalsContact O-CG2 3.3Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.43Å; L1137-V1141 PolarHBondContact O-N 3.34Å; S1138-V1141 PolarHBondContact O-N 3.11Å; S1139-V1141 PolarHBondContact O-N 3.36Å; V1141-S1143 PolarHBondContact O-N 3.22Å; V1141-F1144 PolarHBondContact O-N 3.47Å |
| 1142 | Q | 82.6 | Confident | 81.2 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.2 | -33 | 178.5 | -167.2 | 67.5 | 17.7 | 0 | 0 | 112.3 | S1138 S1139 C1140 F1144 K1145 | S1138-Q1142 PolarHBondContact O-N 3.04Å; S1139-Q1142 VanDerWaalsContact O-CB 3.31Å; S1139-Q1142 WeakPolarHBondContact O-CB 3.31Å; S1139-Q1142 PolarHBondContact O-N 2.98Å; C1140-Q1142 VanDerWaalsContact C-N 3.28Å; C1140-Q1142 PolarHBondContact O-N 3.27Å; Q1142-F1144 PolarHBondContact O-N 3.31Å; Q1142-K1145 VanDerWaalsContact O-CB 3.32Å; Q1142-K1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-K1145 PolarHBondContact O-N 3.45Å; Q1142-K1145 VanDerWaalsContact OE1-CD 3.28Å |
| 1143 | S | 80.8 | Confident | 80.1 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -29.6 | 175.9 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | C1140 V1141 K1145 | C1140-S1143 WeakPolarHBondContact O-CB 3.35Å; C1140-S1143 PolarHBondContact O-N 3.34Å; C1140-S1143 PolarHBondContact O-OG 3.41Å; V1141-S1143 PolarHBondContact O-N 3.22Å; S1143-K1145 VanDerWaalsContact C-N 3.33Å |
| 1144 | F | 86.5 | Confident | 79 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -80.1 | -14.7 | 176.1 | -79.8 | -99.4 | 0 | 0 | 0 | 113 | A619 K620 A623 V656 F660 W700 V1141 Q1142 L1146 L1152 | A619-F1144 HydrophobicContact CB-CD1 4.25Å; K620-F1144 VanDerWaalsContact CD-O 3.27Å; K620-F1144 WeakPolarHBondContact CD-O 3.26Å; K620-F1144 WeakPolarHBondContact CE-O 3.45Å; K620-F1144 PolarHBondContact NZ-O 2.85Å; A623-F1144 HydrophobicContact CB-CB 3.86Å; V656-F1144 HydrophobicContact CG1-CZ 3.88Å; F660-F1144 HydrophobicContact CB-CD1 4.23Å; F660-F1144 HydrophobicContact CB-CE1 3.66Å; F660-F1144 HydrophobicContact CB-CE2 4.15Å; F660-F1144 HydrophobicContact CB-CZ 3.61Å; F660-F1144 AromaticContact CD1-CD1 3.83Å; F660-F1144 HydrophobicContact CD1-CD1 3.83Å; F660-F1144 HydrophobicContact CD1-CE1 4.11Å; F660-F1144 HydrophobicContact CD1-CG 4.13Å; F660-F1144 HydrophobicContact CD2-CB 4.41Å; F660-F1144 HydrophobicContact CD2-CD1 4.02Å; F660-F1144 AromaticContact CD2-CD2 3.46Å; F660-F1144 HydrophobicContact CD2-CD2 3.46Å; F660-F1144 VanDerWaalsContact CD2-CD2 3.46Å; F660-F1144 HydrophobicContact CD2-CE1 4.15Å; F660-F1144 AromaticContact CD2-CE2 3.68Å; F660-F1144 HydrophobicContact CD2-CE2 3.68Å; F660-F1144 AromaticContact CD2-CG 3.66Å; F660-F1144 HydrophobicContact CD2-CG 3.66Å; F660-F1144 AromaticContact CD2-CZ 3.99Å; F660-F1144 HydrophobicContact CD2-CZ 3.99Å; F660-F1144 HydrophobicContact CE1-CB 4.34Å; F660-F1144 HydrophobicContact CE1-CD1 4.25Å; F660-F1144 HydrophobicContact CE1-CG 4.23Å; F660-F1144 HydrophobicContact CE2-CB 4Å; F660-F1144 HydrophobicContact CE2-CD1 4.41Å; F660-F1144 AromaticContact CE2-CD2 3.73Å; F660-F1144 HydrophobicContact CE2-CD2 3.73Å; F660-F1144 HydrophobicContact CE2-CE2 4.39Å; F660-F1144 AromaticContact CE2-CG 3.75Å; F660-F1144 HydrophobicContact CE2-CG 3.75Å; F660-F1144 AromaticContact CG-CD1 3.72Å; F660-F1144 HydrophobicContact CG-CD1 3.72Å; F660-F1144 HydrophobicContact CG-CD2 4Å; F660-F1144 AromaticContact CG-CE1 3.68Å; F660-F1144 HydrophobicContact CG-CE1 3.68Å; F660-F1144 HydrophobicContact CG-CE2 4.02Å; F660-F1144 AromaticContact CG-CG 3.87Å; F660-F1144 HydrophobicContact CG-CG 3.87Å; F660-F1144 AromaticContact CG-CZ 3.83Å; F660-F1144 HydrophobicContact CG-CZ 3.83Å; F660-F1144 HydrophobicContact CZ-CB 3.97Å; F660-F1144 HydrophobicContact CZ-CD2 4.48Å; F660-F1144 HydrophobicContact CZ-CG 4.05Å; W700-F1144 HydrophobicContact CD2-CE2 4.38Å; W700-F1144 AromaticContact CE2-CE2 3.42Å; W700-F1144 VanDerWaalsContact CE2-CE2 3.42Å; W700-F1144 AromaticContact CZ2-CD2 3.78Å; W700-F1144 HydrophobicContact CZ2-CD2 3.78Å; W700-F1144 AromaticContact CZ2-CE2 3.59Å; W700-F1144 HydrophobicContact CZ2-CE2 3.59Å; W700-F1144 AromaticContact NE1-CE2 3.2Å; W700-F1144 AromaticContact NE1-CZ 3.79Å; V1141-F1144 PolarHBondContact O-N 3.47Å; Q1142-F1144 PolarHBondContact O-N 3.31Å; F1144-L1146 VanDerWaalsContact C-N 3.33Å; F1144-L1152 HydrophobicContact CE1-CD1 4.42Å |
| 1145 | K | 83.4 | Confident | 77.4 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 21% | 0.213 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.9 | -24.5 | 172.9 | -62.8 | -172.5 | -168 | 160.7 | 0 | 112.1 | G583 P584 A623 V624 Q1142 S1143 | G583-K1145 WeakPolarHBondContact CA-O 3.35Å; P584-K1145 HydrophobicContact CG-CB 3.93Å; P584-K1145 HydrophobicContact CG-CD 3.87Å; P584-K1145 HydrophobicContact CG-CG 4.25Å; A623-K1145 HydrophobicContact CB-CG 3.97Å; A623-K1145 WeakPolarHBondContact O-CE 3.49Å; V624-K1145 HydrophobicContact CG2-CG 4.44Å; Q1142-K1145 VanDerWaalsContact O-CB 3.32Å; Q1142-K1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-K1145 PolarHBondContact O-N 3.45Å; Q1142-K1145 VanDerWaalsContact OE1-CD 3.28Å; S1143-K1145 VanDerWaalsContact C-N 3.33Å |
| 1146 | L | 78.1 | Confident | 75.4 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.1 | 160.7 | 178.8 | -60.3 | 171.2 | 0 | 0 | 0 | 112.2 | E39 K620 F1144 V1148 | E39-L1146 HydrophobicContact CG-CD1 4.46Å; E39-L1146 WeakPolarHBondContact OE1-CD1 3.49Å; E39-L1146 WeakPolarHBondContact OE2-CD1 3.4Å; K620-L1146 PolarHBondContact NZ-O 3.48Å; F1144-L1146 VanDerWaalsContact C-N 3.33Å; L1146-V1148 PolarHBondContact O-N 3.41Å |
| 1147 | P | 80.5 | Confident | 72.7 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | trans | -56.9 | 119.2 | 174.8 | -23.1 | 32.5 | 0 | 0 | 0 | 112.4 | D581 | D581-P1147 VanDerWaalsContact CG-CA 3.48Å; D581-P1147 VanDerWaalsContact O-CA 3.31Å; D581-P1147 WeakPolarHBondContact O-CA 3.1Å; D581-P1147 WeakPolarHBondContact O-CG 3.25Å; D581-P1147 WeakPolarHBondContact OD1-CA 3.22Å; D581-P1147 WeakPolarHBondContact OD2-CA 3.08Å | ||
| 1148 | V | 81.4 | Confident | 69.8 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | trans | -139.7 | 1.8 | -176.9 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | D581 F616 L1146 D1150 L1151 L1152 | D581-V1148 VanDerWaalsContact CG-N 3.32Å; D581-V1148 PolarHBondContact OD1-N 3.47Å; D581-V1148 PolarHBondContact OD2-N 3.21Å; F616-V1148 HydrophobicContact CE2-CG2 4.08Å; F616-V1148 HydrophobicContact CZ-CG2 4.33Å; L1146-V1148 PolarHBondContact O-N 3.41Å; V1148-D1150 PolarHBondContact O-N 2.96Å; V1148-L1151 PolarHBondContact O-N 2.71Å; V1148-L1152 HydrophobicContact CB-CD1 3.84Å; V1148-L1152 HydrophobicContact CG2-CD1 3.68Å; V1148-L1152 WeakPolarHBondContact O-CG 3.37Å; V1148-L1152 PolarHBondContact O-N 3.41Å | ||
| 1149 | I | 77.9 | Confident | 67 | Low | 20 Ų | 20 | 63.2 Ų | 63.2 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | -170.8 | -159.7 | 168.4 | 0 | 0 | 0 | 112.5 | R578 D581 F616 L1151 L1152 L1153 | R578-I1149 HydrophobicContact CG-CD1 3.9Å; D581-I1149 HydrophobicContact CB-CB 4.23Å; D581-I1149 HydrophobicContact CB-CG2 4.39Å; D581-I1149 PolarHBondContact OD1-N 3.19Å; D581-I1149 WeakPolarHBondContact OD2-CB 3.46Å; D581-I1149 WeakPolarHBondContact OD2-CG2 3.45Å; D581-I1149 PolarHBondContact OD2-N 3.4Å; F616-I1149 HydrophobicContact CD1-CD1 4.32Å; F616-I1149 HydrophobicContact CE1-CB 4.2Å; F616-I1149 HydrophobicContact CE1-CD1 3.89Å; F616-I1149 HydrophobicContact CE1-CG1 4Å; F616-I1149 HydrophobicContact CE2-CB 4.04Å; F616-I1149 HydrophobicContact CE2-CG1 4.02Å; F616-I1149 HydrophobicContact CZ-CB 3.57Å; F616-I1149 HydrophobicContact CZ-CD1 4.13Å; F616-I1149 HydrophobicContact CZ-CG1 3.72Å; I1149-L1151 VanDerWaalsContact C-N 3.29Å; I1149-L1151 PolarHBondContact O-N 3Å; I1149-L1152 PolarHBondContact O-N 3.37Å; I1149-L1153 HydrophobicContact CD1-CD1 4.17Å; I1149-L1153 HydrophobicContact CG1-CD1 3.65Å; I1149-L1153 HydrophobicContact CG1-CG 4.29Å; I1149-L1153 PolarHBondContact O-N 3.16Å |
| 1150 | D | 68.1 | Low | 64.4 | Low | 120 Ų | 120 | 65.1 Ų | 65.1 | 64% | 0.642 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.7 | -31.4 | -178.4 | -67 | -25.6 | 0 | 0 | 0 | 111.8 | V1148 L1152 | V1148-D1150 PolarHBondContact O-N 2.96Å; D1150-L1152 VanDerWaalsContact C-N 3.27Å; D1150-L1152 PolarHBondContact O-N 2.93Å |
| 1151 | L | 61.9 | Low | 61.6 | Low | 85 Ų | 85 | 68.8 Ų | 68.8 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72 | -25.7 | 179.7 | -152 | 141.1 | 0 | 0 | 0 | 111.6 | R653 V1148 I1149 | R653-L1151 VanDerWaalsContact CD-O 3.29Å; R653-L1151 WeakPolarHBondContact CD-O 3.43Å; R653-L1151 PolarHBondContact NH1-O 3.3Å; V1148-L1151 PolarHBondContact O-N 2.71Å; I1149-L1151 VanDerWaalsContact C-N 3.29Å; I1149-L1151 PolarHBondContact O-N 3Å |
| 1152 | L | 66.1 | Low | 59 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -110.3 | -28.4 | -169 | -66 | 170.3 | 0 | 0 | 0 | 114.9 | F616 V656 V657 L696 F1144 V1148 I1149 D1150 | F616-L1152 HydrophobicContact CE2-CD1 4.43Å; V656-L1152 HydrophobicContact CB-CD2 4.04Å; V656-L1152 HydrophobicContact CG1-CD2 3.98Å; V657-L1152 HydrophobicContact CG2-CB 4.17Å; V657-L1152 HydrophobicContact CG2-CD1 3.98Å; V657-L1152 HydrophobicContact CG2-CD2 4.46Å; V657-L1152 HydrophobicContact CG2-CG 4.43Å; L696-L1152 HydrophobicContact CD2-CD2 4.46Å; F1144-L1152 HydrophobicContact CE1-CD1 4.42Å; V1148-L1152 HydrophobicContact CB-CD1 3.84Å; V1148-L1152 HydrophobicContact CG2-CD1 3.68Å; V1148-L1152 WeakPolarHBondContact O-CG 3.37Å; V1148-L1152 PolarHBondContact O-N 3.41Å; I1149-L1152 PolarHBondContact O-N 3.37Å; D1150-L1152 VanDerWaalsContact C-N 3.27Å; D1150-L1152 PolarHBondContact O-N 2.93Å |
| 1153 | L | 63.9 | Low | 56.9 | Low | 43 Ų | 43 | 74 Ų | 74 | 23% | 0.225 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -112.3 | -18.3 | -171.7 | -64 | -176.2 | 0 | 0 | 0 | 115.7 | P612 F616 I1149 E1155 | P612-L1153 HydrophobicContact CB-CD2 4.03Å; F616-L1153 HydrophobicContact CB-CD1 4.4Å; F616-L1153 HydrophobicContact CD2-CD1 4.24Å; F616-L1153 HydrophobicContact CG-CD1 4.28Å; I1149-L1153 HydrophobicContact CD1-CD1 4.17Å; I1149-L1153 HydrophobicContact CG1-CD1 3.65Å; I1149-L1153 HydrophobicContact CG1-CG 4.29Å; I1149-L1153 PolarHBondContact O-N 3.16Å; L1153-E1155 PolarHBondContact O-N 3.49Å |
| 1154 | S | 58.8 | Low | 54.6 | Low | 74 Ų | 74 | 82 Ų | 82 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | trans | -77 | 120.6 | -179.4 | -64 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1155 | E | 46.3 | Very low | 52.3 | Low | 153 Ų | 153 | 84.5 Ų | 84.5 | 72% | 0.715 | 48% | 0.484 | S | S | * | . | trans | -86 | -3 | -179 | -70.8 | -164.3 | 164.4 | 0 | 0 | 114.2 | Q654 L1153 S1157 | Q654-E1155 PolarHBondContact NE2-OE1 3.33Å; L1153-E1155 PolarHBondContact O-N 3.49Å; E1155-S1157 PolarHBondContact O-N 3.16Å | ||
| 1156 | E | 41.4 | Very low | 50.4 | Low | 174 Ų | 174 | 84.6 Ų | 84.6 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | trans | -85 | 110.8 | -169.8 | -69 | -165.5 | 164 | 0 | 0 | 114.3 | ||||
| 1157 | S | 31 | Very low | 49.2 | Very low | 102 Ų | 102 | 86.1 Ų | 86.1 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | trans | 47.3 | 93 | 137.8 | -17.6 | 0 | 0 | 0 | 0 | 118.1 | E1155 S1159 | E1155-S1157 PolarHBondContact O-N 3.16Å; S1157-S1159 PolarHBondContact O-N 3.07Å | ||
| 1158 | G | 29.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 86.2 Ų | 86.2 | 100% | 1.021 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 59.4 | 0.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1159 | S | 27.1 | Very low | 46.7 | Very low | 71 Ų | 71 | 86 Ų | 86 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | trans | -122.8 | 104.6 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 105.5 | S1157 T1161 | S1157-S1159 PolarHBondContact O-N 3.07Å; S1159-T1161 PolarHBondContact O-N 2.64Å | ||
| 1160 | T | 28.6 | Very low | 46 | Very low | 112 Ų | 112 | 87.9 Ų | 87.9 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | trans | -55.3 | 87.1 | 162.2 | 37.2 | 0 | 0 | 0 | 0 | 108.3 | L1162 | T1160-L1162 PolarHBondContact O-N 2.75Š| ||
| 1161 | T | 30.3 | Very low | 45.8 | Very low | 82 Ų | 82 | 86.7 Ų | 86.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | trans | -77.3 | 73.7 | 157.8 | 59.2 | 0 | 0 | 0 | 0 | 107.1 | S1159 R1164 | S1159-T1161 PolarHBondContact O-N 2.64Å; T1161-R1164 HydrophobicContact CG2-CG 4.02Å | ||
| 1162 | L | 35.1 | Very low | 46.1 | Very low | 73 Ų | 73 | 88.9 Ų | 88.9 | 38% | 0.382 | 52% | 0.515 | S | S | . | . | S | Bend | -48 | 139.1 | 124.6 | -83.7 | 152.3 | 0 | 0 | 0 | 105.3 | T1160 R1164 | T1160-L1162 PolarHBondContact O-N 2.75Å; L1162-R1164 PolarHBondContact O-N 3.25Å | |
| 1163 | P | 37.8 | Very low | 46.6 | Very low | 75 Ų | 75 | 90.8 Ų | 90.8 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | trans | -38.2 | 123.3 | -173.2 | -26.3 | 32.4 | 0 | 0 | 0 | 109.1 | T1165 E1166 | P1163-T1165 VanDerWaalsContact CB-OG1 3.22Å; P1163-T1165 WeakPolarHBondContact CB-OG1 3.34Å; P1163-T1165 PolarHBondContact O-N 3.19Å; P1163-E1166 PolarHBondContact O-N 3.19Å | ||
| 1164 | R | 33.5 | Very low | 47.1 | Very low | 209 Ų | 209 | 90.1 Ų | 90.1 | 79% | 0.789 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -4.8 | -174.5 | -92.9 | -178.5 | 169.2 | 169.9 | -2.7 | 113.8 | T1161 L1162 | T1161-R1164 HydrophobicContact CG2-CG 4.02Å; L1162-R1164 PolarHBondContact O-N 3.25Å |
| 1165 | T | 37.6 | Very low | 47.9 | Very low | 59 Ų | 59 | 90.8 Ų | 90.8 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -26.6 | 170.4 | 32.3 | 0 | 0 | 0 | 0 | 115.3 | P1163 Q1167 D1293 | P1163-T1165 VanDerWaalsContact CB-OG1 3.22Å; P1163-T1165 WeakPolarHBondContact CB-OG1 3.34Å; P1163-T1165 PolarHBondContact O-N 3.19Å; T1165-Q1167 PolarHBondContact O-N 3.46Å; T1165-D1293 WeakPolarHBondContact CB-OD2 3.42Å; T1165-D1293 WeakPolarHBondContact CG2-OD2 3.41Å |
| 1166 | E | 43.3 | Very low | 49.4 | Very low | 51 Ų | 51 | 86.6 Ų | 86.6 | 24% | 0.238 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.1 | -164.1 | -74.9 | -163.8 | 163.3 | 0 | 0 | 117.8 | K35 P1163 | K35-E1166 VanDerWaalsContact CE-OE1 3.28Å; K35-E1166 WeakPolarHBondContact CE-OE1 3.49Å; K35-E1166 IonicContact NZ-OE1 3.2Å; K35-E1166 PolarHBondContact NZ-OE1 3.24Å; K35-E1166 IonicContact NZ-OE2 2.76Å; K35-E1166 PolarHBondContact NZ-OE2 3.28Å; P1163-E1166 PolarHBondContact O-N 3.19Å |
| 1167 | Q | 52.5 | Low | 51.2 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 39% | 0.388 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144 | 17.3 | -175.4 | -68.4 | -176.5 | -21.6 | 0 | 0 | 116 | P25 T1165 | P25-Q1167 HydrophobicContact CB-CB 3.52Å; P25-Q1167 HydrophobicContact CB-CG 4.32Å; T1165-Q1167 PolarHBondContact O-N 3.46Å |
| 1168 | T | 50.7 | Low | 53.5 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -100.7 | 115.8 | 162.2 | 29.3 | 0 | 0 | 0 | 0 | 107.8 | S1170 | T1168-S1170 PolarHBondContact O-N 2.92Š|
| 1169 | L | 59.6 | Low | 56 | Low | 25 Ų | 25 | 75.3 Ų | 75.3 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | trans | -45.5 | 132.4 | 163.4 | -113.3 | 94.5 | 0 | 0 | 0 | 108.1 | L26 S1171 R1173 L1177 F1267 T1268 | L26-L1169 HydrophobicContact CD1-CD1 3.6Å; L1169-S1171 PolarHBondContact O-N 3.36Å; L1169-R1173 HydrophobicContact CD2-CB 3.92Å; L1169-R1173 HydrophobicContact CD2-CG 3.69Å; L1169-L1177 HydrophobicContact CD2-CD1 3.46Å; L1169-L1177 VanDerWaalsContact CD2-CD1 3.46Å; L1169-F1267 HydrophobicContact CD1-CB 3.8Å; L1169-F1267 HydrophobicContact CD2-CB 4.38Å; L1169-T1268 HydrophobicContact CD1-CG2 3.7Å | ||
| 1170 | S | 62.1 | Low | 58.7 | Low | 60 Ų | 60 | 72.3 Ų | 72.3 | 42% | 0.42 | 39% | 0.392 | S | S | . | . | trans | -51.3 | 140.9 | 175.2 | 68.7 | 0 | 0 | 0 | 0 | 109.5 | T1168 L1172 R1173 M1174 | T1168-S1170 PolarHBondContact O-N 2.92Å; S1170-L1172 PolarHBondContact O-N 3.41Å; S1170-L1172 VanDerWaalsContact O-N 3.09Å; S1170-R1173 PolarHBondContact O-N 3.46Å; S1170-R1173 WeakPolarHBondContact OG-CB 3.35Å; S1170-R1173 PolarHBondContact OG-N 3.41Å; S1170-M1174 PolarHBondContact O-N 3.48Å | ||
| 1171 | S | 65.7 | Low | 61.2 | Low | 95 Ų | 95 | 67.5 Ų | 67.5 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -51.5 | -37.9 | -177.8 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | L1169 M1174 D1175 | L1169-S1171 PolarHBondContact O-N 3.36Å; S1171-M1174 WeakPolarHBondContact O-CB 3.19Å; S1171-M1174 PolarHBondContact O-N 3.05Å; S1171-D1175 VanDerWaalsContact O-CG 3.29Å; S1171-D1175 PolarHBondContact O-N 3.2Å |
| 1172 | L | 67.9 | Low | 63.6 | Low | 131 Ų | 131 | 68.6 Ų | 68.6 | 69% | 0.686 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 175.1 | -167.8 | 77.6 | 0 | 0 | 0 | 113.3 | S1170 M1174 D1175 T1176 | S1170-L1172 PolarHBondContact O-N 3.41Å; S1170-L1172 VanDerWaalsContact O-N 3.09Å; L1172-M1174 VanDerWaalsContact C-N 3.35Å; L1172-D1175 PolarHBondContact O-N 2.93Å; L1172-T1176 PolarHBondContact O-N 3.49Å; L1172-T1176 PolarHBondContact O-OG1 3.49Å |
| 1173 | R | 75.2 | Confident | 66 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.5 | -35.2 | -179 | -164.6 | 171.8 | 178.2 | 84.6 | 4.6 | 111.1 | L1169 S1170 T1176 L1177 D1219 F1267 | L1169-R1173 HydrophobicContact CD2-CB 3.92Å; L1169-R1173 HydrophobicContact CD2-CG 3.69Å; S1170-R1173 PolarHBondContact O-N 3.46Å; S1170-R1173 WeakPolarHBondContact OG-CB 3.35Å; S1170-R1173 PolarHBondContact OG-N 3.41Å; R1173-T1176 PolarHBondContact O-N 3.37Å; R1173-L1177 PolarHBondContact O-N 2.83Å; R1173-D1219 IonicContact CZ-OD1 3.8Å; R1173-D1219 IonicContact CZ-OD2 3.46Å; R1173-D1219 IonicContact NH1-OD1 3.16Å; R1173-D1219 PolarHBondContact NH1-OD1 3.03Å; R1173-D1219 IonicContact NH1-OD2 3.71Å; R1173-D1219 PolarHBondContact NH1-OD2 3.02Å; R1173-D1219 IonicContact NH2-OD1 3.42Å; R1173-D1219 IonicContact NH2-OD2 3.81Å; R1173-D1219 PolarHBondContact NH2-OD2 3.23Å; R1173-F1267 PolarHBondContact NE-O 3.17Å |
| 1174 | M | 74.9 | Confident | 68.3 | Low | 29 Ų | 29 | 62.1 Ų | 62.1 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 170.6 | 172.8 | 68.6 | 91.6 | 0 | 0 | 111.9 | L20 S1170 S1171 L1172 T1176 L1177 R1178 | L20-M1174 HydrophobicContact CB-CE 3.56Å; L20-M1174 HydrophobicContact CB-SD 3.7Å; L20-M1174 HydrophobicContact CD1-SD 4.03Å; L20-M1174 HydrophobicContact CD2-CE 3.31Å; L20-M1174 HydrophobicContact CD2-SD 3.45Å; L20-M1174 WeakPolarHBondContact CD2-SD 3.5Å; L20-M1174 HydrophobicContact CG-CE 3.95Å; L20-M1174 HydrophobicContact CG-SD 3.88Å; L20-M1174 VanDerWaalsContact O-CE 3.29Å; L20-M1174 WeakPolarHBondContact O-CE 3.48Å; S1170-M1174 PolarHBondContact O-N 3.48Å; S1171-M1174 WeakPolarHBondContact O-CB 3.19Å; S1171-M1174 PolarHBondContact O-N 3.05Å; L1172-M1174 VanDerWaalsContact C-N 3.35Å; M1174-T1176 VanDerWaalsContact C-N 3.32Å; M1174-T1176 PolarHBondContact O-N 3.37Å; M1174-L1177 WeakPolarHBondContact O-CB 3.4Å; M1174-L1177 PolarHBondContact O-N 3.28Å; M1174-R1178 PolarHBondContact O-N 2.86Å |
| 1175 | D | 74.7 | Confident | 70.6 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.9 | -70.4 | -22.8 | 0 | 0 | 0 | 111.7 | S1171 L1172 L1177 R1178 A1179 | S1171-D1175 VanDerWaalsContact O-CG 3.29Å; S1171-D1175 PolarHBondContact O-N 3.2Å; L1172-D1175 PolarHBondContact O-N 2.93Å; D1175-L1177 PolarHBondContact O-N 3.29Å; D1175-R1178 PolarHBondContact O-N 3.39Å; D1175-R1178 IonicContact OD1-NH1 2.65Å; D1175-R1178 PolarHBondContact OD1-NH1 3.36Å; D1175-A1179 PolarHBondContact O-N 3.09Å |
| 1176 | T | 79.3 | Confident | 72.9 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | L1172 R1173 M1174 A1179 T1180 | L1172-T1176 PolarHBondContact O-N 3.49Å; L1172-T1176 PolarHBondContact O-OG1 3.49Å; R1173-T1176 PolarHBondContact O-N 3.37Å; M1174-T1176 VanDerWaalsContact C-N 3.32Å; M1174-T1176 PolarHBondContact O-N 3.37Å; T1176-A1179 PolarHBondContact O-N 3.47Å; T1176-T1180 WeakPolarHBondContact O-CB 3.41Å; T1176-T1180 PolarHBondContact O-N 3.13Å; T1176-T1180 PolarHBondContact O-OG1 3.11Å |
| 1177 | L | 79.2 | Confident | 75 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.8 | -83.1 | 166.7 | 0 | 0 | 0 | 112.1 | L1169 R1173 M1174 D1175 A1179 T1180 I1181 A1218 F1267 M1516 | L1169-L1177 HydrophobicContact CD2-CD1 3.46Å; L1169-L1177 VanDerWaalsContact CD2-CD1 3.46Å; R1173-L1177 PolarHBondContact O-N 2.83Å; M1174-L1177 WeakPolarHBondContact O-CB 3.4Å; M1174-L1177 PolarHBondContact O-N 3.28Å; D1175-L1177 PolarHBondContact O-N 3.29Å; L1177-A1179 PolarHBondContact O-N 3.15Å; L1177-T1180 WeakPolarHBondContact O-CB 3.29Å; L1177-T1180 PolarHBondContact O-N 2.85Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.42Å; L1177-I1181 PolarHBondContact O-N 3.06Å; L1177-A1218 HydrophobicContact CD2-CB 3.82Å; L1177-A1218 HydrophobicContact CG-CB 4.2Å; L1177-F1267 HydrophobicContact CD1-CD1 3.78Å; L1177-F1267 HydrophobicContact CD1-CE1 4.28Å; L1177-F1267 HydrophobicContact CD1-CG 4.47Å; L1177-F1267 HydrophobicContact CD2-CD1 3.75Å; L1177-F1267 HydrophobicContact CD2-CE1 3.57Å; L1177-F1267 HydrophobicContact CG-CD1 4.38Å; L1177-M1516 HydrophobicContact CD2-CE 4.12Å; L1177-M1516 HydrophobicContact CD2-SD 4.06Å |
| 1178 | R | 78.5 | Confident | 76.7 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 177.7 | -70.4 | 179.1 | -172.9 | 135 | -3 | 111.5 | M1174 D1175 T1180 I1181 D1182 | M1174-R1178 PolarHBondContact O-N 2.86Å; D1175-R1178 PolarHBondContact O-N 3.39Å; D1175-R1178 IonicContact OD1-NH1 2.65Å; D1175-R1178 PolarHBondContact OD1-NH1 3.36Å; R1178-T1180 VanDerWaalsContact C-N 3.26Å; R1178-T1180 PolarHBondContact O-N 3.02Å; R1178-I1181 PolarHBondContact O-N 2.87Å; R1178-D1182 PolarHBondContact O-N 3.07Å |
| 1179 | A | 82.8 | Confident | 78.4 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D1175 T1176 L1177 D1182 H1183 P1539 | D1175-A1179 PolarHBondContact O-N 3.09Å; T1176-A1179 PolarHBondContact O-N 3.47Å; L1177-A1179 PolarHBondContact O-N 3.15Å; A1179-D1182 PolarHBondContact O-N 3.1Å; A1179-H1183 WeakPolarHBondContact O-CB 3.41Å; A1179-H1183 PolarHBondContact O-N 2.88Å; A1179-P1539 HydrophobicContact CB-CB 4.27Å |
| 1180 | T | 82.8 | Confident | 79.7 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | T1176 L1177 R1178 H1183 C1184 M1516 Q1517 | T1176-T1180 WeakPolarHBondContact O-CB 3.41Å; T1176-T1180 PolarHBondContact O-N 3.13Å; T1176-T1180 PolarHBondContact O-OG1 3.11Å; L1177-T1180 WeakPolarHBondContact O-CB 3.29Å; L1177-T1180 PolarHBondContact O-N 2.85Å; R1178-T1180 VanDerWaalsContact C-N 3.26Å; R1178-T1180 PolarHBondContact O-N 3.02Å; T1180-H1183 PolarHBondContact O-N 2.82Å; T1180-C1184 PolarHBondContact O-N 2.98Å; T1180-M1516 HydrophobicContact CG2-CB 4.46Å; T1180-Q1517 HydrophobicContact CG2-CG 4.15Å |
| 1181 | I | 80.9 | Confident | 80.9 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 175.7 | -67 | 172.4 | 0 | 0 | 0 | 110.8 | M14 L16 L1177 R1178 H1183 C1184 H1185 M1516 | M14-I1181 HydrophobicContact CB-CD1 4.38Å; M14-I1181 HydrophobicContact CB-CG2 4.18Å; M14-I1181 HydrophobicContact CE-CG2 4.4Å; M14-I1181 HydrophobicContact CG-CG2 3.93Å; M14-I1181 HydrophobicContact SD-CB 4.19Å; M14-I1181 HydrophobicContact SD-CD1 4.28Å; M14-I1181 HydrophobicContact SD-CG1 3.69Å; M14-I1181 HydrophobicContact SD-CG2 3.78Å; L16-I1181 HydrophobicContact CB-CD1 4.42Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.42Å; L1177-I1181 PolarHBondContact O-N 3.06Å; R1178-I1181 PolarHBondContact O-N 2.87Å; I1181-H1183 VanDerWaalsContact C-N 3.3Å; I1181-H1183 PolarHBondContact O-N 2.77Å; I1181-C1184 VanDerWaalsContact O-CB 3.23Å; I1181-C1184 WeakPolarHBondContact O-CB 3.23Å; I1181-C1184 PolarHBondContact O-N 2.85Å; I1181-C1184 VanDerWaalsContact O-N 3.15Å; I1181-H1185 PolarHBondContact O-CD2 3.49Å; I1181-H1185 PolarHBondContact O-N 3.47Å; I1181-M1516 HydrophobicContact CB-CE 4.47Å; I1181-M1516 HydrophobicContact CD1-CE 3.59Å; I1181-M1516 HydrophobicContact CG1-CE 3.1Å |
| 1182 | D | 81.8 | Confident | 81.7 | Confident | 106 Ų | 106 | 46.6 Ų | 46.6 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.4 | -43.4 | -179.1 | -70.1 | -21.6 | 0 | 0 | 0 | 110.4 | R1178 A1179 C1184 H1185 E1186 | R1178-D1182 PolarHBondContact O-N 3.07Å; A1179-D1182 PolarHBondContact O-N 3.1Å; D1182-C1184 VanDerWaalsContact C-N 3.31Å; D1182-C1184 PolarHBondContact O-N 3.21Å; D1182-H1185 PolarHBondContact O-N 3.41Å; D1182-E1186 PolarHBondContact O-N 3.43Å |
| 1183 | H | 84.5 | Confident | 82.5 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | 175.6 | -168.6 | 65.6 | 0 | 0 | 0 | 112.7 | A1179 T1180 I1181 H1185 E1186 Q1187 A1537 P1539 | A1179-H1183 WeakPolarHBondContact O-CB 3.41Å; A1179-H1183 PolarHBondContact O-N 2.88Å; T1180-H1183 PolarHBondContact O-N 2.82Å; I1181-H1183 VanDerWaalsContact C-N 3.3Å; I1181-H1183 PolarHBondContact O-N 2.77Å; H1183-H1185 VanDerWaalsContact C-N 3.3Å; H1183-H1185 PolarHBondContact O-N 2.76Å; H1183-E1186 IonicContact ND1-OE2 3.48Å; H1183-E1186 WeakPolarHBondContact O-CB 3.45Å; H1183-E1186 PolarHBondContact O-N 3.06Å; H1183-E1186 VanDerWaalsContact O-N 3.17Å; H1183-Q1187 PolarHBondContact CD2-NE2 3.43Å; H1183-Q1187 PolarHBondContact NE2-NE2 2.73Å; H1183-Q1187 WeakPolarHBondContact O-CG 3.5Å; H1183-Q1187 PolarHBondContact O-N 3.2Å; H1183-A1537 PolarHBondContact CE1-O 2.95Å; H1183-P1539 HydrophobicContact CB-CB 4.49Å; H1183-P1539 HydrophobicContact CB-CG 4.21Å |
| 1184 | C | 86.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 176.4 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | M14 T1180 I1181 D1182 Q1187 W1188 M1516 | M14-C1184 HydrophobicContact CE-CB 3.85Å; T1180-C1184 PolarHBondContact O-N 2.98Å; I1181-C1184 VanDerWaalsContact O-CB 3.23Å; I1181-C1184 WeakPolarHBondContact O-CB 3.23Å; I1181-C1184 PolarHBondContact O-N 2.85Å; I1181-C1184 VanDerWaalsContact O-N 3.15Å; D1182-C1184 VanDerWaalsContact C-N 3.31Å; D1182-C1184 PolarHBondContact O-N 3.21Å; C1184-Q1187 PolarHBondContact O-N 3.37Å; C1184-W1188 WeakPolarHBondContact O-CB 3.45Å; C1184-W1188 PolarHBondContact O-N 3.25Å; C1184-M1516 WeakPolarHBondContact CB-O 3.5Å; C1184-M1516 VanDerWaalsContact SG-C 3.52Å; C1184-M1516 PolarHBondContact SG-O 2.89Å |
| 1185 | H | 82.9 | Confident | 82.8 | Confident | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.218 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.7 | -74.8 | -71.9 | 0 | 0 | 0 | 112.2 | T12 I1181 D1182 H1183 W1188 N1189 | T12-H1185 PolarHBondContact O-CE1 2.67Å; T12-H1185 VanDerWaalsContact O-CE1 3.23Å; T12-H1185 PolarHBondContact O-NE2 3.27Å; I1181-H1185 PolarHBondContact O-CD2 3.49Å; I1181-H1185 PolarHBondContact O-N 3.47Å; D1182-H1185 PolarHBondContact O-N 3.41Å; H1183-H1185 VanDerWaalsContact C-N 3.3Å; H1183-H1185 PolarHBondContact O-N 2.76Å; H1185-W1188 PolarHBondContact O-N 3.4Å; H1185-N1189 VanDerWaalsContact O-CG 3.25Å; H1185-N1189 PolarHBondContact O-N 2.72Å; H1185-N1189 PolarHBondContact O-ND2 3.15Å; H1185-N1189 VanDerWaalsContact O-ND2 3.14Å |
| 1186 | E | 85.7 | Confident | 83.1 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.3 | -65.2 | -175.8 | 161.5 | 0 | 0 | 111.3 | D1182 H1183 W1188 N1189 A1190 | D1182-E1186 PolarHBondContact O-N 3.43Å; H1183-E1186 IonicContact ND1-OE2 3.48Å; H1183-E1186 WeakPolarHBondContact O-CB 3.45Å; H1183-E1186 PolarHBondContact O-N 3.06Å; H1183-E1186 VanDerWaalsContact O-N 3.17Å; E1186-W1188 PolarHBondContact O-N 3.09Å; E1186-N1189 PolarHBondContact O-N 3.03Å; E1186-A1190 PolarHBondContact O-N 3.23Å |
| 1187 | Q | 87.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.3 | -65.1 | -175.5 | -29.3 | 0 | 0 | 112.4 | H1183 C1184 N1189 A1190 L1191 V1518 L1534 L1536 | H1183-Q1187 PolarHBondContact CD2-NE2 3.43Å; H1183-Q1187 PolarHBondContact NE2-NE2 2.73Å; H1183-Q1187 WeakPolarHBondContact O-CG 3.5Å; H1183-Q1187 PolarHBondContact O-N 3.2Å; C1184-Q1187 PolarHBondContact O-N 3.37Å; Q1187-N1189 PolarHBondContact O-N 3.38Å; Q1187-A1190 PolarHBondContact O-N 3.48Å; Q1187-L1191 WeakPolarHBondContact O-CB 3.42Å; Q1187-L1191 PolarHBondContact O-N 3.19Å; Q1187-V1518 HydrophobicContact CB-CG2 3.4Å; Q1187-V1518 VanDerWaalsContact CB-CG2 3.4Å; Q1187-V1518 HydrophobicContact CG-CG2 4.23Å; Q1187-L1534 HydrophobicContact CB-CD1 4.11Å; Q1187-L1534 WeakPolarHBondContact O-CD1 3.34Å; Q1187-L1536 HydrophobicContact CB-CD1 4.08Å; Q1187-L1536 HydrophobicContact CG-CD1 3.71Å |
| 1188 | W | 86.8 | Confident | 83.7 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 173.5 | 166.4 | -105.4 | 0 | 0 | 0 | 111.8 | C1184 H1185 E1186 A1190 L1191 A1192 L1469 P1470 M1471 L1491 | C1184-W1188 WeakPolarHBondContact O-CB 3.45Å; C1184-W1188 PolarHBondContact O-N 3.25Å; H1185-W1188 PolarHBondContact O-N 3.4Å; E1186-W1188 PolarHBondContact O-N 3.09Å; W1188-A1190 PolarHBondContact O-N 3.14Å; W1188-L1191 PolarHBondContact O-N 2.92Å; W1188-A1192 VanDerWaalsContact O-CB 3.31Å; W1188-A1192 WeakPolarHBondContact O-CB 3.33Å; W1188-A1192 PolarHBondContact O-N 3.41Å; W1188-L1469 HydrophobicContact CB-CD1 3.98Å; W1188-L1469 HydrophobicContact CB-CD2 4.17Å; W1188-L1469 HydrophobicContact CD2-CD1 4.38Å; W1188-L1469 HydrophobicContact CD2-CD2 4.18Å; W1188-L1469 HydrophobicContact CE3-CB 4.17Å; W1188-L1469 HydrophobicContact CE3-CD1 4.03Å; W1188-L1469 HydrophobicContact CE3-CD2 4.47Å; W1188-L1469 HydrophobicContact CE3-CG 4.47Å; W1188-L1469 HydrophobicContact CG-CD1 4.39Å; W1188-L1469 HydrophobicContact CG-CD2 4.04Å; W1188-L1469 HydrophobicContact CZ3-CB 4.37Å; W1188-P1470 HydrophobicContact CH2-CG 3.69Å; W1188-P1470 HydrophobicContact CZ2-CG 3.69Å; W1188-M1471 HydrophobicContact CE3-CE 3.3Å; W1188-M1471 HydrophobicContact CZ3-CB 4Å; W1188-M1471 HydrophobicContact CZ3-CE 3.27Å; W1188-M1471 HydrophobicContact CZ3-CG 4.2Å; W1188-L1491 HydrophobicContact CH2-CD1 4.42Å; W1188-L1491 HydrophobicContact CZ3-CD1 4.17Å |
| 1189 | N | 86.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | -179.5 | -69.9 | -30.6 | 0 | 0 | 0 | 111.4 | H1185 E1186 Q1187 L1191 A1192 N1193 | H1185-N1189 VanDerWaalsContact O-CG 3.25Å; H1185-N1189 PolarHBondContact O-N 2.72Å; H1185-N1189 PolarHBondContact O-ND2 3.15Å; H1185-N1189 VanDerWaalsContact O-ND2 3.14Å; E1186-N1189 PolarHBondContact O-N 3.03Å; Q1187-N1189 PolarHBondContact O-N 3.38Å; N1189-L1191 VanDerWaalsContact C-N 3.32Å; N1189-L1191 PolarHBondContact O-N 3.36Å; N1189-A1192 PolarHBondContact O-N 3.04Å; N1189-N1193 WeakPolarHBondContact O-CB 3.29Å; N1189-N1193 VanDerWaalsContact O-CG 3.26Å; N1189-N1193 PolarHBondContact O-N 3.47Å; N1189-N1193 PolarHBondContact O-ND2 3.05Å |
| 1190 | A | 86.8 | Confident | 84.4 | Confident | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1186 Q1187 W1188 K1194 D1195 L1536 | E1186-A1190 PolarHBondContact O-N 3.23Å; Q1187-A1190 PolarHBondContact O-N 3.48Å; W1188-A1190 PolarHBondContact O-N 3.14Å; A1190-K1194 PolarHBondContact O-N 2.76Å; A1190-D1195 PolarHBondContact O-N 3.18Å; A1190-L1536 HydrophobicContact CB-CD1 3.94Å |
| 1191 | L | 87 | Confident | 84.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 177 | -172.3 | 70.9 | 0 | 0 | 0 | 112.2 | Q1187 W1188 N1189 N1193 K1194 Y1198 M1471 V1483 L1491 A1492 L1534 | Q1187-L1191 WeakPolarHBondContact O-CB 3.42Å; Q1187-L1191 PolarHBondContact O-N 3.19Å; W1188-L1191 PolarHBondContact O-N 2.92Å; N1189-L1191 VanDerWaalsContact C-N 3.32Å; N1189-L1191 PolarHBondContact O-N 3.36Å; L1191-N1193 VanDerWaalsContact C-N 3.27Å; L1191-N1193 PolarHBondContact O-N 2.76Å; L1191-K1194 PolarHBondContact O-N 3.44Å; L1191-Y1198 HydrophobicContact CD1-CD2 4.09Å; L1191-Y1198 HydrophobicContact CD1-CE2 3.58Å; L1191-Y1198 HydrophobicContact CD2-CE2 4.18Å; L1191-M1471 HydrophobicContact CD2-CE 3.42Å; L1191-M1471 VanDerWaalsContact CD2-CE 3.42Å; L1191-V1483 HydrophobicContact CD2-CG1 4.22Å; L1191-L1491 HydrophobicContact CD2-CD1 4.32Å; L1191-L1491 HydrophobicContact CG-CB 4.39Å; L1191-A1492 HydrophobicContact CD1-CB 3.99Å; L1191-L1534 HydrophobicContact CB-CD1 4.12Å; L1191-L1534 HydrophobicContact CD1-CD2 4.2Å |
| 1192 | A | 84.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1188 N1189 K1194 | W1188-A1192 VanDerWaalsContact O-CB 3.31Å; W1188-A1192 WeakPolarHBondContact O-CB 3.33Å; W1188-A1192 PolarHBondContact O-N 3.41Å; N1189-A1192 PolarHBondContact O-N 3.04Å; A1192-K1194 VanDerWaalsContact C-N 3.28Å; A1192-K1194 PolarHBondContact O-N 2.88Å |
| 1193 | N | 84.3 | Confident | 85.3 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.9 | 175.6 | -67.2 | -20.7 | 0 | 0 | 0 | 113.8 | N1189 L1191 D1195 | N1189-N1193 WeakPolarHBondContact O-CB 3.29Å; N1189-N1193 VanDerWaalsContact O-CG 3.26Å; N1189-N1193 PolarHBondContact O-N 3.47Å; N1189-N1193 PolarHBondContact O-ND2 3.05Å; L1191-N1193 VanDerWaalsContact C-N 3.27Å; L1191-N1193 PolarHBondContact O-N 2.76Å; N1193-D1195 VanDerWaalsContact C-N 3.26Å; N1193-D1195 WeakPolarHBondContact CB-OD2 3.43Å; N1193-D1195 PolarHBondContact ND2-OD2 3.18Å; N1193-D1195 PolarHBondContact O-N 3.3Å |
| 1194 | K | 80.2 | Confident | 85.6 | Confident | 125 Ų | 125 | 56.6 Ų | 56.6 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.4 | -172.6 | -54.3 | -173.5 | 173.8 | -165.9 | 0 | 113.4 | A1190 L1191 A1192 T1490 L1491 | A1190-K1194 PolarHBondContact O-N 2.76Å; L1191-K1194 PolarHBondContact O-N 3.44Å; A1192-K1194 VanDerWaalsContact C-N 3.28Å; A1192-K1194 PolarHBondContact O-N 2.88Å; K1194-T1490 WeakPolarHBondContact CE-O 3.43Å; K1194-T1490 PolarHBondContact NZ-O 2.9Å; K1194-L1491 WeakPolarHBondContact CE-O 3.41Å |
| 1195 | D | 76.4 | Confident | 85.7 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | trans | -76.1 | -30.9 | -178.1 | -66.9 | -32.8 | 0 | 0 | 0 | 112.3 | A1190 N1193 | A1190-D1195 PolarHBondContact O-N 3.18Å; N1193-D1195 VanDerWaalsContact C-N 3.26Å; N1193-D1195 WeakPolarHBondContact CB-OD2 3.43Å; N1193-D1195 PolarHBondContact ND2-OD2 3.18Å; N1193-D1195 PolarHBondContact O-N 3.3Å | ||
| 1196 | Q | 79.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -132.8 | 133.9 | -176.7 | -72.2 | -69.5 | -20.1 | 0 | 0 | 111.4 | L1534 | Q1196-L1534 HydrophobicContact CB-CD2 4.29Š|
| 1197 | P | 83.4 | Confident | 85.6 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | trans | -79.3 | 156.5 | 170.7 | 33.3 | -33.5 | 0 | 0 | 0 | 111.5 | N1199 | P1197-N1199 PolarHBondContact O-ND2 3.25Å; P1197-N1199 VanDerWaalsContact O-ND2 3.13Å | ||
| 1198 | Y | 88.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135 | 165.9 | -86.4 | -82.2 | 0 | 0 | 0 | 110.8 | L1191 V1483 A1492 I1494 V1518 L1520 L1534 | L1191-Y1198 HydrophobicContact CD1-CD2 4.09Å; L1191-Y1198 HydrophobicContact CD1-CE2 3.58Å; L1191-Y1198 HydrophobicContact CD2-CE2 4.18Å; Y1198-V1483 HydrophobicContact CD2-CG2 4.48Å; Y1198-V1483 HydrophobicContact CE2-CB 4.38Å; Y1198-V1483 HydrophobicContact CE2-CG2 3.78Å; Y1198-A1492 HydrophobicContact CD2-CB 3.69Å; Y1198-A1492 HydrophobicContact CE2-CB 3.97Å; Y1198-I1494 HydrophobicContact CD1-CD1 4.13Å; Y1198-I1494 HydrophobicContact CD2-CD1 3.98Å; Y1198-I1494 HydrophobicContact CD2-CG1 4.26Å; Y1198-I1494 HydrophobicContact CG-CD1 3.72Å; Y1198-I1494 HydrophobicContact CG-CG1 4.18Å; Y1198-V1518 WeakPolarHBondContact CE1-O 3.46Å; Y1198-V1518 PolarHBondContact OH-O 3.29Å; Y1198-L1520 HydrophobicContact CE1-CB 4.33Å; Y1198-L1534 HydrophobicContact CD1-CD2 4.47Å; Y1198-L1534 HydrophobicContact CD2-CD2 4.47Å; Y1198-L1534 HydrophobicContact CG-CD2 4.37Å |
| 1199 | N | 87.8 | Confident | 85.8 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148.2 | 175.5 | -60.4 | -71.4 | 0 | 0 | 0 | 110.2 | P1197 F1201 Y1532 S1533 N1535 | P1197-N1199 PolarHBondContact O-ND2 3.25Å; P1197-N1199 VanDerWaalsContact O-ND2 3.13Å; N1199-F1201 PolarHBondContact O-N 3.02Å; N1199-Y1532 CarbonylContact O-C 3.52Å; N1199-Y1532 WeakPolarHBondContact O-CA 3.42Å; N1199-S1533 PolarHBondContact N-O 3.48Å; N1199-S1533 PolarHBondContact O-N 2.89Å; N1199-N1535 VanDerWaalsContact ND2-CG 3.32Å; N1199-N1535 PolarHBondContact ND2-ND2 2.9Å |
| 1200 | N | 88.1 | Confident | 86.1 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.1 | 170.4 | -179.6 | -16.7 | 0 | 0 | 0 | 108.9 | F1202 T1203 T1530 Y1532 | N1200-F1202 PolarHBondContact OD1-N 3.4Å; N1200-T1203 PolarHBondContact ND2-OG1 3.36Å; N1200-T1203 PolarHBondContact OD1-OG1 3.39Å; N1200-T1530 HydrophobicContact CB-CG2 4.42Å; N1200-T1530 VanDerWaalsContact CG-CG2 3.5Å; N1200-T1530 WeakPolarHBondContact ND2-CG2 3.47Å; N1200-T1530 WeakPolarHBondContact OD1-CG2 3.35Å; N1200-Y1532 HydrophobicContact CB-CD1 4.26Å; N1200-Y1532 HydrophobicContact CB-CE1 3.96Å |
| 1201 | F | 86.4 | Confident | 86.3 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -43 | 178.4 | -104 | -101 | 0 | 0 | 0 | 112.1 | N1199 W1235 V1531 N1535 | N1199-F1201 PolarHBondContact O-N 3.02Å; F1201-W1235 HydrophobicContact CD1-CZ3 4.22Å; F1201-V1531 PolarHBondContact N-O 3.13Å; F1201-N1535 WeakPolarHBondContact CE2-OD1 3.49Å |
| 1202 | F | 88.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 131.3 | -173.9 | 173.9 | -116.1 | 0 | 0 | 0 | 110.6 | N1200 C1204 W1233 W1235 G1238 F1529 T1530 V1531 | N1200-F1202 PolarHBondContact OD1-N 3.4Å; F1202-C1204 HydrophobicContact CE1-CB 3.82Å; F1202-C1204 HydrophobicContact CE2-CB 4.18Å; F1202-C1204 HydrophobicContact CZ-CB 3.51Å; F1202-W1233 HydrophobicContact CE1-CB 4.33Å; F1202-W1233 HydrophobicContact CZ-CB 4.49Å; F1202-W1233 HydrophobicContact CZ-CD2 4.46Å; F1202-W1233 HydrophobicContact CZ-CE3 4.01Å; F1202-W1235 HydrophobicContact CB-CB 4.18Å; F1202-W1235 WeakPolarHBondContact CB-O 3.25Å; F1202-W1235 HydrophobicContact CD1-CB 3.66Å; F1202-W1235 HydrophobicContact CE1-CB 4.26Å; F1202-W1235 HydrophobicContact CG-CB 4.04Å; F1202-G1238 VanDerWaalsContact CE2-CA 3.49Å; F1202-F1529 AromaticContact CD1-CE2 3.99Å; F1202-F1529 HydrophobicContact CD1-CE2 3.99Å; F1202-F1529 HydrophobicContact CD1-CZ 4.39Å; F1202-F1529 AromaticContact CE1-CE2 3.63Å; F1202-F1529 HydrophobicContact CE1-CE2 3.63Å; F1202-F1529 AromaticContact CE1-CZ 3.58Å; F1202-F1529 HydrophobicContact CE1-CZ 3.58Å; F1202-F1529 HydrophobicContact CZ-CZ 4.42Å; F1202-T1530 CarbonylContact O-C 3.56Å; F1202-T1530 VanDerWaalsContact O-CA 3.25Å; F1202-T1530 WeakPolarHBondContact O-CA 3.37Å; F1202-V1531 HydrophobicContact CB-CB 4.25Å; F1202-V1531 HydrophobicContact CD1-CG2 4.1Å; F1202-V1531 PolarHBondContact N-O 3.22Å; F1202-V1531 PolarHBondContact O-N 3.16Å |
| 1203 | T | 90.1 | Very high | 87.2 | Confident | 63 Ų | 63 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.2 | 173.3 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | N1200 M1528 F1529 T1530 | N1200-T1203 PolarHBondContact ND2-OG1 3.36Å; N1200-T1203 PolarHBondContact OD1-OG1 3.39Å; T1203-M1528 HydrophobicContact CG2-CE 3.36Å; T1203-F1529 WeakPolarHBondContact CA-O 3.48Å; T1203-T1530 VanDerWaalsContact OG1-CG2 3.26Å; T1203-T1530 WeakPolarHBondContact OG1-CG2 3.42Å; T1203-T1530 PolarHBondContact OG1-OG1 2.9Å; T1203-T1530 VanDerWaalsContact OG1-OG1 3.07Å |
| 1204 | C | 89.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 10% | 0.095 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.5 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | F1202 W1233 M1528 F1529 | F1202-C1204 HydrophobicContact CE1-CB 3.82Å; F1202-C1204 HydrophobicContact CE2-CB 4.18Å; F1202-C1204 HydrophobicContact CZ-CB 3.51Å; C1204-W1233 WeakPolarHBondContact SG-CH2 3.39Å; C1204-W1233 WeakPolarHBondContact SG-CZ2 3.22Å; C1204-W1233 WeakPolarHBondContact SG-CZ3 3.32Å; C1204-M1528 CarbonylContact O-C 3.56Å; C1204-M1528 WeakPolarHBondContact O-CA 3.33Å; C1204-M1528 WeakPolarHBondContact O-CE 3.45Å; C1204-F1529 HydrophobicContact CB-CD1 4.25Å; C1204-F1529 HydrophobicContact CB-CE1 3.7Å; C1204-F1529 HydrophobicContact CB-CZ 3.94Å; C1204-F1529 PolarHBondContact N-O 3.01Å; C1204-F1529 PolarHBondContact O-N 3.39Å |
| 1205 | R | 88.9 | Confident | 88.4 | Confident | 154 Ų | 154 | 53.9 Ų | 53.9 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.7 | 174.2 | -166.5 | 167.2 | -175.3 | 80.2 | 9.7 | 110.3 | D1526 M1528 | R1205-D1526 VanDerWaalsContact CZ-O 3.29Å; R1205-D1526 PolarHBondContact NH1-O 2.83Å; R1205-D1526 PolarHBondContact NH2-O 2.99Å; R1205-D1526 VanDerWaalsContact NH2-O 3.08Å; R1205-M1528 VanDerWaalsContact CA-SD 3.52Å; R1205-M1528 HydrophobicContact CB-CE 4.05Å; R1205-M1528 HydrophobicContact CB-SD 3.33Å; R1205-M1528 WeakPolarHBondContact CB-SD 3.48Å; R1205-M1528 HydrophobicContact CG-SD 3.45Å; R1205-M1528 WeakPolarHBondContact CG-SD 3.29Å; R1205-M1528 PolarHBondContact NH1-SD 3.05Å |
| 1206 | N | 85.3 | Confident | 89.2 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -89.1 | 166.2 | 169.2 | -82.9 | -28.4 | 0 | 0 | 0 | 111.5 | N1208 A1224 S1231 C1527 F1529 | N1206-N1208 VanDerWaalsContact C-N 3.29Å; N1206-N1208 WeakPolarHBondContact CB-O 3.37Å; N1206-N1208 PolarHBondContact O-N 2.8Å; N1206-A1224 WeakPolarHBondContact ND2-CB 3.15Å; N1206-S1231 PolarHBondContact OD1-OG 3.47Å; N1206-C1527 PolarHBondContact N-O 3.05Å; N1206-C1527 WeakPolarHBondContact O-CB 3.28Å; N1206-F1529 WeakPolarHBondContact ND2-CD1 3.42Å | ||
| 1207 | D | 82.6 | Confident | 89.6 | Confident | 100 Ų | 100 | 45.9 Ų | 45.9 | 54% | 0.535 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -68.1 | -31.5 | 176.8 | -61.4 | -2.2 | 0 | 0 | 0 | 112.5 | K1243 | D1207-K1243 IonicContact OD1-NZ 3.28Å; D1207-K1243 PolarHBondContact OD1-NZ 3.44Å; D1207-K1243 VanDerWaalsContact OD2-CE 3.25Å; D1207-K1243 WeakPolarHBondContact OD2-CE 3.39Å; D1207-K1243 IonicContact OD2-NZ 2.91Å; D1207-K1243 PolarHBondContact OD2-NZ 3.05Å |
| 1208 | N | 87.3 | Confident | 89.4 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -135 | 170 | -174.3 | -77.6 | -63.1 | 0 | 0 | 0 | 109.8 | N1206 P1210 C1226 Y1228 C1527 | N1206-N1208 VanDerWaalsContact C-N 3.29Å; N1206-N1208 WeakPolarHBondContact CB-O 3.37Å; N1206-N1208 PolarHBondContact O-N 2.8Å; N1208-P1210 WeakPolarHBondContact O-CD 3.3Å; N1208-C1226 HydrophobicContact CB-CB 3.56Å; N1208-C1226 PolarHBondContact O-SG 3.07Å; N1208-C1226 VanDerWaalsContact O-SG 3.34Å; N1208-Y1228 WeakPolarHBondContact ND2-CE1 3.31Å; N1208-Y1228 PolarHBondContact ND2-OH 2.83Å; N1208-C1527 VanDerWaalsContact C-SG 3.51Å |
| 1209 | I | 90.7 | Very high | 89.3 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | trans | -62.3 | 119.9 | 178.8 | -59.5 | 173.8 | 0 | 0 | 0 | 109.2 | R1211 C1226 S1525 | I1209-R1211 PolarHBondContact O-N 2.88Å; I1209-C1226 WeakPolarHBondContact O-CA 3.43Å; I1209-S1525 WeakPolarHBondContact CG1-O 3.4Å | ||
| 1210 | P | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -64.7 | 116.7 | 172.7 | 24.5 | -29.8 | 0 | 0 | 0 | 108.9 | N1208 L1213 S1509 C1510 E1524 M1528 F1529 | N1208-P1210 WeakPolarHBondContact O-CD 3.3Å; P1210-L1213 HydrophobicContact CB-CD2 4.46Å; P1210-S1509 WeakPolarHBondContact O-CB 3.24Å; P1210-S1509 PolarHBondContact O-OG 3.49Å; P1210-C1510 PolarHBondContact O-SG 2.86Å; P1210-C1510 VanDerWaalsContact O-SG 3.38Å; P1210-E1524 WeakPolarHBondContact CD-O 3.37Å; P1210-M1528 VanDerWaalsContact CG-O 3.27Å; P1210-M1528 WeakPolarHBondContact CG-O 3.3Å; P1210-F1529 HydrophobicContact CG-CB 4.27Å | ||
| 1211 | R | 92 | Very high | 89.5 | Confident | 92 Ų | 92 | 39.7 Ų | 39.7 | 35% | 0.347 | 20% | 0.196 | S | C | . | . | trans | -95.2 | -26.7 | 178 | -78.6 | -169.8 | 159.4 | 73.7 | -4.4 | 112.5 | I1209 G1225 S1227 Q1257 L1258 C1510 | I1209-R1211 PolarHBondContact O-N 2.88Å; R1211-G1225 PolarHBondContact N-O 2.84Å; R1211-S1227 PolarHBondContact NH1-OG 3.34Å; R1211-Q1257 VanDerWaalsContact CZ-OE1 3.3Å; R1211-L1258 WeakPolarHBondContact CD-O 3.48Å; R1211-C1510 VanDerWaalsContact O-CB 3.31Å; R1211-C1510 WeakPolarHBondContact O-CB 3.45Å | ||
| 1212 | S | 93.8 | Very high | 89.9 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.9 | 175.3 | -171 | 0 | 0 | 0 | 0 | 110.3 | G1225 | S1212-G1225 PolarHBondContact N-O 2.71Å; S1212-G1225 PolarHBondContact O-N 3.16Å |
| 1213 | L | 95.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144 | 173.4 | -66.3 | 174.7 | 0 | 0 | 0 | 107.3 | P1210 C1223 A1224 T1512 F1529 | P1210-L1213 HydrophobicContact CB-CD2 4.46Å; L1213-C1223 CarbonylContact C-O 3.47Å; L1213-C1223 WeakPolarHBondContact CA-O 3.35Å; L1213-A1224 HydrophobicContact CD2-CB 3.61Å; L1213-T1512 HydrophobicContact CB-CG2 3.44Å; L1213-T1512 VanDerWaalsContact CB-CG2 3.44Å; L1213-T1512 WeakPolarHBondContact O-CG2 3.41Å; L1213-F1529 HydrophobicContact CD1-CB 4.12Å; L1213-F1529 HydrophobicContact CD2-CB 4.05Å; L1213-F1529 HydrophobicContact CD2-CD2 4.1Å; L1213-F1529 HydrophobicContact CD2-CG 4Å |
| 1214 | Q | 95.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 119.9 | 177.5 | -175.5 | 63.7 | 44.6 | 0 | 0 | 110 | C1223 L1261 L1263 | Q1214-C1223 HydrophobicContact CB-CB 4.35Å; Q1214-C1223 PolarHBondContact N-O 3.17Å; Q1214-C1223 PolarHBondContact O-N 2.61Å; Q1214-L1261 HydrophobicContact CB-CD2 4.09Å; Q1214-L1261 HydrophobicContact CB-CG 4.17Å; Q1214-L1263 HydrophobicContact CG-CD1 4.15Å; Q1214-L1263 HydrophobicContact CG-CG 3.78Å |
| 1215 | F | 95.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 144.6 | 176.8 | -71.4 | -79.7 | 0 | 0 | 0 | 112.1 | V1222 L1263 T1512 H1514 T1519 V1531 | F1215-V1222 HydrophobicContact CD1-CB 3.86Å; F1215-V1222 HydrophobicContact CD1-CG2 3.93Å; F1215-V1222 HydrophobicContact CE1-CB 3.9Å; F1215-V1222 HydrophobicContact CE1-CG2 3.85Å; F1215-V1222 HydrophobicContact CG-CG2 4.4Å; F1215-V1222 HydrophobicContact CZ-CG2 4.26Å; F1215-L1263 WeakPolarHBondContact O-CD1 3.41Å; F1215-T1512 HydrophobicContact CD2-CG2 3.82Å; F1215-T1512 HydrophobicContact CE2-CG2 3.63Å; F1215-H1514 HydrophobicContact CB-CB 4.34Å; F1215-H1514 AromaticContact CD1-CD2 3.94Å; F1215-H1514 HydrophobicContact CD2-CB 4.07Å; F1215-H1514 HydrophobicContact CG-CB 4.14Å; F1215-H1514 AromaticContact CG-CD2 3.77Å; F1215-T1519 HydrophobicContact CE1-CG2 4.4Å; F1215-T1519 HydrophobicContact CZ-CG2 4.28Å; F1215-V1531 HydrophobicContact CE1-CG1 4Å; F1215-V1531 HydrophobicContact CE1-CG2 4.02Å; F1215-V1531 HydrophobicContact CZ-CG1 3.97Å; F1215-V1531 HydrophobicContact CZ-CG2 4.01Å |
| 1216 | F | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -77.7 | 133.6 | 166.5 | -74.8 | -109.9 | 0 | 0 | 0 | 108.5 | A1218 D1219 M1221 C1223 V1232 L1263 C1270 I1289 H1514 | F1216-A1218 PolarHBondContact O-N 2.75Å; F1216-D1219 HydrophobicContact CB-CB 4.5Å; F1216-M1221 HydrophobicContact CB-CB 3.95Å; F1216-M1221 HydrophobicContact CD1-CE 4.19Å; F1216-M1221 HydrophobicContact CD2-CB 3.54Å; F1216-M1221 HydrophobicContact CD2-CE 4.33Å; F1216-M1221 HydrophobicContact CE1-CE 3.93Å; F1216-M1221 HydrophobicContact CE2-CB 4.17Å; F1216-M1221 HydrophobicContact CE2-CE 4.09Å; F1216-M1221 HydrophobicContact CG-CB 3.76Å; F1216-M1221 HydrophobicContact CG-CE 4.39Å; F1216-M1221 HydrophobicContact CZ-CE 3.88Å; F1216-M1221 PolarHBondContact N-O 2.94Å; F1216-C1223 HydrophobicContact CE2-CB 4.16Å; F1216-V1232 HydrophobicContact CE2-CG1 3.83Å; F1216-V1232 HydrophobicContact CZ-CG1 4.12Å; F1216-L1263 HydrophobicContact CB-CD1 4.4Å; F1216-L1263 HydrophobicContact CD1-CD1 3.95Å; F1216-L1263 HydrophobicContact CD2-CD1 3.93Å; F1216-L1263 HydrophobicContact CE1-CD1 4.15Å; F1216-L1263 HydrophobicContact CE1-CD2 4.27Å; F1216-L1263 HydrophobicContact CE2-CD1 4.13Å; F1216-L1263 HydrophobicContact CE2-CD2 4.11Å; F1216-L1263 HydrophobicContact CG-CD1 3.83Å; F1216-L1263 HydrophobicContact CZ-CD1 4.24Å; F1216-L1263 HydrophobicContact CZ-CD2 3.86Å; F1216-C1270 HydrophobicContact CE1-CB 4.24Å; F1216-C1270 WeakPolarHBondContact CE1-SG 3.43Å; F1216-I1289 HydrophobicContact CD1-CD1 3.77Å; F1216-I1289 HydrophobicContact CE1-CD1 3.92Å; F1216-H1514 PolarHBondContact O-NE2 3.14Å; F1216-H1514 VanDerWaalsContact O-NE2 3.09Å | ||
| 1217 | P | 87.3 | Confident | 90.8 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -71.6 | -31.3 | -170.3 | -20.4 | 31.8 | 0 | 0 | 0 | 115.3 | P1266 F1267 H1514 P1515 M1516 | P1217-P1266 HydrophobicContact CG-CB 3.83Å; P1217-P1266 HydrophobicContact CG-CG 4.43Å; P1217-F1267 HydrophobicContact CB-CD1 4.5Å; P1217-F1267 HydrophobicContact CB-CE1 3.68Å; P1217-F1267 HydrophobicContact CB-CZ 4.22Å; P1217-F1267 HydrophobicContact CG-CE1 4.02Å; P1217-F1267 HydrophobicContact CG-CZ 4.27Å; P1217-H1514 PolarHBondContact O-CE1 3.22Å; P1217-P1515 HydrophobicContact CB-CG 3.89Å; P1217-P1515 HydrophobicContact CG-CG 3.9Å; P1217-M1516 HydrophobicContact CB-CG 4.41Å; P1217-M1516 HydrophobicContact CB-SD 3.78Å |
| 1218 | A | 81 | Confident | 90.9 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -109.6 | -32.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1177 F1216 | L1177-A1218 HydrophobicContact CD2-CB 3.82Å; L1177-A1218 HydrophobicContact CG-CB 4.2Å; F1216-A1218 PolarHBondContact O-N 2.75Å |
| 1219 | D | 85.3 | Confident | 91 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 20% | 0.203 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -101.8 | 146.6 | -176.3 | -49.7 | -74.3 | 0 | 0 | 0 | 109.2 | R1173 F1216 M1221 I1289 | R1173-D1219 IonicContact CZ-OD1 3.8Å; R1173-D1219 IonicContact CZ-OD2 3.46Å; R1173-D1219 IonicContact NH1-OD1 3.16Å; R1173-D1219 PolarHBondContact NH1-OD1 3.03Å; R1173-D1219 IonicContact NH1-OD2 3.71Å; R1173-D1219 PolarHBondContact NH1-OD2 3.02Å; R1173-D1219 IonicContact NH2-OD1 3.42Å; R1173-D1219 IonicContact NH2-OD2 3.81Å; R1173-D1219 PolarHBondContact NH2-OD2 3.23Å; F1216-D1219 HydrophobicContact CB-CB 4.5Å; D1219-M1221 HydrophobicContact CB-CG 4.2Å; D1219-M1221 HydrophobicContact CB-SD 3.89Å; D1219-M1221 PolarHBondContact O-N 2.95Å; D1219-I1289 WeakPolarHBondContact OD2-CD1 3.41Å |
| 1220 | P | 88.4 | Confident | 91.1 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 26% | 0.26 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -75.7 | 59.7 | -178.5 | 32.3 | -36.5 | 0 | 0 | 0 | 111.6 | N1234 W1235 D1236 | P1220-N1234 CarbonylContact O-C 3.56Å; P1220-N1234 VanDerWaalsContact O-CA 3.31Å; P1220-N1234 WeakPolarHBondContact O-CA 3.42Å; P1220-N1234 PolarHBondContact O-OD1 3.47Å; P1220-W1235 HydrophobicContact CB-CZ2 4.15Å; P1220-W1235 VanDerWaalsContact O-CD1 3.23Å; P1220-W1235 PolarHBondContact O-N 3.15Å; P1220-D1236 HydrophobicContact CB-CB 4.07Å; P1220-D1236 WeakPolarHBondContact CB-OD2 3.46Å; P1220-D1236 HydrophobicContact CG-CB 4.37Å; P1220-D1236 WeakPolarHBondContact CG-OD2 3.25Å |
| 1221 | M | 92.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 7% | 0.069 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.6 | -173.1 | -66.3 | 169.7 | 50 | 0 | 0 | 111.1 | F1216 D1219 V1232 W1233 L1241 L1288 | F1216-M1221 HydrophobicContact CB-CB 3.95Å; F1216-M1221 HydrophobicContact CD1-CE 4.19Å; F1216-M1221 HydrophobicContact CD2-CB 3.54Å; F1216-M1221 HydrophobicContact CD2-CE 4.33Å; F1216-M1221 HydrophobicContact CE1-CE 3.93Å; F1216-M1221 HydrophobicContact CE2-CB 4.17Å; F1216-M1221 HydrophobicContact CE2-CE 4.09Å; F1216-M1221 HydrophobicContact CG-CB 3.76Å; F1216-M1221 HydrophobicContact CG-CE 4.39Å; F1216-M1221 HydrophobicContact CZ-CE 3.88Å; F1216-M1221 PolarHBondContact N-O 2.94Å; D1219-M1221 HydrophobicContact CB-CG 4.2Å; D1219-M1221 HydrophobicContact CB-SD 3.89Å; D1219-M1221 PolarHBondContact O-N 2.95Å; M1221-V1232 HydrophobicContact CE-CG1 3.55Å; M1221-W1233 CarbonylContact C-O 3.57Å; M1221-W1233 WeakPolarHBondContact CA-O 3.39Å; M1221-L1241 HydrophobicContact CE-CD1 3.64Å; M1221-L1241 HydrophobicContact CG-CD1 3.79Å; M1221-L1241 HydrophobicContact SD-CD1 3.73Å; M1221-L1288 HydrophobicContact CE-CB 4.01Å; M1221-L1288 HydrophobicContact CE-CD1 3.47Å; M1221-L1288 VanDerWaalsContact CE-CD1 3.47Å; M1221-L1288 HydrophobicContact CE-CG 4.32Å |
| 1222 | V | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.5 | 176.9 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | F1215 W1233 W1235 F1529 | F1215-V1222 HydrophobicContact CD1-CB 3.86Å; F1215-V1222 HydrophobicContact CD1-CG2 3.93Å; F1215-V1222 HydrophobicContact CE1-CB 3.9Å; F1215-V1222 HydrophobicContact CE1-CG2 3.85Å; F1215-V1222 HydrophobicContact CG-CG2 4.4Å; F1215-V1222 HydrophobicContact CZ-CG2 4.26Å; V1222-W1233 HydrophobicContact CG1-CB 4.04Å; V1222-W1233 PolarHBondContact N-O 3.12Å; V1222-W1233 PolarHBondContact O-N 2.64Å; V1222-W1235 HydrophobicContact CG1-CB 4.25Å; V1222-F1529 HydrophobicContact CG1-CE2 3.73Å; V1222-F1529 HydrophobicContact CG1-CZ 4.09Å |
| 1223 | C | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124 | 173.2 | -161.3 | 0 | 0 | 0 | 0 | 108.7 | L1213 Q1214 F1216 V1230 S1231 L1261 | L1213-C1223 CarbonylContact C-O 3.47Å; L1213-C1223 WeakPolarHBondContact CA-O 3.35Å; Q1214-C1223 HydrophobicContact CB-CB 4.35Å; Q1214-C1223 PolarHBondContact N-O 3.17Å; Q1214-C1223 PolarHBondContact O-N 2.61Å; F1216-C1223 HydrophobicContact CE2-CB 4.16Å; C1223-V1230 WeakPolarHBondContact SG-CG1 3.46Å; C1223-S1231 CarbonylContact C-O 3.6Å; C1223-S1231 WeakPolarHBondContact CA-O 3.36Å; C1223-L1261 HydrophobicContact CB-CD2 4.07Å |
| 1224 | A | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1206 L1213 S1231 F1529 | N1206-A1224 WeakPolarHBondContact ND2-CB 3.15Å; L1213-A1224 HydrophobicContact CD2-CB 3.61Å; A1224-S1231 PolarHBondContact N-O 3.3Å; A1224-S1231 PolarHBondContact O-N 2.88Å; A1224-S1231 PolarHBondContact O-OG 3.05Å; A1224-F1529 HydrophobicContact CB-CD1 4.23Å; A1224-F1529 HydrophobicContact CB-CE1 4.05Å; A1224-F1529 HydrophobicContact CB-CZ 4.47Å |
| 1225 | G | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1211 S1212 L1258 | R1211-G1225 PolarHBondContact N-O 2.84Å; S1212-G1225 PolarHBondContact N-O 2.71Å; S1212-G1225 PolarHBondContact O-N 3.16Å; G1225-L1258 VanDerWaalsContact C-CD2 3.5Å |
| 1226 | C | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | trans | -98.7 | -168.3 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | N1208 I1209 Y1228 T1229 L1258 | N1208-C1226 HydrophobicContact CB-CB 3.56Å; N1208-C1226 PolarHBondContact O-SG 3.07Å; N1208-C1226 VanDerWaalsContact O-SG 3.34Å; I1209-C1226 WeakPolarHBondContact O-CA 3.43Å; C1226-Y1228 PolarHBondContact O-N 2.97Å; C1226-T1229 PolarHBondContact N-O 2.98Å; C1226-L1258 WeakPolarHBondContact O-CB 3.45Å; C1226-L1258 VanDerWaalsContact O-CD2 3.32Å; C1226-L1258 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1227 | S | 86.7 | Confident | 90 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -52.4 | -50.8 | -178.7 | -45.6 | 0 | 0 | 0 | 0 | 113.6 | R1211 L1258 | R1211-S1227 PolarHBondContact NH1-OG 3.34Å; S1227-L1258 PolarHBondContact O-N 2.79Å |
| 1228 | Y | 84.4 | Confident | 89.9 | Confident | 93 Ų | 93 | 25.8 Ų | 25.8 | 37% | 0.365 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -134.9 | 2.7 | -175.1 | 54.4 | -97.4 | 0 | 0 | 0 | 113.2 | N1208 C1226 D1245 N1246 | N1208-Y1228 WeakPolarHBondContact ND2-CE1 3.31Å; N1208-Y1228 PolarHBondContact ND2-OH 2.83Å; C1226-Y1228 PolarHBondContact O-N 2.97Å; Y1228-D1245 CarbonylContact O-C 3.47Å; Y1228-N1246 PolarHBondContact O-N 3.04Å |
| 1229 | T | 90 | Very high | 90.2 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.8 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | C1226 F1244 D1245 | C1226-T1229 PolarHBondContact N-O 2.98Å; T1229-F1244 WeakPolarHBondContact CA-O 3.47Å; T1229-D1245 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1230 | V | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.3 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | C1223 K1243 F1244 N1246 L1261 V1272 T1274 | C1223-V1230 WeakPolarHBondContact SG-CG1 3.46Å; V1230-K1243 WeakPolarHBondContact O-CA 3.26Å; V1230-F1244 HydrophobicContact CB-CD1 4.47Å; V1230-F1244 HydrophobicContact CB-CD2 4.16Å; V1230-F1244 HydrophobicContact CB-CE1 4.01Å; V1230-F1244 HydrophobicContact CB-CE2 3.65Å; V1230-F1244 HydrophobicContact CB-CZ 3.58Å; V1230-F1244 HydrophobicContact CG1-CE1 3.89Å; V1230-F1244 HydrophobicContact CG1-CE2 4.12Å; V1230-F1244 HydrophobicContact CG1-CZ 3.54Å; V1230-F1244 HydrophobicContact CG2-CE2 4Å; V1230-F1244 HydrophobicContact CG2-CZ 4.26Å; V1230-F1244 PolarHBondContact N-O 3.35Å; V1230-F1244 PolarHBondContact O-N 2.81Å; V1230-N1246 HydrophobicContact CG2-CB 4.34Å; V1230-L1261 HydrophobicContact CG1-CD1 4.26Å; V1230-V1272 HydrophobicContact CG1-CG1 4.24Å; V1230-T1274 HydrophobicContact CG2-CG2 3.94Å |
| 1231 | S | 92.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.3 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | N1206 C1223 A1224 W1233 A1242 | N1206-S1231 PolarHBondContact OD1-OG 3.47Å; C1223-S1231 CarbonylContact C-O 3.6Å; C1223-S1231 WeakPolarHBondContact CA-O 3.36Å; A1224-S1231 PolarHBondContact N-O 3.3Å; A1224-S1231 PolarHBondContact O-N 2.88Å; A1224-S1231 PolarHBondContact O-OG 3.05Å; S1231-W1233 PolarHBondContact OG-NE1 2.87Å; S1231-A1242 CarbonylContact C-O 3.5Å; S1231-A1242 WeakPolarHBondContact CA-O 3.42Å |
| 1232 | V | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.3 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | F1216 M1221 L1241 A1242 L1288 | F1216-V1232 HydrophobicContact CE2-CG1 3.83Å; F1216-V1232 HydrophobicContact CZ-CG1 4.12Å; M1221-V1232 HydrophobicContact CE-CG1 3.55Å; V1232-L1241 PolarHBondContact O-N 3.17Å; V1232-A1242 HydrophobicContact CB-CB 4.22Å; V1232-A1242 HydrophobicContact CG2-CB 4.24Å; V1232-A1242 PolarHBondContact N-O 3.36Å; V1232-A1242 PolarHBondContact O-N 3.08Å; V1232-L1288 HydrophobicContact CB-CD1 3.93Å; V1232-L1288 HydrophobicContact CG1-CD1 3.61Å; V1232-L1288 HydrophobicContact CG2-CD1 4.27Å |
| 1233 | W | 91.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 34.6 Ų | 34.6 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.1 | -175.8 | -63.5 | 81.9 | 0 | 0 | 0 | 110.2 | F1202 C1204 M1221 V1222 S1231 A1239 L1240 F1529 | F1202-W1233 HydrophobicContact CE1-CB 4.33Å; F1202-W1233 HydrophobicContact CZ-CB 4.49Å; F1202-W1233 HydrophobicContact CZ-CD2 4.46Å; F1202-W1233 HydrophobicContact CZ-CE3 4.01Å; C1204-W1233 WeakPolarHBondContact SG-CH2 3.39Å; C1204-W1233 WeakPolarHBondContact SG-CZ2 3.22Å; C1204-W1233 WeakPolarHBondContact SG-CZ3 3.32Å; M1221-W1233 CarbonylContact C-O 3.57Å; M1221-W1233 WeakPolarHBondContact CA-O 3.39Å; V1222-W1233 HydrophobicContact CG1-CB 4.04Å; V1222-W1233 PolarHBondContact N-O 3.12Å; V1222-W1233 PolarHBondContact O-N 2.64Å; S1231-W1233 PolarHBondContact OG-NE1 2.87Å; W1233-A1239 CarbonylContact C-O 3.6Å; W1233-A1239 WeakPolarHBondContact CA-O 3.27Å; W1233-L1240 HydrophobicContact CD2-CB 4.3Å; W1233-L1240 HydrophobicContact CD2-CD1 3.92Å; W1233-L1240 HydrophobicContact CE3-CB 3.94Å; W1233-L1240 HydrophobicContact CE3-CD1 4.41Å; W1233-L1240 HydrophobicContact CG-CD1 4.37Å; W1233-L1240 HydrophobicContact CH2-CB 3.98Å; W1233-L1240 HydrophobicContact CH2-CD1 4.26Å; W1233-L1240 HydrophobicContact CH2-CG 4.49Å; W1233-L1240 HydrophobicContact CZ2-CB 4.35Å; W1233-L1240 HydrophobicContact CZ2-CD1 3.76Å; W1233-L1240 HydrophobicContact CZ2-CG 4.44Å; W1233-L1240 HydrophobicContact CZ3-CB 3.77Å; W1233-F1529 HydrophobicContact CB-CZ 4.33Å; W1233-F1529 AromaticContact CD1-CZ 3.8Å; W1233-F1529 HydrophobicContact CD2-CZ 4.46Å; W1233-F1529 HydrophobicContact CG-CE1 4.45Å; W1233-F1529 AromaticContact CG-CZ 3.95Å; W1233-F1529 HydrophobicContact CG-CZ 3.95Å; W1233-F1529 AromaticContact NE1-CE1 3.96Å |
| 1234 | N | 91.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 115.3 | 160.9 | -176.4 | -46.1 | 0 | 0 | 0 | 107.8 | P1220 D1236 T1237 G1238 A1239 L1241 | P1220-N1234 CarbonylContact O-C 3.56Å; P1220-N1234 VanDerWaalsContact O-CA 3.31Å; P1220-N1234 WeakPolarHBondContact O-CA 3.42Å; P1220-N1234 PolarHBondContact O-OD1 3.47Å; N1234-D1236 WeakPolarHBondContact OD1-CB 3.29Å; N1234-D1236 PolarHBondContact OD1-N 3.38Å; N1234-T1237 WeakPolarHBondContact CB-OG1 3.27Å; N1234-T1237 VanDerWaalsContact CG-OG1 3.3Å; N1234-T1237 PolarHBondContact OD1-N 3.17Å; N1234-T1237 PolarHBondContact OD1-OG1 3.44Å; N1234-G1238 CarbonylContact O-C 3.56Å; N1234-G1238 WeakPolarHBondContact O-CA 3.25Å; N1234-G1238 PolarHBondContact O-N 3.29Å; N1234-A1239 HydrophobicContact CB-CB 4.49Å; N1234-A1239 PolarHBondContact N-O 3.21Å; N1234-A1239 PolarHBondContact O-N 3.19Å; N1234-L1241 HydrophobicContact CB-CD1 4.08Å; N1234-L1241 HydrophobicContact CB-CD2 4.44Å; N1234-L1241 HydrophobicContact CB-CG 4.28Å |
| 1235 | W | 90.2 | Very high | 89.3 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.5 | -174.6 | 59.5 | -95.5 | 0 | 0 | 0 | 113.4 | F1201 F1202 P1220 V1222 V1531 | F1201-W1235 HydrophobicContact CD1-CZ3 4.22Å; F1202-W1235 HydrophobicContact CB-CB 4.18Å; F1202-W1235 WeakPolarHBondContact CB-O 3.25Å; F1202-W1235 HydrophobicContact CD1-CB 3.66Å; F1202-W1235 HydrophobicContact CE1-CB 4.26Å; F1202-W1235 HydrophobicContact CG-CB 4.04Å; P1220-W1235 HydrophobicContact CB-CZ2 4.15Å; P1220-W1235 VanDerWaalsContact O-CD1 3.23Å; P1220-W1235 PolarHBondContact O-N 3.15Å; V1222-W1235 HydrophobicContact CG1-CB 4.25Å; W1235-V1531 HydrophobicContact CB-CG2 4.31Å; W1235-V1531 HydrophobicContact CD2-CG1 4.42Å; W1235-V1531 HydrophobicContact CE3-CG1 4.34Å |
| 1236 | D | 87.2 | Confident | 88.9 | Confident | 97 Ų | 97 | 40.4 Ų | 40.4 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -45 | 170.7 | -80.9 | -14.4 | 0 | 0 | 0 | 111.5 | P1220 N1234 | P1220-D1236 HydrophobicContact CB-CB 4.07Å; P1220-D1236 WeakPolarHBondContact CB-OD2 3.46Å; P1220-D1236 HydrophobicContact CG-CB 4.37Å; P1220-D1236 WeakPolarHBondContact CG-OD2 3.25Å; N1234-D1236 WeakPolarHBondContact OD1-CB 3.29Å; N1234-D1236 PolarHBondContact OD1-N 3.38Å |
| 1237 | T | 88.4 | Confident | 87.8 | Confident | 101 Ų | 101 | 43 Ų | 43 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -13.7 | -178 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | N1234 A1239 | N1234-T1237 WeakPolarHBondContact CB-OG1 3.27Å; N1234-T1237 VanDerWaalsContact CG-OG1 3.3Å; N1234-T1237 PolarHBondContact OD1-N 3.17Å; N1234-T1237 PolarHBondContact OD1-OG1 3.44Å; T1237-A1239 VanDerWaalsContact C-N 3.26Å; T1237-A1239 PolarHBondContact O-N 2.83Å; T1237-A1239 WeakPolarHBondContact OG1-CB 3.43Å; T1237-A1239 PolarHBondContact OG1-N 3.07Å |
| 1238 | G | 86.1 | Confident | 86.5 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | trans | 69.3 | 15.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | F1202 N1234 | F1202-G1238 VanDerWaalsContact CE2-CA 3.49Å; N1234-G1238 CarbonylContact O-C 3.56Å; N1234-G1238 WeakPolarHBondContact O-CA 3.25Å; N1234-G1238 PolarHBondContact O-N 3.29Å | ||
| 1239 | A | 88 | Confident | 85.1 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | trans | -85.1 | 137 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1233 N1234 T1237 L1241 | W1233-A1239 CarbonylContact C-O 3.6Å; W1233-A1239 WeakPolarHBondContact CA-O 3.27Å; N1234-A1239 HydrophobicContact CB-CB 4.49Å; N1234-A1239 PolarHBondContact N-O 3.21Å; N1234-A1239 PolarHBondContact O-N 3.19Å; T1237-A1239 VanDerWaalsContact C-N 3.26Å; T1237-A1239 PolarHBondContact O-N 2.83Å; T1237-A1239 WeakPolarHBondContact OG1-CB 3.43Å; T1237-A1239 PolarHBondContact OG1-N 3.07Å; A1239-L1241 HydrophobicContact CB-CD2 4.48Å | ||
| 1240 | L | 89.7 | Confident | 82.9 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.5 | 167.6 | 177.4 | 66.7 | 0 | 0 | 0 | 109.2 | W1233 A1242 K1243 | W1233-L1240 HydrophobicContact CD2-CB 4.3Å; W1233-L1240 HydrophobicContact CD2-CD1 3.92Å; W1233-L1240 HydrophobicContact CE3-CB 3.94Å; W1233-L1240 HydrophobicContact CE3-CD1 4.41Å; W1233-L1240 HydrophobicContact CG-CD1 4.37Å; W1233-L1240 HydrophobicContact CH2-CB 3.98Å; W1233-L1240 HydrophobicContact CH2-CD1 4.26Å; W1233-L1240 HydrophobicContact CH2-CG 4.49Å; W1233-L1240 HydrophobicContact CZ2-CB 4.35Å; W1233-L1240 HydrophobicContact CZ2-CD1 3.76Å; W1233-L1240 HydrophobicContact CZ2-CG 4.44Å; W1233-L1240 HydrophobicContact CZ3-CB 3.77Å; L1240-A1242 WeakPolarHBondContact CD1-O 3.06Å; L1240-K1243 HydrophobicContact CD1-CB 4.46Å; L1240-K1243 HydrophobicContact CD2-CB 4.43Å; L1240-K1243 HydrophobicContact CD2-CD 4.41Å |
| 1241 | L | 87.5 | Confident | 80.9 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -41.9 | -175.7 | -59.6 | 178.1 | 0 | 0 | 0 | 112.6 | M1221 V1232 N1234 A1239 L1288 | M1221-L1241 HydrophobicContact CE-CD1 3.64Å; M1221-L1241 HydrophobicContact CG-CD1 3.79Å; M1221-L1241 HydrophobicContact SD-CD1 3.73Å; V1232-L1241 PolarHBondContact O-N 3.17Å; N1234-L1241 HydrophobicContact CB-CD1 4.08Å; N1234-L1241 HydrophobicContact CB-CD2 4.44Å; N1234-L1241 HydrophobicContact CB-CG 4.28Å; A1239-L1241 HydrophobicContact CB-CD2 4.48Å; L1241-L1288 HydrophobicContact CB-CD1 3.99Å; L1241-L1288 HydrophobicContact CB-CD2 3.94Å; L1241-L1288 HydrophobicContact CD1-CD1 4.37Å |
| 1242 | A | 88 | Confident | 78.8 | Confident | 15 Ų | 15 | 64 Ų | 64 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1231 V1232 L1240 L1288 | S1231-A1242 CarbonylContact C-O 3.5Å; S1231-A1242 WeakPolarHBondContact CA-O 3.42Å; V1232-A1242 HydrophobicContact CB-CB 4.22Å; V1232-A1242 HydrophobicContact CG2-CB 4.24Å; V1232-A1242 PolarHBondContact N-O 3.36Å; V1232-A1242 PolarHBondContact O-N 3.08Å; L1240-A1242 WeakPolarHBondContact CD1-O 3.06Å; A1242-L1288 HydrophobicContact CB-CD1 4.19Å |
| 1243 | K | 87.7 | Confident | 76.6 | Confident | 90 Ų | 90 | 71.6 Ų | 71.6 | 39% | 0.391 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 133.4 | 172.8 | -175.3 | 173.4 | 176.7 | 178.2 | 0 | 110.2 | D1207 V1230 L1240 | D1207-K1243 IonicContact OD1-NZ 3.28Å; D1207-K1243 PolarHBondContact OD1-NZ 3.44Å; D1207-K1243 VanDerWaalsContact OD2-CE 3.25Å; D1207-K1243 WeakPolarHBondContact OD2-CE 3.39Å; D1207-K1243 IonicContact OD2-NZ 2.91Å; D1207-K1243 PolarHBondContact OD2-NZ 3.05Å; V1230-K1243 WeakPolarHBondContact O-CA 3.26Å; L1240-K1243 HydrophobicContact CD1-CB 4.46Å; L1240-K1243 HydrophobicContact CD2-CB 4.43Å; L1240-K1243 HydrophobicContact CD2-CD 4.41Å |
| 1244 | F | 88 | Confident | 74.8 | Confident | 14 Ų | 14 | 74.1 Ų | 74.1 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 154 | -179.4 | 55.3 | -85.3 | 0 | 0 | 0 | 113.4 | T1229 V1230 V1272 W1284 P1304 | T1229-F1244 WeakPolarHBondContact CA-O 3.47Å; V1230-F1244 HydrophobicContact CB-CD1 4.47Å; V1230-F1244 HydrophobicContact CB-CD2 4.16Å; V1230-F1244 HydrophobicContact CB-CE1 4.01Å; V1230-F1244 HydrophobicContact CB-CE2 3.65Å; V1230-F1244 HydrophobicContact CB-CZ 3.58Å; V1230-F1244 HydrophobicContact CG1-CE1 3.89Å; V1230-F1244 HydrophobicContact CG1-CE2 4.12Å; V1230-F1244 HydrophobicContact CG1-CZ 3.54Å; V1230-F1244 HydrophobicContact CG2-CE2 4Å; V1230-F1244 HydrophobicContact CG2-CZ 4.26Å; V1230-F1244 PolarHBondContact N-O 3.35Å; V1230-F1244 PolarHBondContact O-N 2.81Å; F1244-V1272 HydrophobicContact CZ-CB 4.22Å; F1244-V1272 HydrophobicContact CZ-CG1 4.17Å; F1244-W1284 AromaticContact CD2-CD2 3.76Å; F1244-W1284 HydrophobicContact CD2-CD2 3.76Å; F1244-W1284 AromaticContact CD2-CE2 3.96Å; F1244-W1284 AromaticContact CD2-CE3 3.98Å; F1244-W1284 HydrophobicContact CD2-CE3 3.98Å; F1244-W1284 HydrophobicContact CD2-CG 4.11Å; F1244-W1284 HydrophobicContact CD2-CZ2 4.35Å; F1244-W1284 HydrophobicContact CD2-CZ3 4.34Å; F1244-W1284 HydrophobicContact CE2-CB 3.91Å; F1244-W1284 AromaticContact CE2-CD1 3.58Å; F1244-W1284 AromaticContact CE2-CD2 3.57Å; F1244-W1284 HydrophobicContact CE2-CD2 3.57Å; F1244-W1284 AromaticContact CE2-CE2 3.81Å; F1244-W1284 HydrophobicContact CE2-CE3 4.2Å; F1244-W1284 AromaticContact CE2-CG 3.42Å; F1244-W1284 HydrophobicContact CE2-CG 3.42Å; F1244-W1284 VanDerWaalsContact CE2-CG 3.42Å; F1244-W1284 AromaticContact CE2-NE1 3.78Å; F1244-W1284 HydrophobicContact CZ-CB 3.9Å; F1244-W1284 HydrophobicContact CZ-CD2 4.43Å; F1244-W1284 AromaticContact CZ-CG 3.92Å; F1244-W1284 HydrophobicContact CZ-CG 3.92Å; F1244-P1304 HydrophobicContact CB-CG 3.42Å; F1244-P1304 VanDerWaalsContact CB-CG 3.42Å; F1244-P1304 HydrophobicContact CD1-CB 4.19Å; F1244-P1304 HydrophobicContact CD1-CG 3.57Å; F1244-P1304 HydrophobicContact CG-CG 3.68Å |
| 1245 | D | 87.3 | Confident | 73.5 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.2 | 175.9 | -57.9 | -36.1 | 0 | 0 | 0 | 109.1 | Y1228 T1229 D1247 W1284 | Y1228-D1245 CarbonylContact O-C 3.47Å; T1229-D1245 WeakPolarHBondContact CG2-OD1 3.46Å; D1245-D1247 VanDerWaalsContact C-N 3.31Å; D1245-W1284 WeakPolarHBondContact O-CH2 3.31Å |
| 1246 | N | 85.2 | Confident | 72.9 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | trans | -87.5 | -2.8 | 176.9 | -170.9 | 49.4 | 0 | 0 | 0 | 112.3 | Y1228 V1230 T1274 R1282 W1284 | Y1228-N1246 PolarHBondContact O-N 3.04Å; V1230-N1246 HydrophobicContact CG2-CB 4.34Å; N1246-T1274 WeakPolarHBondContact OD1-CB 3.3Å; N1246-T1274 PolarHBondContact OD1-OG1 2.99Å; N1246-R1282 PolarHBondContact O-NE 2.94Å; N1246-R1282 PolarHBondContact O-NH1 3.43Å; N1246-W1284 PolarHBondContact OD1-NE1 2.98Å | ||
| 1247 | D | 70.5 | Confident | 72.9 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 29% | 0.289 | 42% | 0.42 | S | S | . | . | trans | -91.5 | 139 | 179.7 | -161.1 | -4.7 | 0 | 0 | 0 | 111.4 | D1245 S1249 | D1245-D1247 VanDerWaalsContact C-N 3.31Å; D1247-S1249 WeakPolarHBondContact OD1-CB 3.48Å; D1247-S1249 PolarHBondContact OD1-N 3.26Å; D1247-S1249 PolarHBondContact OD1-OG 3.3Å; D1247-S1249 PolarHBondContact OD2-OG 3.42Å | ||
| 1248 | S | 59 | Low | 73 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 42% | 0.42 | 39% | 0.392 | S | S | . | . | trans | -118.1 | -3.5 | 173.9 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | R1282 | S1248-R1282 PolarHBondContact OG-NH2 2.81Š| ||
| 1249 | S | 54.1 | Low | 73.3 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -85.9 | 132.2 | -175.1 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | D1247 D1251 | D1247-S1249 WeakPolarHBondContact OD1-CB 3.48Å; D1247-S1249 PolarHBondContact OD1-N 3.26Å; D1247-S1249 PolarHBondContact OD1-OG 3.3Å; D1247-S1249 PolarHBondContact OD2-OG 3.42Å; S1249-D1251 VanDerWaalsContact C-N 3.3Å | ||
| 1250 | M | 45.2 | Very low | 73.7 | Confident | 188 Ų | 188 | 72.7 Ų | 72.7 | 93% | 0.926 | 39% | 0.388 | S | S | * | . | trans | -84.3 | -9.4 | 171.4 | -72.6 | -75.4 | -168.1 | 0 | 0 | 112 | ||||
| 1251 | D | 49.4 | Very low | 73.9 | Confident | 94 Ų | 94 | 69 Ų | 69 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | trans | -98.7 | 109.3 | -173 | -75 | -32.5 | 0 | 0 | 0 | 110.5 | S1249 N1253 | S1249-D1251 VanDerWaalsContact C-N 3.3Å; D1251-N1253 PolarHBondContact O-N 2.97Å | ||
| 1252 | E | 48.4 | Very low | 74.3 | Confident | 178 Ų | 178 | 66.3 Ų | 66.3 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.9 | -179.6 | -66 | -173.5 | 156.8 | 0 | 0 | 114.5 | ||
| 1253 | N | 45.3 | Very low | 74.6 | Confident | 159 Ų | 159 | 66 Ų | 66 | 85% | 0.85 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.2 | -169.2 | -77.9 | -24.9 | 0 | 0 | 0 | 115.5 | D1251 | D1251-N1253 PolarHBondContact O-N 2.97Š|
| 1254 | T | 55.2 | Low | 74.8 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | trans | -138.8 | 77.5 | 177.2 | 38.1 | 0 | 0 | 0 | 0 | 109 | D1256 | T1254-D1256 PolarHBondContact O-N 2.8Š| ||
| 1255 | I | 63 | Low | 74.8 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | trans | -79.2 | 106 | 178.4 | -56.1 | 172.7 | 0 | 0 | 0 | 107.8 | Q1257 | I1255-Q1257 PolarHBondContact O-N 2.82Š| ||
| 1256 | D | 77.1 | Confident | 74.6 | Confident | 31 Ų | 31 | 57 Ų | 57 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -60 | 119.9 | 171.3 | -73.9 | -14.6 | 0 | 0 | 0 | 109.7 | T1254 T1276 H1278 V1280 | T1254-D1256 PolarHBondContact O-N 2.8Å; D1256-T1276 HydrophobicContact CB-CG2 3.9Å; D1256-H1278 WeakPolarHBondContact OD1-CB 3.35Å; D1256-H1278 IonicContact OD1-CD2 3.85Å; D1256-H1278 PolarHBondContact OD1-CD2 3.47Å; D1256-H1278 IonicContact OD1-CG 3.85Å; D1256-V1280 WeakPolarHBondContact OD2-CG2 3.28Å |
| 1257 | Q | 87.3 | Confident | 74.4 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 138.7 | -179.3 | -59.3 | -173 | 20.2 | 0 | 0 | 110.8 | R1211 I1255 A1259 T1276 D1277 | R1211-Q1257 VanDerWaalsContact CZ-OE1 3.3Å; I1255-Q1257 PolarHBondContact O-N 2.82Å; Q1257-A1259 PolarHBondContact O-N 3.49Å; Q1257-T1276 CarbonylContact O-C 3.59Å; Q1257-T1276 WeakPolarHBondContact O-CA 3.38Å; Q1257-T1276 WeakPolarHBondContact O-CB 3.43Å; Q1257-D1277 PolarHBondContact N-OD1 2.86Å; Q1257-D1277 PolarHBondContact O-N 3.08Å |
| 1258 | L | 91.9 | Very high | 74.7 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 120.1 | 170.4 | -170.7 | 78.4 | 0 | 0 | 0 | 110.7 | R1211 G1225 C1226 S1227 Y1260 T1274 | R1211-L1258 WeakPolarHBondContact CD-O 3.48Å; G1225-L1258 VanDerWaalsContact C-CD2 3.5Å; C1226-L1258 WeakPolarHBondContact O-CB 3.45Å; C1226-L1258 VanDerWaalsContact O-CD2 3.32Å; C1226-L1258 WeakPolarHBondContact O-CD2 3.48Å; S1227-L1258 PolarHBondContact O-N 2.79Å; L1258-Y1260 WeakPolarHBondContact CD1-O 3.44Å; L1258-T1274 HydrophobicContact CD1-CG2 3.92Å |
| 1259 | A | 92.4 | Very high | 75.5 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -22.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1257 G1275 D1277 Y1327 | Q1257-A1259 PolarHBondContact O-N 3.49Å; A1259-G1275 PolarHBondContact N-O 3.19Å; A1259-D1277 HydrophobicContact CB-CB 4.48Å; A1259-Y1327 HydrophobicContact CB-CE2 4.43Å |
| 1260 | Y | 94.9 | Very high | 77 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142 | -178.2 | -172.8 | -112.3 | 0 | 0 | 0 | 112.4 | L1258 S1262 L1273 T1274 G1275 Y1327 W1329 | L1258-Y1260 WeakPolarHBondContact CD1-O 3.44Å; Y1260-S1262 VanDerWaalsContact CE1-CB 3.46Å; Y1260-L1273 HydrophobicContact CD1-CD2 3.7Å; Y1260-L1273 HydrophobicContact CE1-CD2 3.57Å; Y1260-T1274 WeakPolarHBondContact O-CA 3.36Å; Y1260-G1275 PolarHBondContact N-O 2.98Å; Y1260-G1275 PolarHBondContact O-N 2.83Å; Y1260-Y1327 VanDerWaalsContact CB-CD2 3.46Å; Y1260-Y1327 VanDerWaalsContact CD1-CB 3.43Å; Y1260-Y1327 HydrophobicContact CD1-CG 4.11Å; Y1260-Y1327 VanDerWaalsContact CE2-O 3.3Å; Y1260-Y1327 WeakPolarHBondContact CE2-O 3.38Å; Y1260-Y1327 HydrophobicContact CG-CD2 4.13Å; Y1260-Y1327 HydrophobicContact CG-CG 4.13Å; Y1260-W1329 PolarHBondContact OH-N 3.41Å; Y1260-W1329 VanDerWaalsContact OH-N 3.14Å |
| 1261 | L | 95.5 | Very high | 79.2 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 127.2 | 175.9 | -178.6 | 68.2 | 0 | 0 | 0 | 107.6 | Q1214 C1223 V1230 V1272 L1273 T1274 | Q1214-L1261 HydrophobicContact CB-CD2 4.09Å; Q1214-L1261 HydrophobicContact CB-CG 4.17Å; C1223-L1261 HydrophobicContact CB-CD2 4.07Å; V1230-L1261 HydrophobicContact CG1-CD1 4.26Å; L1261-V1272 HydrophobicContact CD1-CG1 3.53Å; L1261-L1273 WeakPolarHBondContact CA-O 3.07Å; L1261-T1274 HydrophobicContact CD1-CG2 4Å |
| 1262 | S | 94.9 | Very high | 81.4 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 169.7 | 177 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | Y1260 L1273 | Y1260-S1262 VanDerWaalsContact CE1-CB 3.46Å; S1262-L1273 PolarHBondContact N-O 3.4Å; S1262-L1273 PolarHBondContact O-N 2.78Å |
| 1263 | L | 93.5 | Very high | 83.6 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.1 | 176.8 | -59.4 | 177 | 0 | 0 | 0 | 109.9 | Q1214 F1215 F1216 P1266 F1271 V1272 | Q1214-L1263 HydrophobicContact CG-CD1 4.15Å; Q1214-L1263 HydrophobicContact CG-CG 3.78Å; F1215-L1263 WeakPolarHBondContact O-CD1 3.41Å; F1216-L1263 HydrophobicContact CB-CD1 4.4Å; F1216-L1263 HydrophobicContact CD1-CD1 3.95Å; F1216-L1263 HydrophobicContact CD2-CD1 3.93Å; F1216-L1263 HydrophobicContact CE1-CD1 4.15Å; F1216-L1263 HydrophobicContact CE1-CD2 4.27Å; F1216-L1263 HydrophobicContact CE2-CD1 4.13Å; F1216-L1263 HydrophobicContact CE2-CD2 4.11Å; F1216-L1263 HydrophobicContact CG-CD1 3.83Å; F1216-L1263 HydrophobicContact CZ-CD1 4.24Å; F1216-L1263 HydrophobicContact CZ-CD2 3.86Å; L1263-P1266 HydrophobicContact CB-CB 4.2Å; L1263-F1271 CarbonylContact C-O 3.57Å; L1263-F1271 WeakPolarHBondContact CA-O 3.41Å; L1263-V1272 HydrophobicContact CD2-CG2 4.15Å |
| 1264 | V | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.6 | 171.9 | 179 | 0 | 0 | 0 | 0 | 108.2 | F30 C1270 F1271 L1273 W1329 | F30-V1264 HydrophobicContact CD2-CG1 4.11Å; F30-V1264 HydrophobicContact CE2-CG1 4.49Å; V1264-C1270 CarbonylContact O-C 3.24Å; V1264-C1270 WeakPolarHBondContact O-CA 3.16Å; V1264-F1271 HydrophobicContact CB-CB 4.24Å; V1264-F1271 HydrophobicContact CG1-CD2 4.37Å; V1264-F1271 PolarHBondContact N-O 3.31Å; V1264-F1271 PolarHBondContact O-N 2.75Å; V1264-L1273 HydrophobicContact CG2-CB 3.83Å; V1264-L1273 HydrophobicContact CG2-CD1 4.1Å; V1264-W1329 HydrophobicContact CB-CZ2 4.37Å; V1264-W1329 HydrophobicContact CG1-CH2 4.33Å; V1264-W1329 HydrophobicContact CG1-CZ2 3.64Å; V1264-W1329 HydrophobicContact CG2-CD2 4.12Å; V1264-W1329 HydrophobicContact CG2-CZ2 4.07Å |
| 1265 | N | 88.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 51.2 | 51.7 | -174.6 | -46.7 | -33.2 | 0 | 0 | 0 | 113.2 | V28 S29 F1267 T1268 H1269 C1270 F1271 Q1331 | V28-N1265 WeakPolarHBondContact CA-OD1 3.31Å; S29-N1265 PolarHBondContact N-OD1 3.43Å; S29-N1265 PolarHBondContact O-ND2 3.48Å; N1265-F1267 PolarHBondContact O-N 3.22Å; N1265-T1268 PolarHBondContact O-N 2.57Å; N1265-H1269 WeakPolarHBondContact CB-O 3.41Å; N1265-H1269 PolarHBondContact ND2-O 3.23Å; N1265-C1270 WeakPolarHBondContact O-CA 3.41Å; N1265-C1270 PolarHBondContact O-N 2.78Å; N1265-F1271 VanDerWaalsContact ND2-CE2 3.31Å; N1265-F1271 WeakPolarHBondContact ND2-CE2 3.42Å; N1265-Q1331 PolarHBondContact OD1-NE2 2.87Å |
| 1266 | P | 84.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 14.8 Ų | 14.8 | 12% | 0.117 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.3 | -168.3 | 26.1 | -36.1 | 0 | 0 | 0 | 114.7 | P1217 L1263 | P1217-P1266 HydrophobicContact CG-CB 3.83Å; P1217-P1266 HydrophobicContact CG-CG 4.43Å; L1263-P1266 HydrophobicContact CB-CB 4.2Å |
| 1267 | F | 79.3 | Confident | 90 | Very high | 27 Ų | 27 | 14.7 Ų | 14.7 | 12% | 0.118 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -15.3 | -179.5 | -52.8 | -69.4 | 0 | 0 | 0 | 114 | L16 L26 L1169 R1173 L1177 P1217 N1265 M1516 | L16-F1267 HydrophobicContact CD1-CZ 3.97Å; L16-F1267 HydrophobicContact CD2-CE2 3.66Å; L16-F1267 HydrophobicContact CD2-CZ 3.67Å; L26-F1267 HydrophobicContact CD1-CB 4.31Å; L26-F1267 HydrophobicContact CD1-CD2 4.34Å; L1169-F1267 HydrophobicContact CD1-CB 3.8Å; L1169-F1267 HydrophobicContact CD2-CB 4.38Å; R1173-F1267 PolarHBondContact NE-O 3.17Å; L1177-F1267 HydrophobicContact CD1-CD1 3.78Å; L1177-F1267 HydrophobicContact CD1-CE1 4.28Å; L1177-F1267 HydrophobicContact CD1-CG 4.47Å; L1177-F1267 HydrophobicContact CD2-CD1 3.75Å; L1177-F1267 HydrophobicContact CD2-CE1 3.57Å; L1177-F1267 HydrophobicContact CG-CD1 4.38Å; P1217-F1267 HydrophobicContact CB-CD1 4.5Å; P1217-F1267 HydrophobicContact CB-CE1 3.68Å; P1217-F1267 HydrophobicContact CB-CZ 4.22Å; P1217-F1267 HydrophobicContact CG-CE1 4.02Å; P1217-F1267 HydrophobicContact CG-CZ 4.27Å; N1265-F1267 PolarHBondContact O-N 3.22Å; F1267-M1516 HydrophobicContact CE1-SD 4.19Å; F1267-M1516 HydrophobicContact CZ-SD 4.46Å |
| 1268 | T | 76.8 | Confident | 90.1 | Very high | 23 Ų | 23 | 14.2 Ų | 14.2 | 14% | 0.141 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -125.1 | -115.1 | -176.8 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | L1169 N1265 C1270 I1289 | L1169-T1268 HydrophobicContact CD1-CG2 3.7Å; N1265-T1268 PolarHBondContact O-N 2.57Å; T1268-C1270 PolarHBondContact O-N 3.42Å; T1268-I1289 WeakPolarHBondContact O-CG2 3.43Å |
| 1269 | H | 75.7 | Confident | 90 | Very high | 13 Ų | 13 | 13.9 Ų | 13.9 | 6% | 0.06 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -78.5 | 72.8 | -177.6 | -58.3 | 35.7 | 0 | 0 | 0 | 109.3 | V31 N1265 F1271 D1291 | V31-H1269 HydrophobicContact CG2-CB 4.12Å; N1265-H1269 WeakPolarHBondContact CB-O 3.41Å; N1265-H1269 PolarHBondContact ND2-O 3.23Å; H1269-F1271 HydrophobicContact CB-CE1 4.09Å; H1269-F1271 HydrophobicContact CB-CE2 4.39Å; H1269-F1271 HydrophobicContact CB-CZ 3.75Å; H1269-F1271 WeakPolarHBondContact O-CD1 3.47Å; H1269-F1271 WeakPolarHBondContact O-CD2 3.31Å; H1269-F1271 VanDerWaalsContact O-CE1 3.3Å; H1269-F1271 WeakPolarHBondContact O-CE1 3.33Å; H1269-F1271 WeakPolarHBondContact O-CE2 3.44Å; H1269-F1271 WeakPolarHBondContact O-CG 3.4Å; H1269-F1271 WeakPolarHBondContact O-CZ 3.39Å; H1269-F1271 PolarHBondContact O-N 3.01Å; H1269-D1291 IonicContact CE1-OD2 3.55Å |
| 1270 | C | 86.4 | Confident | 90 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -66 | 121.2 | -168.6 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | F1216 V1264 N1265 T1268 I1289 | F1216-C1270 HydrophobicContact CE1-CB 4.24Å; F1216-C1270 WeakPolarHBondContact CE1-SG 3.43Å; V1264-C1270 CarbonylContact O-C 3.24Å; V1264-C1270 WeakPolarHBondContact O-CA 3.16Å; N1265-C1270 WeakPolarHBondContact O-CA 3.41Å; N1265-C1270 PolarHBondContact O-N 2.78Å; T1268-C1270 PolarHBondContact O-N 3.42Å; C1270-I1289 HydrophobicContact CB-CB 4.26Å; C1270-I1289 HydrophobicContact CB-CD1 3.57Å; C1270-I1289 HydrophobicContact CB-CG1 4.37Å | ||
| 1271 | F | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 150.1 | 176.3 | -48.7 | -46.9 | 0 | 0 | 0 | 110.8 | S29 F30 V31 R34 L1263 V1264 N1265 H1269 V1283 W1284 D1285 L1307 | S29-F1271 WeakPolarHBondContact O-CE2 3.43Å; F30-F1271 HydrophobicContact CB-CD2 4.2Å; F30-F1271 HydrophobicContact CB-CE2 4.03Å; V31-F1271 HydrophobicContact CG2-CE2 4.35Å; V31-F1271 HydrophobicContact CG2-CZ 4.47Å; R34-F1271 HydrophobicContact CB-CZ 4.41Å; L1263-F1271 CarbonylContact C-O 3.57Å; L1263-F1271 WeakPolarHBondContact CA-O 3.41Å; V1264-F1271 HydrophobicContact CB-CB 4.24Å; V1264-F1271 HydrophobicContact CG1-CD2 4.37Å; V1264-F1271 PolarHBondContact N-O 3.31Å; V1264-F1271 PolarHBondContact O-N 2.75Å; N1265-F1271 VanDerWaalsContact ND2-CE2 3.31Å; N1265-F1271 WeakPolarHBondContact ND2-CE2 3.42Å; H1269-F1271 HydrophobicContact CB-CE1 4.09Å; H1269-F1271 HydrophobicContact CB-CE2 4.39Å; H1269-F1271 HydrophobicContact CB-CZ 3.75Å; H1269-F1271 WeakPolarHBondContact O-CD1 3.47Å; H1269-F1271 WeakPolarHBondContact O-CD2 3.31Å; H1269-F1271 VanDerWaalsContact O-CE1 3.3Å; H1269-F1271 WeakPolarHBondContact O-CE1 3.33Å; H1269-F1271 WeakPolarHBondContact O-CE2 3.44Å; H1269-F1271 WeakPolarHBondContact O-CG 3.4Å; H1269-F1271 WeakPolarHBondContact O-CZ 3.39Å; H1269-F1271 PolarHBondContact O-N 3.01Å; F1271-V1283 HydrophobicContact CB-CG1 3.81Å; F1271-V1283 HydrophobicContact CD2-CG1 4.44Å; F1271-V1283 HydrophobicContact CG-CG1 4.34Å; F1271-W1284 CarbonylContact C-O 3.57Å; F1271-W1284 WeakPolarHBondContact CA-O 3.43Å; F1271-W1284 WeakPolarHBondContact CB-O 3.26Å; F1271-D1285 HydrophobicContact CD1-CB 4.16Å; F1271-D1285 HydrophobicContact CE1-CB 4.3Å; F1271-L1307 HydrophobicContact CD1-CD1 3.79Å; F1271-L1307 HydrophobicContact CD2-CD1 4.18Å; F1271-L1307 HydrophobicContact CE1-CD1 3.72Å; F1271-L1307 HydrophobicContact CE2-CD1 4.1Å; F1271-L1307 HydrophobicContact CG-CD1 4.03Å; F1271-L1307 HydrophobicContact CZ-CD1 3.87Å |
| 1272 | V | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.1 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 109 | V1230 F1244 L1261 L1263 T1274 V1283 W1284 | V1230-V1272 HydrophobicContact CG1-CG1 4.24Å; F1244-V1272 HydrophobicContact CZ-CB 4.22Å; F1244-V1272 HydrophobicContact CZ-CG1 4.17Å; L1261-V1272 HydrophobicContact CD1-CG1 3.53Å; L1263-V1272 HydrophobicContact CD2-CG2 4.15Å; V1272-T1274 HydrophobicContact CG1-CG2 4.28Å; V1272-V1283 WeakPolarHBondContact O-CA 3.45Å; V1272-W1284 HydrophobicContact CB-CB 4.31Å; V1272-W1284 PolarHBondContact N-O 3.44Å; V1272-W1284 PolarHBondContact O-N 3.46Å |
| 1273 | L | 96.2 | Very high | 90 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.5 | 175.5 | 177.3 | 132.8 | 0 | 0 | 0 | 109.8 | Y1260 L1261 S1262 V1264 V1281 R1282 V1283 L1336 | Y1260-L1273 HydrophobicContact CD1-CD2 3.7Å; Y1260-L1273 HydrophobicContact CE1-CD2 3.57Å; L1261-L1273 WeakPolarHBondContact CA-O 3.07Å; S1262-L1273 PolarHBondContact N-O 3.4Å; S1262-L1273 PolarHBondContact O-N 2.78Å; V1264-L1273 HydrophobicContact CG2-CB 3.83Å; V1264-L1273 HydrophobicContact CG2-CD1 4.1Å; L1273-V1281 HydrophobicContact CD1-CG1 4.13Å; L1273-V1281 HydrophobicContact CG-CG1 4.4Å; L1273-R1282 WeakPolarHBondContact CA-O 3.47Å; L1273-V1283 HydrophobicContact CD1-CG2 4.11Å; L1273-L1336 HydrophobicContact CD1-CD1 4.46Å; L1273-L1336 HydrophobicContact CD2-CD1 4.08Å |
| 1274 | T | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.7 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | V1230 N1246 L1258 Y1260 L1261 V1272 V1281 R1282 | V1230-T1274 HydrophobicContact CG2-CG2 3.94Å; N1246-T1274 WeakPolarHBondContact OD1-CB 3.3Å; N1246-T1274 PolarHBondContact OD1-OG1 2.99Å; L1258-T1274 HydrophobicContact CD1-CG2 3.92Å; Y1260-T1274 WeakPolarHBondContact O-CA 3.36Å; L1261-T1274 HydrophobicContact CD1-CG2 4Å; V1272-T1274 HydrophobicContact CG1-CG2 4.28Å; T1274-V1281 WeakPolarHBondContact O-CA 3.37Å; T1274-R1282 PolarHBondContact N-O 3.15Å; T1274-R1282 PolarHBondContact O-N 2.66Å; T1274-R1282 WeakPolarHBondContact OG1-CB 3.24Å |
| 1275 | G | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1259 Y1260 V1280 | A1259-G1275 PolarHBondContact N-O 3.19Å; Y1260-G1275 PolarHBondContact N-O 2.98Å; Y1260-G1275 PolarHBondContact O-N 2.83Å; G1275-V1280 CarbonylContact C-O 3.46Å; G1275-V1280 WeakPolarHBondContact CA-O 3.32Å |
| 1276 | T | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 161.1 | 178.2 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | D1256 Q1257 H1278 G1279 V1280 Y1327 | D1256-T1276 HydrophobicContact CB-CG2 3.9Å; Q1257-T1276 CarbonylContact O-C 3.59Å; Q1257-T1276 WeakPolarHBondContact O-CA 3.38Å; Q1257-T1276 WeakPolarHBondContact O-CB 3.43Å; T1276-H1278 PolarHBondContact O-N 3.39Å; T1276-G1279 PolarHBondContact O-N 2.94Å; T1276-G1279 VanDerWaalsContact O-N 3.08Å; T1276-G1279 PolarHBondContact OG1-N 2.81Å; T1276-V1280 HydrophobicContact CG2-CB 4.13Å; T1276-V1280 PolarHBondContact N-O 2.89Å; T1276-V1280 WeakPolarHBondContact OG1-CB 3.22Å; T1276-V1280 PolarHBondContact OG1-N 2.59Å; T1276-Y1327 PolarHBondContact N-OH 3.23Å; T1276-Y1327 WeakPolarHBondContact O-CE2 3.44Å; T1276-Y1327 PolarHBondContact O-OH 2.84Å |
| 1277 | D | 91.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 12.1 Ų | 12.1 | 16% | 0.155 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.1 | 171.5 | 57 | -8.1 | 0 | 0 | 0 | 112.9 | Q1257 A1259 G1279 R1318 P1323 T1325 | Q1257-D1277 PolarHBondContact N-OD1 2.86Å; Q1257-D1277 PolarHBondContact O-N 3.08Å; A1259-D1277 HydrophobicContact CB-CB 4.48Å; D1277-G1279 VanDerWaalsContact C-N 3.31Å; D1277-G1279 PolarHBondContact O-N 3.45Å; D1277-R1318 PolarHBondContact O-NH2 3.35Å; D1277-R1318 VanDerWaalsContact O-NH2 3.16Å; D1277-P1323 HydrophobicContact CB-CG 4.45Å; D1277-T1325 WeakPolarHBondContact O-CB 3.41Å; D1277-T1325 PolarHBondContact O-OG1 3.27Å |
| 1278 | H | 88.1 | Confident | 88.7 | Confident | 67 Ų | 67 | 13.7 Ų | 13.7 | 31% | 0.31 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4 | 176.2 | -76.7 | -78.6 | 0 | 0 | 0 | 115.4 | D1256 T1276 R1318 | D1256-H1278 WeakPolarHBondContact OD1-CB 3.35Å; D1256-H1278 IonicContact OD1-CD2 3.85Å; D1256-H1278 PolarHBondContact OD1-CD2 3.47Å; D1256-H1278 IonicContact OD1-CG 3.85Å; T1276-H1278 PolarHBondContact O-N 3.39Å; H1278-R1318 PolarHBondContact O-NH2 2.86Å |
| 1279 | G | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 98.8 | 10.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1276 D1277 A1312 Y1327 | T1276-G1279 PolarHBondContact O-N 2.94Å; T1276-G1279 VanDerWaalsContact O-N 3.08Å; T1276-G1279 PolarHBondContact OG1-N 2.81Å; D1277-G1279 VanDerWaalsContact C-N 3.31Å; D1277-G1279 PolarHBondContact O-N 3.45Å; G1279-A1312 WeakPolarHBondContact O-CB 3.28Å; G1279-A1312 PolarHBondContact O-N 3.14Å; G1279-Y1327 VanDerWaalsContact C-OH 3.27Å; G1279-Y1327 WeakPolarHBondContact CA-OH 3.33Å |
| 1280 | V | 92.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 16.8 Ų | 16.8 | 7% | 0.073 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.9 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | P960 D1256 G1275 T1276 R1282 | P960-V1280 HydrophobicContact CB-CG1 3.47Å; P960-V1280 VanDerWaalsContact CB-CG1 3.47Å; P960-V1280 HydrophobicContact CG-CG1 4Å; D1256-V1280 WeakPolarHBondContact OD2-CG2 3.28Å; G1275-V1280 CarbonylContact C-O 3.46Å; G1275-V1280 WeakPolarHBondContact CA-O 3.32Å; T1276-V1280 HydrophobicContact CG2-CB 4.13Å; T1276-V1280 PolarHBondContact N-O 2.89Å; T1276-V1280 WeakPolarHBondContact OG1-CB 3.22Å; T1276-V1280 PolarHBondContact OG1-N 2.59Å; V1280-R1282 HydrophobicContact CG1-CG 4.29Å |
| 1281 | V | 95.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | L1273 T1274 A1309 W1310 A1312 Y1327 L1336 | L1273-V1281 HydrophobicContact CD1-CG1 4.13Å; L1273-V1281 HydrophobicContact CG-CG1 4.4Å; T1274-V1281 WeakPolarHBondContact O-CA 3.37Å; V1281-A1309 CarbonylContact O-C 3.59Å; V1281-A1309 VanDerWaalsContact O-CA 3.22Å; V1281-A1309 WeakPolarHBondContact O-CA 3.49Å; V1281-W1310 HydrophobicContact CB-CD2 4.01Å; V1281-W1310 HydrophobicContact CB-CE3 4.3Å; V1281-W1310 HydrophobicContact CB-CH2 4.15Å; V1281-W1310 HydrophobicContact CB-CZ2 3.87Å; V1281-W1310 HydrophobicContact CB-CZ3 4.35Å; V1281-W1310 HydrophobicContact CG1-CD2 4.36Å; V1281-W1310 HydrophobicContact CG1-CE3 4.29Å; V1281-W1310 HydrophobicContact CG1-CH2 3.43Å; V1281-W1310 VanDerWaalsContact CG1-CH2 3.43Å; V1281-W1310 HydrophobicContact CG1-CZ2 3.52Å; V1281-W1310 HydrophobicContact CG1-CZ3 3.84Å; V1281-W1310 HydrophobicContact CG2-CZ2 4.27Å; V1281-W1310 PolarHBondContact N-O 3.13Å; V1281-W1310 PolarHBondContact O-N 3.42Å; V1281-A1312 HydrophobicContact CG2-CB 3.83Å; V1281-Y1327 HydrophobicContact CG2-CD1 4.29Å; V1281-Y1327 HydrophobicContact CG2-CE1 3.65Å; V1281-L1336 HydrophobicContact CB-CD2 4.48Å; V1281-L1336 HydrophobicContact CG1-CD2 3.87Å; V1281-L1336 HydrophobicContact CG2-CD2 3.85Å |
| 1282 | R | 94.5 | Very high | 84.1 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.1 | 173.6 | -56.8 | -176.7 | 179.7 | 83.8 | -2.6 | 110.9 | N1246 S1248 L1273 T1274 V1280 L1306 A1308 A1309 | N1246-R1282 PolarHBondContact O-NE 2.94Å; N1246-R1282 PolarHBondContact O-NH1 3.43Å; S1248-R1282 PolarHBondContact OG-NH2 2.81Å; L1273-R1282 WeakPolarHBondContact CA-O 3.47Å; T1274-R1282 PolarHBondContact N-O 3.15Å; T1274-R1282 PolarHBondContact O-N 2.66Å; T1274-R1282 WeakPolarHBondContact OG1-CB 3.24Å; V1280-R1282 HydrophobicContact CG1-CG 4.29Å; R1282-L1306 HydrophobicContact CB-CD1 3.86Å; R1282-L1306 HydrophobicContact CG-CD1 4.31Å; R1282-A1308 CarbonylContact C-O 3.58Å; R1282-A1308 WeakPolarHBondContact CA-O 3.43Å; R1282-A1309 HydrophobicContact CG-CB 4.07Å |
| 1283 | V | 94.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 176.9 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | F30 F1271 V1272 L1273 L1307 A1308 W1310 | F30-V1283 HydrophobicContact CD2-CG1 4.1Å; F30-V1283 HydrophobicContact CD2-CG2 4.34Å; F30-V1283 HydrophobicContact CE2-CG2 3.97Å; F30-V1283 HydrophobicContact CG-CG1 4.48Å; F30-V1283 HydrophobicContact CZ-CG2 4.16Å; F1271-V1283 HydrophobicContact CB-CG1 3.81Å; F1271-V1283 HydrophobicContact CD2-CG1 4.44Å; F1271-V1283 HydrophobicContact CG-CG1 4.34Å; V1272-V1283 WeakPolarHBondContact O-CA 3.45Å; L1273-V1283 HydrophobicContact CD1-CG2 4.11Å; V1283-L1307 HydrophobicContact CG1-CB 4.5Å; V1283-L1307 PolarHBondContact O-N 3.33Å; V1283-A1308 HydrophobicContact CB-CB 4.23Å; V1283-A1308 HydrophobicContact CG2-CB 4.31Å; V1283-A1308 PolarHBondContact N-O 3.32Å; V1283-A1308 PolarHBondContact O-N 3.09Å; V1283-W1310 HydrophobicContact CG2-CH2 4.4Å; V1283-W1310 HydrophobicContact CG2-CZ3 4.12Å |
| 1284 | W | 91.7 | Very high | 79.6 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.5 | -173.4 | -60.2 | 90.9 | 0 | 0 | 0 | 111.3 | F1244 D1245 N1246 F1271 V1272 N1305 L1306 | F1244-W1284 AromaticContact CD2-CD2 3.76Å; F1244-W1284 HydrophobicContact CD2-CD2 3.76Å; F1244-W1284 AromaticContact CD2-CE2 3.96Å; F1244-W1284 AromaticContact CD2-CE3 3.98Å; F1244-W1284 HydrophobicContact CD2-CE3 3.98Å; F1244-W1284 HydrophobicContact CD2-CG 4.11Å; F1244-W1284 HydrophobicContact CD2-CZ2 4.35Å; F1244-W1284 HydrophobicContact CD2-CZ3 4.34Å; F1244-W1284 HydrophobicContact CE2-CB 3.91Å; F1244-W1284 AromaticContact CE2-CD1 3.58Å; F1244-W1284 AromaticContact CE2-CD2 3.57Å; F1244-W1284 HydrophobicContact CE2-CD2 3.57Å; F1244-W1284 AromaticContact CE2-CE2 3.81Å; F1244-W1284 HydrophobicContact CE2-CE3 4.2Å; F1244-W1284 AromaticContact CE2-CG 3.42Å; F1244-W1284 HydrophobicContact CE2-CG 3.42Å; F1244-W1284 VanDerWaalsContact CE2-CG 3.42Å; F1244-W1284 AromaticContact CE2-NE1 3.78Å; F1244-W1284 HydrophobicContact CZ-CB 3.9Å; F1244-W1284 HydrophobicContact CZ-CD2 4.43Å; F1244-W1284 AromaticContact CZ-CG 3.92Å; F1244-W1284 HydrophobicContact CZ-CG 3.92Å; D1245-W1284 WeakPolarHBondContact O-CH2 3.31Å; N1246-W1284 PolarHBondContact OD1-NE1 2.98Å; F1271-W1284 CarbonylContact C-O 3.57Å; F1271-W1284 WeakPolarHBondContact CA-O 3.43Å; F1271-W1284 WeakPolarHBondContact CB-O 3.26Å; V1272-W1284 HydrophobicContact CB-CB 4.31Å; V1272-W1284 PolarHBondContact N-O 3.44Å; V1272-W1284 PolarHBondContact O-N 3.46Å; W1284-N1305 WeakPolarHBondContact CA-O 3.3Å; W1284-L1306 HydrophobicContact CD2-CD1 3.86Å; W1284-L1306 HydrophobicContact CE3-CB 3.93Å; W1284-L1306 HydrophobicContact CE3-CD1 4.07Å; W1284-L1306 HydrophobicContact CG-CD1 4.49Å; W1284-L1306 HydrophobicContact CH2-CB 4.19Å; W1284-L1306 HydrophobicContact CH2-CD1 4.07Å; W1284-L1306 HydrophobicContact CZ2-CD1 3.84Å; W1284-L1306 HydrophobicContact CZ3-CB 3.73Å; W1284-L1306 HydrophobicContact CZ3-CD1 4.18Å; W1284-L1306 HydrophobicContact CZ3-CG 4.45Å |
| 1285 | D | 87.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 105.9 | 167.6 | -171.7 | 1.8 | 0 | 0 | 0 | 109.4 | R34 F1271 Q1287 P1304 N1305 L1307 | R34-D1285 WeakPolarHBondContact CD-OD2 3.35Å; R34-D1285 IonicContact CZ-OD1 3.89Å; R34-D1285 IonicContact CZ-OD2 2.73Å; R34-D1285 IonicContact NE-OD2 3.18Å; R34-D1285 PolarHBondContact NE-OD2 3.42Å; R34-D1285 IonicContact NH2-OD2 3.42Å; F1271-D1285 HydrophobicContact CD1-CB 4.16Å; F1271-D1285 HydrophobicContact CE1-CB 4.3Å; D1285-Q1287 WeakPolarHBondContact OD1-CA 3.28Å; D1285-Q1287 PolarHBondContact OD1-N 3.46Å; D1285-P1304 WeakPolarHBondContact O-CA 3.49Å; D1285-P1304 WeakPolarHBondContact O-CB 3.49Å; D1285-N1305 HydrophobicContact CB-CB 4.38Å; D1285-N1305 PolarHBondContact N-O 3.49Å; D1285-N1305 PolarHBondContact O-N 2.92Å; D1285-L1307 HydrophobicContact CB-CD1 3.93Å; D1285-L1307 HydrophobicContact CB-CD2 4.11Å; D1285-L1307 HydrophobicContact CB-CG 3.91Å |
| 1286 | S | 78.8 | Confident | 74.3 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -76.6 | -13.4 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | L1288 | S1286-L1288 PolarHBondContact O-N 2.88Å; S1286-L1288 VanDerWaalsContact O-N 3.13Å | ||
| 1287 | Q | 76.7 | Confident | 71.5 | Confident | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | trans | 58.1 | 18.2 | -178.5 | -55.7 | 175.1 | 24.2 | 0 | 0 | 114.4 | W38 D1285 I1290 | W38-Q1287 HydrophobicContact CZ2-CG 4.39Å; D1285-Q1287 WeakPolarHBondContact OD1-CA 3.28Å; D1285-Q1287 PolarHBondContact OD1-N 3.46Å; Q1287-I1290 HydrophobicContact CB-CD1 4.25Å; Q1287-I1290 WeakPolarHBondContact O-CD1 3.39Å; Q1287-I1290 WeakPolarHBondContact O-CG1 3.44Å | ||
| 1288 | L | 74.3 | Confident | 69.2 | Low | 60 Ų | 60 | 56.2 Ų | 56.2 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -82.7 | -28.6 | -177.7 | -63 | 174.5 | 0 | 0 | 0 | 113 | M1221 V1232 L1241 A1242 S1286 | M1221-L1288 HydrophobicContact CE-CB 4.01Å; M1221-L1288 HydrophobicContact CE-CD1 3.47Å; M1221-L1288 VanDerWaalsContact CE-CD1 3.47Å; M1221-L1288 HydrophobicContact CE-CG 4.32Å; V1232-L1288 HydrophobicContact CB-CD1 3.93Å; V1232-L1288 HydrophobicContact CG1-CD1 3.61Å; V1232-L1288 HydrophobicContact CG2-CD1 4.27Å; L1241-L1288 HydrophobicContact CB-CD1 3.99Å; L1241-L1288 HydrophobicContact CB-CD2 3.94Å; L1241-L1288 HydrophobicContact CD1-CD1 4.37Å; A1242-L1288 HydrophobicContact CB-CD1 4.19Å; S1286-L1288 PolarHBondContact O-N 2.88Å; S1286-L1288 VanDerWaalsContact O-N 3.13Å |
| 1289 | I | 68.7 | Low | 66.9 | Low | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -120 | 106.2 | 176.2 | -54.6 | 163.9 | 0 | 0 | 0 | 107.1 | F1216 D1219 T1268 C1270 | F1216-I1289 HydrophobicContact CD1-CD1 3.77Å; F1216-I1289 HydrophobicContact CE1-CD1 3.92Å; D1219-I1289 WeakPolarHBondContact OD2-CD1 3.41Å; T1268-I1289 WeakPolarHBondContact O-CG2 3.43Å; C1270-I1289 HydrophobicContact CB-CB 4.26Å; C1270-I1289 HydrophobicContact CB-CD1 3.57Å; C1270-I1289 HydrophobicContact CB-CG1 4.37Å |
| 1290 | I | 61.7 | Low | 64.4 | Low | 84 Ų | 84 | 68.3 Ų | 68.3 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | trans | -123.9 | 138.9 | -179.9 | -40.6 | -170.7 | 0 | 0 | 0 | 107.4 | Q1287 M1294 | Q1287-I1290 HydrophobicContact CB-CD1 4.25Å; Q1287-I1290 WeakPolarHBondContact O-CD1 3.39Å; Q1287-I1290 WeakPolarHBondContact O-CG1 3.44Å; I1290-M1294 HydrophobicContact CG2-CB 4.12Å | ||
| 1291 | D | 55.7 | Low | 62.1 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | trans | -68 | 141.8 | 173.7 | -136.6 | -31.1 | 0 | 0 | 0 | 110.9 | H1269 D1293 M1294 | H1269-D1291 IonicContact CE1-OD2 3.55Å; D1291-D1293 PolarHBondContact O-N 2.79Å; D1291-M1294 PolarHBondContact O-N 3.48Å | ||
| 1292 | E | 49.3 | Very low | 60.1 | Low | 158 Ų | 158 | 81.3 Ų | 81.3 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.4 | -25.2 | 179.5 | -76.7 | -171.3 | 160.3 | 0 | 0 | 111.5 | M1294 L1295 | E1292-M1294 PolarHBondContact O-N 2.88Å; E1292-L1295 WeakPolarHBondContact O-CD1 3.45Å; E1292-L1295 WeakPolarHBondContact O-CG 3.49Å; E1292-L1295 PolarHBondContact O-N 3.26Å |
| 1293 | D | 46.4 | Very low | 58.7 | Low | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -73.7 | -6.1 | -179.7 | -67.3 | -44.3 | 0 | 0 | 0 | 114.2 | T1165 D1291 L1295 | T1165-D1293 WeakPolarHBondContact CB-OD2 3.42Å; T1165-D1293 WeakPolarHBondContact CG2-OD2 3.41Å; D1291-D1293 PolarHBondContact O-N 2.79Å; D1293-L1295 VanDerWaalsContact C-N 3.26Å; D1293-L1295 PolarHBondContact O-N 2.83Å |
| 1294 | M | 49.9 | Very low | 57.7 | Low | 89 Ų | 89 | 90.4 Ų | 90.4 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -90 | 21.8 | 174.7 | -64.6 | -67.1 | -73.3 | 0 | 0 | 113.1 | I1290 D1291 E1292 D1296 | I1290-M1294 HydrophobicContact CG2-CB 4.12Å; D1291-M1294 PolarHBondContact O-N 3.48Å; E1292-M1294 PolarHBondContact O-N 2.88Å; M1294-D1296 VanDerWaalsContact C-N 3.3Å; M1294-D1296 PolarHBondContact O-N 3.34Å |
| 1295 | L | 37.9 | Very low | 57.2 | Low | 138 Ų | 138 | 91.4 Ų | 91.4 | 72% | 0.723 | 47% | 0.468 | S | S | * | . | trans | -64.6 | 77.7 | -178.9 | -84.6 | 161.5 | 0 | 0 | 0 | 113.4 | E1292 D1293 | E1292-L1295 WeakPolarHBondContact O-CD1 3.45Å; E1292-L1295 WeakPolarHBondContact O-CG 3.49Å; E1292-L1295 PolarHBondContact O-N 3.26Å; D1293-L1295 VanDerWaalsContact C-N 3.26Å; D1293-L1295 PolarHBondContact O-N 2.83Å | ||
| 1296 | D | 40.2 | Very low | 57.3 | Low | 127 Ų | 127 | 93.6 Ų | 93.6 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | S | Bend | -106.8 | 124.3 | 127.4 | -87 | -36.1 | 0 | 0 | 0 | 106.8 | M1294 I1298 | M1294-D1296 VanDerWaalsContact C-N 3.3Å; M1294-D1296 PolarHBondContact O-N 3.34Å; D1296-I1298 WeakPolarHBondContact O-CG1 3.34Å; D1296-I1298 PolarHBondContact O-N 3.21Å | |
| 1297 | P | 34.5 | Very low | 57.8 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 70% | 0.695 | 48% | 0.482 | S | S | * | . | trans | -69.7 | 104.2 | -177.5 | 22.5 | -22.6 | 0 | 0 | 0 | 109.4 | D1299 | P1297-D1299 PolarHBondContact O-N 2.87Š| ||
| 1298 | I | 43.1 | Very low | 58.5 | Low | 96 Ų | 96 | 92.6 Ų | 92.6 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | trans | -84.9 | 90.5 | 178.1 | -54.7 | -177.5 | 0 | 0 | 0 | 109 | W38 D1296 M1300 L1301 | W38-I1298 HydrophobicContact CD2-CD1 4.28Å; W38-I1298 HydrophobicContact CE3-CD1 3.51Å; W38-I1298 HydrophobicContact CH2-CD1 4.14Å; W38-I1298 HydrophobicContact CZ3-CD1 3.39Å; W38-I1298 HydrophobicContact CZ3-CG2 4.03Å; D1296-I1298 WeakPolarHBondContact O-CG1 3.34Å; D1296-I1298 PolarHBondContact O-N 3.21Å; I1298-M1300 HydrophobicContact CG2-CB 4.19Å; I1298-M1300 PolarHBondContact O-N 3.14Å; I1298-M1300 VanDerWaalsContact O-N 3.07Å; I1298-L1301 HydrophobicContact CG2-CD1 4.04Å | ||
| 1299 | D | 39.4 | Very low | 59.4 | Low | 158 Ų | 158 | 89.7 Ų | 89.7 | 85% | 0.845 | 46% | 0.46 | S | S | * | . | trans | -70.2 | 16.5 | 169.3 | -89.9 | -24.9 | 0 | 0 | 0 | 113.6 | P1297 | P1297-D1299 PolarHBondContact O-N 2.87Š| ||
| 1300 | M | 38.3 | Very low | 60.7 | Low | 163 Ų | 163 | 89.7 Ų | 89.7 | 80% | 0.803 | 46% | 0.459 | S | S | * | . | trans | -135.4 | 15.1 | -153.7 | -74.5 | -98.9 | -82.3 | 0 | 0 | 118.8 | I1298 | I1298-M1300 HydrophobicContact CG2-CB 4.19Å; I1298-M1300 PolarHBondContact O-N 3.14Å; I1298-M1300 VanDerWaalsContact O-N 3.07Å | ||
| 1301 | L | 46.1 | Very low | 62.1 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 45% | 0.45 | 45% | 0.448 | S | S | . | . | trans | -126.7 | 109.5 | 165.9 | -82.5 | 93 | 0 | 0 | 0 | 113.8 | W38 I1298 K1303 | W38-L1301 HydrophobicContact CE3-CD1 4.4Å; W38-L1301 HydrophobicContact CH2-CD1 3.65Å; W38-L1301 HydrophobicContact CH2-CD2 4.21Å; W38-L1301 HydrophobicContact CH2-CG 4.42Å; W38-L1301 HydrophobicContact CZ3-CD1 3.31Å; W38-L1301 HydrophobicContact CZ3-CD2 4.49Å; W38-L1301 HydrophobicContact CZ3-CG 4.46Å; I1298-L1301 HydrophobicContact CG2-CD1 4.04Å; L1301-K1303 PolarHBondContact O-N 3.4Å | ||
| 1302 | E | 52 | Low | 63.9 | Low | 199 Ų | 199 | 85.7 Ų | 85.7 | 93% | 0.93 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -75 | -4.3 | 172.2 | -71 | -177.1 | 157.9 | 0 | 0 | 113.6 | ||
| 1303 | K | 64.6 | Low | 65.9 | Low | 164 Ų | 164 | 78.3 Ų | 78.3 | 71% | 0.713 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -139.1 | 143.2 | -172.4 | -67.8 | -171.6 | 178.9 | -173.6 | 0 | 113.9 | L1301 | L1301-K1303 PolarHBondContact O-N 3.4Š|
| 1304 | P | 75.2 | Confident | 67.5 | Low | 31 Ų | 31 | 76 Ų | 76 | 20% | 0.201 | 39% | 0.39 | C | S | . | . | trans | -67.2 | 150.2 | 175.7 | 26.9 | -32.2 | 0 | 0 | 0 | 112 | F1244 D1285 | F1244-P1304 HydrophobicContact CB-CG 3.42Å; F1244-P1304 VanDerWaalsContact CB-CG 3.42Å; F1244-P1304 HydrophobicContact CD1-CB 4.19Å; F1244-P1304 HydrophobicContact CD1-CG 3.57Å; F1244-P1304 HydrophobicContact CG-CG 3.68Å; D1285-P1304 WeakPolarHBondContact O-CA 3.49Å; D1285-P1304 WeakPolarHBondContact O-CB 3.49Å | ||
| 1305 | N | 81.7 | Confident | 68.9 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.7 | -169.9 | -168.1 | 12 | 0 | 0 | 0 | 111.6 | W1284 D1285 L1307 | W1284-N1305 WeakPolarHBondContact CA-O 3.3Å; D1285-N1305 HydrophobicContact CB-CB 4.38Å; D1285-N1305 PolarHBondContact N-O 3.49Å; D1285-N1305 PolarHBondContact O-N 2.92Å; N1305-L1307 PolarHBondContact O-N 3.11Å |
| 1306 | L | 88.4 | Confident | 70.9 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.3 | 174.1 | -179.4 | 65.4 | 0 | 0 | 0 | 109.2 | R1282 W1284 A1309 | R1282-L1306 HydrophobicContact CB-CD1 3.86Å; R1282-L1306 HydrophobicContact CG-CD1 4.31Å; W1284-L1306 HydrophobicContact CD2-CD1 3.86Å; W1284-L1306 HydrophobicContact CE3-CB 3.93Å; W1284-L1306 HydrophobicContact CE3-CD1 4.07Å; W1284-L1306 HydrophobicContact CG-CD1 4.49Å; W1284-L1306 HydrophobicContact CH2-CB 4.19Å; W1284-L1306 HydrophobicContact CH2-CD1 4.07Å; W1284-L1306 HydrophobicContact CZ2-CD1 3.84Å; W1284-L1306 HydrophobicContact CZ3-CB 3.73Å; W1284-L1306 HydrophobicContact CZ3-CD1 4.18Å; W1284-L1306 HydrophobicContact CZ3-CG 4.45Å; L1306-A1309 HydrophobicContact CD1-CB 4.39Å; L1306-A1309 HydrophobicContact CD2-CB 4.22Å |
| 1307 | L | 89.2 | Confident | 73 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -45.4 | -177.5 | -64.2 | -177.6 | 0 | 0 | 0 | 112.7 | R34 F1271 V1283 D1285 N1305 | R34-L1307 HydrophobicContact CB-CD2 4.4Å; F1271-L1307 HydrophobicContact CD1-CD1 3.79Å; F1271-L1307 HydrophobicContact CD2-CD1 4.18Å; F1271-L1307 HydrophobicContact CE1-CD1 3.72Å; F1271-L1307 HydrophobicContact CE2-CD1 4.1Å; F1271-L1307 HydrophobicContact CG-CD1 4.03Å; F1271-L1307 HydrophobicContact CZ-CD1 3.87Å; V1283-L1307 HydrophobicContact CG1-CB 4.5Å; V1283-L1307 PolarHBondContact O-N 3.33Å; D1285-L1307 HydrophobicContact CB-CD1 3.93Å; D1285-L1307 HydrophobicContact CB-CD2 4.11Å; D1285-L1307 HydrophobicContact CB-CG 3.91Å; N1305-L1307 PolarHBondContact O-N 3.11Å |
| 1308 | A | 92.6 | Very high | 75.6 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F30 L33 R1282 V1283 W1310 | F30-A1308 HydrophobicContact CE1-CB 4.44Å; L33-A1308 HydrophobicContact CD1-CB 4.03Å; R1282-A1308 CarbonylContact C-O 3.58Å; R1282-A1308 WeakPolarHBondContact CA-O 3.43Å; V1283-A1308 HydrophobicContact CB-CB 4.23Å; V1283-A1308 HydrophobicContact CG2-CB 4.31Å; V1283-A1308 PolarHBondContact N-O 3.32Å; V1283-A1308 PolarHBondContact O-N 3.09Å; A1308-W1310 HydrophobicContact CB-CE3 4.43Å; A1308-W1310 HydrophobicContact CB-CZ3 4.1Å |
| 1309 | A | 93.5 | Very high | 77.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R786 P960 V1281 R1282 L1306 | R786-A1309 PolarHBondContact NH1-O 3.47Å; R786-A1309 PolarHBondContact NH2-O 3.37Å; P960-A1309 HydrophobicContact CB-CB 3.9Å; P960-A1309 HydrophobicContact CG-CB 3.92Å; V1281-A1309 CarbonylContact O-C 3.59Å; V1281-A1309 VanDerWaalsContact O-CA 3.22Å; V1281-A1309 WeakPolarHBondContact O-CA 3.49Å; R1282-A1309 HydrophobicContact CG-CB 4.07Å; L1306-A1309 HydrophobicContact CD1-CB 4.39Å; L1306-A1309 HydrophobicContact CD2-CB 4.22Å |
| 1310 | W | 94.3 | Very high | 80.2 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 165.6 | 175.9 | 69.4 | 100.4 | 0 | 0 | 0 | 112.8 | F30 R786 V1281 V1283 A1308 L1336 W1348 | F30-W1310 HydrophobicContact CZ-CH2 4.12Å; F30-W1310 HydrophobicContact CZ-CZ3 4.4Å; R786-W1310 VanDerWaalsContact NH1-CB 3.3Å; V1281-W1310 HydrophobicContact CB-CD2 4.01Å; V1281-W1310 HydrophobicContact CB-CE3 4.3Å; V1281-W1310 HydrophobicContact CB-CH2 4.15Å; V1281-W1310 HydrophobicContact CB-CZ2 3.87Å; V1281-W1310 HydrophobicContact CB-CZ3 4.35Å; V1281-W1310 HydrophobicContact CG1-CD2 4.36Å; V1281-W1310 HydrophobicContact CG1-CE3 4.29Å; V1281-W1310 HydrophobicContact CG1-CH2 3.43Å; V1281-W1310 VanDerWaalsContact CG1-CH2 3.43Å; V1281-W1310 HydrophobicContact CG1-CZ2 3.52Å; V1281-W1310 HydrophobicContact CG1-CZ3 3.84Å; V1281-W1310 HydrophobicContact CG2-CZ2 4.27Å; V1281-W1310 PolarHBondContact N-O 3.13Å; V1281-W1310 PolarHBondContact O-N 3.42Å; V1283-W1310 HydrophobicContact CG2-CH2 4.4Å; V1283-W1310 HydrophobicContact CG2-CZ3 4.12Å; A1308-W1310 HydrophobicContact CB-CE3 4.43Å; A1308-W1310 HydrophobicContact CB-CZ3 4.1Å; W1310-L1336 HydrophobicContact CH2-CD2 4.47Å; W1310-L1336 HydrophobicContact CZ2-CD2 3.8Å; W1310-W1348 AromaticContact CD1-CE3 3.9Å; W1310-W1348 AromaticContact CD1-CH2 3.73Å; W1310-W1348 AromaticContact CD1-CZ3 3.66Å; W1310-W1348 AromaticContact NE1-CD2 3.56Å; W1310-W1348 AromaticContact NE1-CE2 3.87Å; W1310-W1348 AromaticContact NE1-CE3 3.49Å; W1310-W1348 AromaticContact NE1-CZ3 3.77Å |
| 1311 | I | 92.4 | Very high | 82.3 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.9 | 173.7 | -59.5 | 174.8 | 0 | 0 | 0 | 107.6 | P960 V1313 | P960-I1311 HydrophobicContact CG-CG1 4.32Å; I1311-V1313 WeakPolarHBondContact CG2-O 3.26Å |
| 1312 | A | 93.4 | Very high | 84.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -75.9 | -29.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1279 V1281 V1338 L1346 W1348 | G1279-A1312 WeakPolarHBondContact O-CB 3.28Å; G1279-A1312 PolarHBondContact O-N 3.14Å; V1281-A1312 HydrophobicContact CG2-CB 3.83Å; A1312-V1338 HydrophobicContact CB-CG1 4.21Å; A1312-V1338 HydrophobicContact CB-CG2 3.99Å; A1312-L1346 WeakPolarHBondContact O-CD1 3.14Å; A1312-W1348 HydrophobicContact CB-CZ2 4.44Å; A1312-W1348 WeakPolarHBondContact O-CZ2 3.46Å; A1312-W1348 PolarHBondContact O-NE1 3.47Å |
| 1313 | V | 90.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -135.1 | 134.9 | -179.6 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | I1311 C1317 T1325 F1342 L1346 | I1311-V1313 WeakPolarHBondContact CG2-O 3.26Å; V1313-C1317 HydrophobicContact CG2-CB 4.35Å; V1313-T1325 HydrophobicContact CG1-CG2 4.47Å; V1313-F1342 HydrophobicContact CB-CE1 4.31Å; V1313-F1342 HydrophobicContact CB-CZ 4.35Å; V1313-F1342 HydrophobicContact CG1-CE1 4.22Å; V1313-F1342 HydrophobicContact CG2-CD1 3.82Å; V1313-F1342 HydrophobicContact CG2-CD2 4.32Å; V1313-F1342 HydrophobicContact CG2-CE1 3.92Å; V1313-F1342 HydrophobicContact CG2-CE2 4.42Å; V1313-F1342 HydrophobicContact CG2-CG 4.04Å; V1313-F1342 HydrophobicContact CG2-CZ 4.22Å; V1313-L1346 HydrophobicContact CB-CD1 4.04Å; V1313-L1346 HydrophobicContact CG2-CD1 4.46Å |
| 1314 | E | 81.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | trans | -75.6 | 139 | 179.2 | -60.6 | -166.6 | 162.7 | 0 | 0 | 111 | R955 T1316 C1317 | R955-E1314 IonicContact CZ-OE1 3.44Å; R955-E1314 IonicContact NH1-OE1 2.87Å; R955-E1314 PolarHBondContact NH1-OE1 3.37Å; R955-E1314 IonicContact NH2-OE1 2.96Å; R955-E1314 PolarHBondContact NH2-OE1 2.95Å; E1314-T1316 PolarHBondContact O-N 3.16Å; E1314-C1317 PolarHBondContact O-N 2.86Å | ||
| 1315 | P | 78.7 | Confident | 88.1 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -54.3 | -26.3 | 178.2 | -27.8 | 34.8 | 0 | 0 | 0 | 114 | ||
| 1316 | T | 80.2 | Confident | 88.8 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -78 | -13.8 | -179.2 | 28 | 0 | 0 | 0 | 0 | 116.1 | S853 F854 E1314 R1318 | S853-T1316 WeakPolarHBondContact O-CG2 3.42Å; S853-T1316 PolarHBondContact O-OG1 3.07Å; F854-T1316 HydrophobicContact CB-CG2 4.36Å; E1314-T1316 PolarHBondContact O-N 3.16Å; T1316-R1318 VanDerWaalsContact C-N 3.25Å |
| 1317 | C | 84.3 | Confident | 89.2 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -83.1 | -8.6 | 177 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | V1313 E1314 F1342 | V1313-C1317 HydrophobicContact CG2-CB 4.35Å; E1314-C1317 PolarHBondContact O-N 2.86Å; C1317-F1342 HydrophobicContact CB-CB 4.21Å; C1317-F1342 VanDerWaalsContact O-CB 3.31Å; C1317-F1342 WeakPolarHBondContact O-CB 3.34Å |
| 1318 | R | 88.4 | Confident | 89.5 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | trans | -83.8 | 141.8 | -173.8 | -61.7 | -173.6 | -179.5 | -86.6 | 6.5 | 111.9 | D1277 H1278 T1316 T1325 D1341 | D1277-R1318 PolarHBondContact O-NH2 3.35Å; D1277-R1318 VanDerWaalsContact O-NH2 3.16Å; H1278-R1318 PolarHBondContact O-NH2 2.86Å; T1316-R1318 VanDerWaalsContact C-N 3.25Å; R1318-T1325 PolarHBondContact NH1-OG1 3.28Å; R1318-T1325 PolarHBondContact NH2-OG1 2.99Å; R1318-D1341 WeakPolarHBondContact CA-O 3.44Å; R1318-D1341 WeakPolarHBondContact CB-OD2 3.36Å; R1318-D1341 IonicContact CZ-OD1 3.42Å; R1318-D1341 IonicContact NH1-OD1 3.88Å; R1318-D1341 PolarHBondContact NH1-OD1 2.83Å | ||
| 1319 | F | 90.5 | Very high | 89.5 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | trans | -116.6 | -5.6 | 178.6 | 60.6 | -104.2 | 0 | 0 | 0 | 114.6 | D1341 V1367 | F1319-D1341 WeakPolarHBondContact CD1-O 3.4Å; F1319-D1341 WeakPolarHBondContact CE1-O 3.49Å; F1319-D1341 HydrophobicContact CE2-CB 4.37Å; F1319-D1341 HydrophobicContact CZ-CB 4.31Å; F1319-D1341 PolarHBondContact N-O 2.86Å; F1319-D1341 VanDerWaalsContact N-O 3.07Å; F1319-V1367 WeakPolarHBondContact CZ-O 3.31Å | ||
| 1320 | L | 87.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 48 Ų | 48 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -98 | 154.8 | 171.4 | -63.5 | 178 | 0 | 0 | 0 | 111 | H1322 V1324 D1341 Y1368 | L1320-H1322 WeakPolarHBondContact CB-O 3.4Å; L1320-V1324 HydrophobicContact CD1-CG2 4.05Å; L1320-D1341 HydrophobicContact CB-CB 4.06Å; L1320-D1341 HydrophobicContact CD1-CB 3.65Å; L1320-D1341 HydrophobicContact CG-CB 3.76Å; L1320-D1341 PolarHBondContact N-OD2 2.97Å; L1320-Y1368 HydrophobicContact CD1-CD1 3.91Å; L1320-Y1368 HydrophobicContact CD1-CE1 4.3Å; L1320-Y1368 HydrophobicContact CD1-CG 4.29Å |
| 1321 | E | 82.5 | Confident | 89.1 | Confident | 188 Ų | 188 | 49.2 Ų | 49.2 | 88% | 0.879 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -73 | -38.3 | 173.2 | -69.5 | -174.3 | 165.6 | 0 | 0 | 111.8 | ||
| 1322 | H | 85.3 | Confident | 88.5 | Confident | 155 Ų | 155 | 51.1 Ų | 51.1 | 72% | 0.718 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -98.9 | 115.2 | 172 | -64.8 | -56.1 | 0 | 0 | 0 | 108.9 | L1320 | L1320-H1322 WeakPolarHBondContact CB-O 3.4Š|
| 1323 | P | 88.6 | Confident | 88 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | trans | -68.4 | 136.7 | -172.2 | 29.8 | -36.1 | 0 | 0 | 0 | 110.4 | D1277 | D1277-P1323 HydrophobicContact CB-CG 4.45Š| ||
| 1324 | V | 91.7 | Very high | 88 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | trans | -118.6 | 119 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | L1320 G1340 D1341 Y1368 | L1320-V1324 HydrophobicContact CD1-CG2 4.05Å; V1324-G1340 CarbonylContact O-C 3.58Å; V1324-G1340 WeakPolarHBondContact O-CA 3.45Å; V1324-D1341 HydrophobicContact CB-CB 4.35Å; V1324-D1341 PolarHBondContact O-N 2.88Å; V1324-D1341 VanDerWaalsContact O-OD1 3.09Å; V1324-Y1368 HydrophobicContact CB-CD2 4.43Å; V1324-Y1368 HydrophobicContact CG1-CD2 3.97Å; V1324-Y1368 HydrophobicContact CG1-CE2 4.11Å | ||
| 1325 | T | 95.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.1 | 176.1 | -49.2 | 0 | 0 | 0 | 0 | 110.2 | D1277 V1313 R1318 Y1327 V1338 F1342 | D1277-T1325 WeakPolarHBondContact O-CB 3.41Å; D1277-T1325 PolarHBondContact O-OG1 3.27Å; V1313-T1325 HydrophobicContact CG1-CG2 4.47Å; R1318-T1325 PolarHBondContact NH1-OG1 3.28Å; R1318-T1325 PolarHBondContact NH2-OG1 2.99Å; T1325-Y1327 HydrophobicContact CG2-CD2 4.26Å; T1325-Y1327 HydrophobicContact CG2-CE1 4.11Å; T1325-Y1327 HydrophobicContact CG2-CE2 3.57Å; T1325-Y1327 VanDerWaalsContact CG2-CZ 3.48Å; T1325-V1338 HydrophobicContact CG2-CG1 3.55Å; T1325-F1342 HydrophobicContact CG2-CE1 4.4Å |
| 1326 | N | 95.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.8 | 178.2 | -71.2 | -65.9 | 0 | 0 | 0 | 109.3 | V1338 G1339 L1369 S1370 L1372 | N1326-V1338 WeakPolarHBondContact O-CA 3.43Å; N1326-G1339 PolarHBondContact N-O 3.18Å; N1326-G1339 PolarHBondContact O-N 3.13Å; N1326-L1369 PolarHBondContact ND2-O 3.12Å; N1326-S1370 VanDerWaalsContact ND2-C 3.3Å; N1326-S1370 WeakPolarHBondContact ND2-CA 3.2Å; N1326-S1370 PolarHBondContact ND2-O 3.22Å; N1326-S1370 PolarHBondContact OD1-O 3.38Å; N1326-L1372 HydrophobicContact CB-CD1 4.2Å; N1326-L1372 HydrophobicContact CB-CG 4.29Å; N1326-L1372 WeakPolarHBondContact O-CD1 3.32Å |
| 1327 | Y | 96.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.5 | -175.8 | -57.1 | -98.9 | 0 | 0 | 0 | 110.4 | A1259 Y1260 T1276 G1279 V1281 T1325 L1336 Y1337 V1338 | A1259-Y1327 HydrophobicContact CB-CE2 4.43Å; Y1260-Y1327 VanDerWaalsContact CB-CD2 3.46Å; Y1260-Y1327 VanDerWaalsContact CD1-CB 3.43Å; Y1260-Y1327 HydrophobicContact CD1-CG 4.11Å; Y1260-Y1327 VanDerWaalsContact CE2-O 3.3Å; Y1260-Y1327 WeakPolarHBondContact CE2-O 3.38Å; Y1260-Y1327 HydrophobicContact CG-CD2 4.13Å; Y1260-Y1327 HydrophobicContact CG-CG 4.13Å; T1276-Y1327 PolarHBondContact N-OH 3.23Å; T1276-Y1327 WeakPolarHBondContact O-CE2 3.44Å; T1276-Y1327 PolarHBondContact O-OH 2.84Å; G1279-Y1327 VanDerWaalsContact C-OH 3.27Å; G1279-Y1327 WeakPolarHBondContact CA-OH 3.33Å; V1281-Y1327 HydrophobicContact CG2-CD1 4.29Å; V1281-Y1327 HydrophobicContact CG2-CE1 3.65Å; T1325-Y1327 HydrophobicContact CG2-CD2 4.26Å; T1325-Y1327 HydrophobicContact CG2-CE1 4.11Å; T1325-Y1327 HydrophobicContact CG2-CE2 3.57Å; T1325-Y1327 VanDerWaalsContact CG2-CZ 3.48Å; Y1327-L1336 HydrophobicContact CD1-CD1 4.46Å; Y1327-L1336 HydrophobicContact CD1-CD2 4.48Å; Y1327-Y1337 CarbonylContact C-O 2.88Å; Y1327-Y1337 VanDerWaalsContact CA-O 3.23Å; Y1327-Y1337 WeakPolarHBondContact CA-O 3.43Å; Y1327-V1338 HydrophobicContact CD1-CB 4.39Å; Y1327-V1338 HydrophobicContact CD1-CG1 3.96Å; Y1327-V1338 HydrophobicContact CD1-CG2 3.77Å; Y1327-V1338 HydrophobicContact CE1-CG1 3.74Å; Y1327-V1338 HydrophobicContact CE1-CG2 4.05Å |
| 1328 | F | 95.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 17% | 0.167 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 125.4 | 168.4 | -172.3 | -87.6 | 0 | 0 | 0 | 110.5 | Y1337 L1372 S1374 | F1328-Y1337 HydrophobicContact CD1-CD2 4.42Å; F1328-Y1337 PolarHBondContact N-O 3.47Å; F1328-Y1337 PolarHBondContact O-N 2.84Å; F1328-L1372 HydrophobicContact CB-CB 3.92Å; F1328-L1372 WeakPolarHBondContact CD2-O 3.29Å; F1328-S1374 VanDerWaalsContact CZ-N 3.31Å |
| 1329 | W | 94.2 | Very high | 91.1 | Very high | 19 Ų | 19 | 40 Ų | 40 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.6 | 176.4 | 176 | -112 | 0 | 0 | 0 | 111.3 | F30 Y1260 V1264 L1336 A1350 | F30-W1329 HydrophobicContact CE2-CH2 4.45Å; Y1260-W1329 PolarHBondContact OH-N 3.41Å; Y1260-W1329 VanDerWaalsContact OH-N 3.14Å; V1264-W1329 HydrophobicContact CB-CZ2 4.37Å; V1264-W1329 HydrophobicContact CG1-CH2 4.33Å; V1264-W1329 HydrophobicContact CG1-CZ2 3.64Å; V1264-W1329 HydrophobicContact CG2-CD2 4.12Å; V1264-W1329 HydrophobicContact CG2-CZ2 4.07Å; W1329-L1336 HydrophobicContact CE3-CB 4.08Å; W1329-L1336 HydrophobicContact CE3-CD1 4.46Å; W1329-L1336 HydrophobicContact CZ3-CB 4.35Å; W1329-A1350 HydrophobicContact CH2-CB 3.58Å; W1329-A1350 HydrophobicContact CZ3-CB 3.84Å |
| 1330 | E | 90.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 104.9 | 172.4 | 179 | 178.7 | 143.2 | 0 | 0 | 108 | D1332 P1333 G1334 L1335 Y1337 S1374 R1396 | E1330-D1332 VanDerWaalsContact CG-O 3.3Å; E1330-D1332 WeakPolarHBondContact CG-O 3.45Å; E1330-D1332 PolarHBondContact O-N 3.44Å; E1330-P1333 WeakPolarHBondContact OE1-CD 3.34Å; E1330-G1334 CarbonylContact O-C 3.56Å; E1330-G1334 WeakPolarHBondContact O-CA 3.44Å; E1330-G1334 PolarHBondContact O-N 3.27Å; E1330-L1335 HydrophobicContact CB-CB 4.42Å; E1330-L1335 PolarHBondContact N-O 3.22Å; E1330-L1335 PolarHBondContact O-N 3.49Å; E1330-Y1337 HydrophobicContact CB-CE2 4.28Å; E1330-Y1337 VanDerWaalsContact OE2-CE2 3.27Å; E1330-Y1337 WeakPolarHBondContact OE2-CE2 3.21Å; E1330-Y1337 PolarHBondContact OE2-OH 3.24Å; E1330-S1374 VanDerWaalsContact OE2-CB 3.29Å; E1330-S1374 WeakPolarHBondContact OE2-CB 3.38Å; E1330-S1374 PolarHBondContact OE2-OG 3.19Å; E1330-R1396 IonicContact OE1-CZ 3Å; E1330-R1396 IonicContact OE1-NH1 3.68Å; E1330-R1396 PolarHBondContact OE1-NH1 3.49Å; E1330-R1396 IonicContact OE1-NH2 2.69Å; E1330-R1396 PolarHBondContact OE1-NH2 2.9Å; E1330-R1396 IonicContact OE2-NH1 2.76Å; E1330-R1396 PolarHBondContact OE2-NH1 3.46Å; E1330-R1396 VanDerWaalsContact OE2-NH1 3.11Å |
| 1331 | Q | 87 | Confident | 91.5 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 20% | 0.201 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -38.8 | -173.8 | 179.6 | 64.8 | 40.4 | 0 | 0 | 113.3 | P27 N1265 G1334 | P27-Q1331 PolarHBondContact O-NE2 2.85Å; N1265-Q1331 PolarHBondContact OD1-NE2 2.87Å; Q1331-G1334 WeakPolarHBondContact O-CA 3.46Å; Q1331-G1334 PolarHBondContact O-N 2.84Å |
| 1332 | D | 81.6 | Confident | 92 | Very high | 79 Ų | 79 | 25.2 Ų | 25.2 | 42% | 0.422 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 107.7 | 172.9 | -175.5 | 14.3 | 0 | 0 | 0 | 108.2 | P27 E1330 | P27-D1332 HydrophobicContact CG-CB 3.68Å; E1330-D1332 VanDerWaalsContact CG-O 3.3Å; E1330-D1332 WeakPolarHBondContact CG-O 3.45Å; E1330-D1332 PolarHBondContact O-N 3.44Å |
| 1333 | P | 82.9 | Confident | 92.3 | Very high | 50 Ų | 50 | 21.7 Ų | 21.7 | 33% | 0.325 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -102.4 | 24.1 | 21.2 | 38.8 | -33.6 | 0 | 0 | 0 | 115.7 | E1330 L1335 H1351 | E1330-P1333 WeakPolarHBondContact OE1-CD 3.34Å; P1333-L1335 HydrophobicContact CG-CD1 3.77Å; P1333-L1335 HydrophobicContact CG-CG 3.94Å; P1333-H1351 PolarHBondContact O-CD2 3.34Å; P1333-H1351 PolarHBondContact O-NE2 2.76Å |
| 1334 | G | 89.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 48.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1330 Q1331 A1350 | E1330-G1334 CarbonylContact O-C 3.56Å; E1330-G1334 WeakPolarHBondContact O-CA 3.44Å; E1330-G1334 PolarHBondContact O-N 3.27Å; Q1331-G1334 WeakPolarHBondContact O-CA 3.46Å; Q1331-G1334 PolarHBondContact O-N 2.84Å; G1334-A1350 VanDerWaalsContact O-CB 3.3Å; G1334-A1350 WeakPolarHBondContact O-CB 3.39Å; G1334-A1350 PolarHBondContact O-N 3.41Å |
| 1335 | L | 93.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.047 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.3 | -176.6 | -60.8 | 174.1 | 0 | 0 | 0 | 112 | E1330 P1333 Y1337 V1347 W1348 D1349 | E1330-L1335 HydrophobicContact CB-CB 4.42Å; E1330-L1335 PolarHBondContact N-O 3.22Å; E1330-L1335 PolarHBondContact O-N 3.49Å; P1333-L1335 HydrophobicContact CG-CD1 3.77Å; P1333-L1335 HydrophobicContact CG-CG 3.94Å; L1335-Y1337 HydrophobicContact CB-CE2 4.19Å; L1335-V1347 HydrophobicContact CB-CG1 4.44Å; L1335-V1347 HydrophobicContact CD1-CG1 4.29Å; L1335-V1347 HydrophobicContact CD2-CG1 4.23Å; L1335-W1348 CarbonylContact C-O 3.49Å; L1335-W1348 VanDerWaalsContact CA-O 3.31Å; L1335-W1348 WeakPolarHBondContact CA-O 3.35Å; L1335-D1349 HydrophobicContact CD2-CB 3.88Å |
| 1336 | L | 95.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.3 | 171.1 | -179.3 | 71.2 | 0 | 0 | 0 | 109.8 | L1273 V1281 W1310 Y1327 W1329 V1338 W1348 | L1273-L1336 HydrophobicContact CD1-CD1 4.46Å; L1273-L1336 HydrophobicContact CD2-CD1 4.08Å; V1281-L1336 HydrophobicContact CB-CD2 4.48Å; V1281-L1336 HydrophobicContact CG1-CD2 3.87Å; V1281-L1336 HydrophobicContact CG2-CD2 3.85Å; W1310-L1336 HydrophobicContact CH2-CD2 4.47Å; W1310-L1336 HydrophobicContact CZ2-CD2 3.8Å; Y1327-L1336 HydrophobicContact CD1-CD1 4.46Å; Y1327-L1336 HydrophobicContact CD1-CD2 4.48Å; W1329-L1336 HydrophobicContact CE3-CB 4.08Å; W1329-L1336 HydrophobicContact CE3-CD1 4.46Å; W1329-L1336 HydrophobicContact CZ3-CB 4.35Å; L1336-V1338 HydrophobicContact CD2-CG2 4.23Å; L1336-V1338 HydrophobicContact CG-CG2 4.09Å; L1336-W1348 HydrophobicContact CB-CB 4.19Å; L1336-W1348 PolarHBondContact N-O 2.98Å; L1336-W1348 PolarHBondContact O-N 2.84Å |
| 1337 | Y | 95.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.7 | 172.8 | -68.5 | -91.9 | 0 | 0 | 0 | 110.5 | Y1327 F1328 E1330 L1335 L1345 L1346 V1347 T1382 R1396 | Y1327-Y1337 CarbonylContact C-O 2.88Å; Y1327-Y1337 VanDerWaalsContact CA-O 3.23Å; Y1327-Y1337 WeakPolarHBondContact CA-O 3.43Å; F1328-Y1337 HydrophobicContact CD1-CD2 4.42Å; F1328-Y1337 PolarHBondContact N-O 3.47Å; F1328-Y1337 PolarHBondContact O-N 2.84Å; E1330-Y1337 HydrophobicContact CB-CE2 4.28Å; E1330-Y1337 VanDerWaalsContact OE2-CE2 3.27Å; E1330-Y1337 WeakPolarHBondContact OE2-CE2 3.21Å; E1330-Y1337 PolarHBondContact OE2-OH 3.24Å; L1335-Y1337 HydrophobicContact CB-CE2 4.19Å; Y1337-L1345 HydrophobicContact CD1-CD1 4.31Å; Y1337-L1345 HydrophobicContact CD1-CD2 4.16Å; Y1337-L1345 HydrophobicContact CD1-CG 4.21Å; Y1337-L1346 WeakPolarHBondContact CA-O 3.37Å; Y1337-V1347 HydrophobicContact CD1-CG2 3.91Å; Y1337-V1347 HydrophobicContact CE1-CG1 4.3Å; Y1337-V1347 HydrophobicContact CE1-CG2 3.76Å; Y1337-T1382 HydrophobicContact CD1-CG2 3.88Å; Y1337-T1382 HydrophobicContact CE1-CG2 3.76Å; Y1337-T1382 WeakPolarHBondContact CE1-OG1 3.11Å; Y1337-T1382 HydrophobicContact CG-CG2 4.33Å; Y1337-T1382 PolarHBondContact OH-OG1 3.31Å; Y1337-R1396 PolarHBondContact OH-NH1 3.46Å |
| 1338 | V | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 118.7 | 179.3 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | A1312 T1325 N1326 Y1327 L1336 F1342 L1346 | A1312-V1338 HydrophobicContact CB-CG1 4.21Å; A1312-V1338 HydrophobicContact CB-CG2 3.99Å; T1325-V1338 HydrophobicContact CG2-CG1 3.55Å; N1326-V1338 WeakPolarHBondContact O-CA 3.43Å; Y1327-V1338 HydrophobicContact CD1-CB 4.39Å; Y1327-V1338 HydrophobicContact CD1-CG1 3.96Å; Y1327-V1338 HydrophobicContact CD1-CG2 3.77Å; Y1327-V1338 HydrophobicContact CE1-CG1 3.74Å; Y1327-V1338 HydrophobicContact CE1-CG2 4.05Å; L1336-V1338 HydrophobicContact CD2-CG2 4.23Å; L1336-V1338 HydrophobicContact CG-CG2 4.09Å; V1338-F1342 HydrophobicContact CG1-CZ 4.15Å; V1338-L1346 HydrophobicContact CB-CB 4.31Å; V1338-L1346 PolarHBondContact N-O 3.37Å; V1338-L1346 PolarHBondContact O-N 2.85Å |
| 1339 | G | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 165.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1326 F1342 | N1326-G1339 PolarHBondContact N-O 3.18Å; N1326-G1339 PolarHBondContact O-N 3.13Å; G1339-F1342 VanDerWaalsContact CA-CZ 3.41Å |
| 1340 | G | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -139.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1324 F1342 L1369 | V1324-G1340 CarbonylContact O-C 3.58Å; V1324-G1340 WeakPolarHBondContact O-CA 3.45Å; G1340-F1342 PolarHBondContact O-N 3.04Å; G1340-L1369 PolarHBondContact O-N 3.32Å; G1340-L1369 VanDerWaalsContact O-N 3.08Å |
| 1341 | D | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -78.7 | 40.9 | 176.1 | 73.6 | -35 | 0 | 0 | 0 | 113.5 | R1318 F1319 L1320 V1324 | R1318-D1341 WeakPolarHBondContact CA-O 3.44Å; R1318-D1341 WeakPolarHBondContact CB-OD2 3.36Å; R1318-D1341 IonicContact CZ-OD1 3.42Å; R1318-D1341 IonicContact NH1-OD1 3.88Å; R1318-D1341 PolarHBondContact NH1-OD1 2.83Å; F1319-D1341 WeakPolarHBondContact CD1-O 3.4Å; F1319-D1341 WeakPolarHBondContact CE1-O 3.49Å; F1319-D1341 HydrophobicContact CE2-CB 4.37Å; F1319-D1341 HydrophobicContact CZ-CB 4.31Å; F1319-D1341 PolarHBondContact N-O 2.86Å; F1319-D1341 VanDerWaalsContact N-O 3.07Å; L1320-D1341 HydrophobicContact CB-CB 4.06Å; L1320-D1341 HydrophobicContact CD1-CB 3.65Å; L1320-D1341 HydrophobicContact CG-CB 3.76Å; L1320-D1341 PolarHBondContact N-OD2 2.97Å; V1324-D1341 HydrophobicContact CB-CB 4.35Å; V1324-D1341 PolarHBondContact O-N 2.88Å; V1324-D1341 VanDerWaalsContact O-OD1 3.09Å |
| 1342 | F | 92.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -144.2 | 165.3 | 177.7 | 49.1 | -86.6 | 0 | 0 | 0 | 110.3 | V1313 C1317 T1325 V1338 G1339 G1340 H1344 L1346 | V1313-F1342 HydrophobicContact CB-CE1 4.31Å; V1313-F1342 HydrophobicContact CB-CZ 4.35Å; V1313-F1342 HydrophobicContact CG1-CE1 4.22Å; V1313-F1342 HydrophobicContact CG2-CD1 3.82Å; V1313-F1342 HydrophobicContact CG2-CD2 4.32Å; V1313-F1342 HydrophobicContact CG2-CE1 3.92Å; V1313-F1342 HydrophobicContact CG2-CE2 4.42Å; V1313-F1342 HydrophobicContact CG2-CG 4.04Å; V1313-F1342 HydrophobicContact CG2-CZ 4.22Å; C1317-F1342 HydrophobicContact CB-CB 4.21Å; C1317-F1342 VanDerWaalsContact O-CB 3.31Å; C1317-F1342 WeakPolarHBondContact O-CB 3.34Å; T1325-F1342 HydrophobicContact CG2-CE1 4.4Å; V1338-F1342 HydrophobicContact CG1-CZ 4.15Å; G1339-F1342 VanDerWaalsContact CA-CZ 3.41Å; G1340-F1342 PolarHBondContact O-N 3.04Å; F1342-H1344 VanDerWaalsContact C-N 3.35Å; F1342-H1344 WeakPolarHBondContact CD2-O 3.32Å; F1342-H1344 WeakPolarHBondContact CE2-O 3.33Å; F1342-H1344 PolarHBondContact O-N 3.38Å; F1342-L1346 HydrophobicContact CE2-CD1 4.08Å; F1342-L1346 HydrophobicContact CE2-CG 3.97Å |
| 1343 | R | 90.7 | Very high | 93.1 | Very high | 82 Ų | 82 | 21.6 Ų | 21.6 | 31% | 0.309 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -82.4 | -7.3 | -163.7 | -63 | -64.9 | 175.6 | -147.9 | -19.9 | 116.1 | V1361 A1364 S1365 | R1343-V1361 WeakPolarHBondContact O-CB 3.29Å; R1343-V1361 WeakPolarHBondContact O-CG2 3.39Å; R1343-V1361 PolarHBondContact O-N 3.11Å; R1343-A1364 PolarHBondContact NH1-O 3.4Å; R1343-S1365 PolarHBondContact NH2-O 3.45Å |
| 1344 | H | 92 | Very high | 93.6 | Very high | 73 Ų | 73 | 20.7 Ų | 20.7 | 34% | 0.338 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.7 | -171.7 | -57.6 | 91.6 | 0 | 0 | 0 | 109.5 | F1342 L1346 E1358 L1359 | F1342-H1344 VanDerWaalsContact C-N 3.35Å; F1342-H1344 WeakPolarHBondContact CD2-O 3.32Å; F1342-H1344 WeakPolarHBondContact CE2-O 3.33Å; F1342-H1344 PolarHBondContact O-N 3.38Å; H1344-L1346 HydrophobicContact CB-CD2 3.97Å; H1344-E1358 HydrophobicContact CB-CB 4.28Å; H1344-L1359 CarbonylContact C-O 3.31Å; H1344-L1359 VanDerWaalsContact CA-O 3.29Å; H1344-L1359 WeakPolarHBondContact CA-O 3.29Å |
| 1345 | L | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 113 | 161.9 | 173.4 | 64.4 | 0 | 0 | 0 | 106.7 | Y1337 L1359 V1361 L1369 L1372 T1382 F1394 | Y1337-L1345 HydrophobicContact CD1-CD1 4.31Å; Y1337-L1345 HydrophobicContact CD1-CD2 4.16Å; Y1337-L1345 HydrophobicContact CD1-CG 4.21Å; L1345-L1359 HydrophobicContact CB-CB 4.19Å; L1345-L1359 HydrophobicContact CD2-CD1 4.25Å; L1345-L1359 PolarHBondContact N-O 3.04Å; L1345-L1359 PolarHBondContact O-N 3.48Å; L1345-V1361 HydrophobicContact CB-CG2 4.31Å; L1345-L1369 HydrophobicContact CB-CD1 4.36Å; L1345-L1369 HydrophobicContact CD1-CD1 4.41Å; L1345-L1372 HydrophobicContact CD1-CD1 3.91Å; L1345-L1372 HydrophobicContact CD1-CD2 3.71Å; L1345-T1382 HydrophobicContact CD2-CG2 4.11Å; L1345-F1394 HydrophobicContact CD2-CD2 4.03Å; L1345-F1394 HydrophobicContact CD2-CE2 4.11Å; L1345-F1394 HydrophobicContact CD2-CG 4.49Å |
| 1346 | L | 95.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.1 | -177.8 | -49.7 | 177.5 | 0 | 0 | 0 | 109.4 | A1312 V1313 Y1337 V1338 F1342 H1344 K1355 E1358 | A1312-L1346 WeakPolarHBondContact O-CD1 3.14Å; V1313-L1346 HydrophobicContact CB-CD1 4.04Å; V1313-L1346 HydrophobicContact CG2-CD1 4.46Å; Y1337-L1346 WeakPolarHBondContact CA-O 3.37Å; V1338-L1346 HydrophobicContact CB-CB 4.31Å; V1338-L1346 PolarHBondContact N-O 3.37Å; V1338-L1346 PolarHBondContact O-N 2.85Å; F1342-L1346 HydrophobicContact CE2-CD1 4.08Å; F1342-L1346 HydrophobicContact CE2-CG 3.97Å; H1344-L1346 HydrophobicContact CB-CD2 3.97Å; L1346-K1355 HydrophobicContact CD2-CD 4.23Å; L1346-E1358 HydrophobicContact CD2-CB 4.36Å; L1346-E1358 HydrophobicContact CD2-CG 3.79Å |
| 1347 | V | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.8 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | L1335 Y1337 K1355 V1356 A1357 L1359 | L1335-V1347 HydrophobicContact CB-CG1 4.44Å; L1335-V1347 HydrophobicContact CD1-CG1 4.29Å; L1335-V1347 HydrophobicContact CD2-CG1 4.23Å; Y1337-V1347 HydrophobicContact CD1-CG2 3.91Å; Y1337-V1347 HydrophobicContact CE1-CG1 4.3Å; Y1337-V1347 HydrophobicContact CE1-CG2 3.76Å; V1347-K1355 CarbonylContact O-C 3.59Å; V1347-K1355 WeakPolarHBondContact O-CA 3.49Å; V1347-V1356 HydrophobicContact CB-CG2 4.07Å; V1347-V1356 HydrophobicContact CG1-CG2 3.79Å; V1347-V1356 WeakPolarHBondContact O-CG2 3.46Å; V1347-V1356 PolarHBondContact O-N 3.34Å; V1347-A1357 HydrophobicContact CB-CB 4.06Å; V1347-A1357 HydrophobicContact CG2-CB 4.1Å; V1347-A1357 PolarHBondContact N-O 3.03Å; V1347-A1357 PolarHBondContact O-N 2.93Å; V1347-L1359 HydrophobicContact CG2-CD1 3.99Å; V1347-L1359 HydrophobicContact CG2-CG 4.16Å |
| 1348 | W | 95.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 33 Ų | 33 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.4 | 176.3 | -71.1 | 82.7 | 0 | 0 | 0 | 110 | W1310 A1312 L1335 L1336 R1354 K1355 | W1310-W1348 AromaticContact CD1-CE3 3.9Å; W1310-W1348 AromaticContact CD1-CH2 3.73Å; W1310-W1348 AromaticContact CD1-CZ3 3.66Å; W1310-W1348 AromaticContact NE1-CD2 3.56Å; W1310-W1348 AromaticContact NE1-CE2 3.87Å; W1310-W1348 AromaticContact NE1-CE3 3.49Å; W1310-W1348 AromaticContact NE1-CZ3 3.77Å; A1312-W1348 HydrophobicContact CB-CZ2 4.44Å; A1312-W1348 WeakPolarHBondContact O-CZ2 3.46Å; A1312-W1348 PolarHBondContact O-NE1 3.47Å; L1335-W1348 CarbonylContact C-O 3.49Å; L1335-W1348 VanDerWaalsContact CA-O 3.31Å; L1335-W1348 WeakPolarHBondContact CA-O 3.35Å; L1336-W1348 HydrophobicContact CB-CB 4.19Å; L1336-W1348 PolarHBondContact N-O 2.98Å; L1336-W1348 PolarHBondContact O-N 2.84Å; W1348-R1354 CarbonylContact C-O 3.56Å; W1348-R1354 WeakPolarHBondContact CA-O 3.33Å; W1348-K1355 HydrophobicContact CD2-CB 3.93Å; W1348-K1355 HydrophobicContact CE3-CB 4.08Å; W1348-K1355 HydrophobicContact CH2-CB 3.99Å; W1348-K1355 HydrophobicContact CZ2-CB 3.84Å; W1348-K1355 HydrophobicContact CZ2-CD 4.39Å; W1348-K1355 HydrophobicContact CZ2-CG 4.46Å; W1348-K1355 HydrophobicContact CZ3-CB 4.11Å |
| 1349 | D | 93.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120 | 174.8 | -179.4 | -30.2 | 0 | 0 | 0 | 108.9 | L1335 H1351 Q1352 E1353 R1354 V1356 | L1335-D1349 HydrophobicContact CD2-CB 3.88Å; D1349-H1351 WeakPolarHBondContact OD1-CA 3.48Å; D1349-H1351 WeakPolarHBondContact OD1-CB 3.28Å; D1349-H1351 IonicContact OD1-CD2 3.02Å; D1349-H1351 PolarHBondContact OD1-N 2.86Å; D1349-Q1352 HydrophobicContact CB-CB 4.14Å; D1349-Q1352 HydrophobicContact CB-CG 4.43Å; D1349-Q1352 PolarHBondContact OD1-N 2.88Å; D1349-Q1352 WeakPolarHBondContact OD2-CG 3.38Å; D1349-Q1352 PolarHBondContact OD2-NE2 3.44Å; D1349-E1353 VanDerWaalsContact O-CA 3.32Å; D1349-E1353 WeakPolarHBondContact O-CA 3.38Å; D1349-E1353 PolarHBondContact O-N 3.05Å; D1349-R1354 PolarHBondContact N-O 3.34Å; D1349-R1354 PolarHBondContact O-N 2.83Å; D1349-R1354 VanDerWaalsContact O-N 3.13Å; D1349-V1356 HydrophobicContact CB-CB 4.5Å; D1349-V1356 HydrophobicContact CB-CG1 3.52Å; D1349-V1356 HydrophobicContact CB-CG2 4.15Å |
| 1350 | A | 92.6 | Very high | 93 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -31.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F30 W1329 G1334 E1353 | F30-A1350 HydrophobicContact CD2-CB 4.47Å; F30-A1350 HydrophobicContact CE1-CB 4.02Å; F30-A1350 HydrophobicContact CE2-CB 3.64Å; F30-A1350 HydrophobicContact CZ-CB 3.38Å; W1329-A1350 HydrophobicContact CH2-CB 3.58Å; W1329-A1350 HydrophobicContact CZ3-CB 3.84Å; G1334-A1350 VanDerWaalsContact O-CB 3.3Å; G1334-A1350 WeakPolarHBondContact O-CB 3.39Å; G1334-A1350 PolarHBondContact O-N 3.41Å; A1350-E1353 PolarHBondContact O-N 2.98Å |
| 1351 | H | 89.3 | Confident | 92.8 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -34.1 | 178.6 | -59.1 | -76.2 | 0 | 0 | 0 | 111.4 | V28 S29 P1333 D1349 | V28-H1351 PolarHBondContact O-CE1 2.84Å; S29-H1351 PolarHBondContact OG-NE2 3.2Å; P1333-H1351 PolarHBondContact O-CD2 3.34Å; P1333-H1351 PolarHBondContact O-NE2 2.76Å; D1349-H1351 WeakPolarHBondContact OD1-CA 3.48Å; D1349-H1351 WeakPolarHBondContact OD1-CB 3.28Å; D1349-H1351 IonicContact OD1-CD2 3.02Å; D1349-H1351 PolarHBondContact OD1-N 2.86Å |
| 1352 | Q | 91.5 | Very high | 92.5 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -11.3 | 175 | -61 | -177 | 50 | 0 | 0 | 113.4 | P735 R740 D1349 R1354 | P735-Q1352 HydrophobicContact CB-CG 4.02Å; P735-Q1352 VanDerWaalsContact O-CA 3.24Å; P735-Q1352 WeakPolarHBondContact O-CA 3.45Å; P735-Q1352 WeakPolarHBondContact O-CB 3.49Å; R740-Q1352 PolarHBondContact NH1-O 3.46Å; R740-Q1352 PolarHBondContact NH2-O 2.9Å; D1349-Q1352 HydrophobicContact CB-CB 4.14Å; D1349-Q1352 HydrophobicContact CB-CG 4.43Å; D1349-Q1352 PolarHBondContact OD1-N 2.88Å; D1349-Q1352 WeakPolarHBondContact OD2-CG 3.38Å; D1349-Q1352 PolarHBondContact OD2-NE2 3.44Å; Q1352-R1354 HydrophobicContact CB-CB 4.32Å; Q1352-R1354 WeakPolarHBondContact O-CG 3.49Å; Q1352-R1354 PolarHBondContact O-N 3.4Å |
| 1353 | E | 93.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.2 | -171.2 | -60.9 | 175.9 | -100.8 | 0 | 0 | 111.8 | S737 R740 G781 S782 D1349 A1350 | S737-E1353 WeakPolarHBondContact CB-OE1 3.49Å; S737-E1353 PolarHBondContact OG-OE1 3.17Å; R740-E1353 PolarHBondContact NH2-O 3.21Å; G781-E1353 WeakPolarHBondContact CA-O 3.42Å; G781-E1353 PolarHBondContact N-O 2.94Å; G781-E1353 VanDerWaalsContact N-O 3.09Å; S782-E1353 VanDerWaalsContact CA-OE2 3.32Å; S782-E1353 WeakPolarHBondContact CA-OE2 3.47Å; S782-E1353 WeakPolarHBondContact CB-OE2 3.34Å; S782-E1353 PolarHBondContact OG-OE1 3.08Å; S782-E1353 PolarHBondContact OG-OE2 3.29Å; D1349-E1353 VanDerWaalsContact O-CA 3.32Å; D1349-E1353 WeakPolarHBondContact O-CA 3.38Å; D1349-E1353 PolarHBondContact O-N 3.05Å; A1350-E1353 PolarHBondContact O-N 2.98Å |
| 1354 | R | 93.4 | Very high | 91.8 | Very high | 31 Ų | 31 | 38 Ų | 38 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.8 | -171.9 | -81.3 | -170.1 | 163.6 | -174.1 | -5.9 | 114.7 | L732 S733 R740 D780 W1348 D1349 Q1352 V1356 | L732-R1354 VanDerWaalsContact O-CZ 3.26Å; L732-R1354 PolarHBondContact O-NH1 3.15Å; L732-R1354 PolarHBondContact O-NH2 3.26Å; S733-R1354 PolarHBondContact O-NH1 3.45Å; R740-R1354 VanDerWaalsContact CG-NH2 3.31Å; R740-R1354 VanDerWaalsContact CZ-CD 3.45Å; D780-R1354 IonicContact OD2-CZ 2.71Å; D780-R1354 IonicContact OD2-NE 3.39Å; D780-R1354 PolarHBondContact OD2-NE 2.99Å; D780-R1354 IonicContact OD2-NH2 2.91Å; D780-R1354 PolarHBondContact OD2-NH2 2.61Å; W1348-R1354 CarbonylContact C-O 3.56Å; W1348-R1354 WeakPolarHBondContact CA-O 3.33Å; D1349-R1354 PolarHBondContact N-O 3.34Å; D1349-R1354 PolarHBondContact O-N 2.83Å; D1349-R1354 VanDerWaalsContact O-N 3.13Å; Q1352-R1354 HydrophobicContact CB-CB 4.32Å; Q1352-R1354 WeakPolarHBondContact O-CG 3.49Å; Q1352-R1354 PolarHBondContact O-N 3.4Å; R1354-V1356 PolarHBondContact O-N 2.89Å |
| 1355 | K | 93.6 | Very high | 91.3 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.8 | 166 | -174.4 | 177.1 | 61.4 | -179.4 | 0 | 109.4 | L1346 V1347 W1348 E1358 | L1346-K1355 HydrophobicContact CD2-CD 4.23Å; V1347-K1355 CarbonylContact O-C 3.59Å; V1347-K1355 WeakPolarHBondContact O-CA 3.49Å; W1348-K1355 HydrophobicContact CD2-CB 3.93Å; W1348-K1355 HydrophobicContact CE3-CB 4.08Å; W1348-K1355 HydrophobicContact CH2-CB 3.99Å; W1348-K1355 HydrophobicContact CZ2-CB 3.84Å; W1348-K1355 HydrophobicContact CZ2-CD 4.39Å; W1348-K1355 HydrophobicContact CZ2-CG 4.46Å; W1348-K1355 HydrophobicContact CZ3-CB 4.11Å; K1355-E1358 HydrophobicContact CD-CG 4.08Å; K1355-E1358 VanDerWaalsContact CE-OE1 3.27Å; K1355-E1358 WeakPolarHBondContact CE-OE1 3.33Å; K1355-E1358 IonicContact NZ-OE1 2.71Å; K1355-E1358 PolarHBondContact NZ-OE1 2.66Å |
| 1356 | V | 91.3 | Very high | 91 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -26 | -176.3 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | V1347 D1349 R1354 | V1347-V1356 HydrophobicContact CB-CG2 4.07Å; V1347-V1356 HydrophobicContact CG1-CG2 3.79Å; V1347-V1356 WeakPolarHBondContact O-CG2 3.46Å; V1347-V1356 PolarHBondContact O-N 3.34Å; D1349-V1356 HydrophobicContact CB-CB 4.5Å; D1349-V1356 HydrophobicContact CB-CG1 3.52Å; D1349-V1356 HydrophobicContact CB-CG2 4.15Å; R1354-V1356 PolarHBondContact O-N 2.89Å |
| 1357 | A | 91.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 21% | 0.207 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 153.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1347 L1359 | V1347-A1357 HydrophobicContact CB-CB 4.06Å; V1347-A1357 HydrophobicContact CG2-CB 4.1Å; V1347-A1357 PolarHBondContact N-O 3.03Å; V1347-A1357 PolarHBondContact O-N 2.93Å; A1357-L1359 HydrophobicContact CB-CD2 4.03Å |
| 1358 | E | 91.8 | Very high | 90.9 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 111.1 | 167.1 | -60.5 | -170.5 | 165.7 | 0 | 0 | 108.3 | H1344 L1346 K1355 | H1344-E1358 HydrophobicContact CB-CB 4.28Å; L1346-E1358 HydrophobicContact CD2-CB 4.36Å; L1346-E1358 HydrophobicContact CD2-CG 3.79Å; K1355-E1358 HydrophobicContact CD-CG 4.08Å; K1355-E1358 VanDerWaalsContact CE-OE1 3.27Å; K1355-E1358 WeakPolarHBondContact CE-OE1 3.33Å; K1355-E1358 IonicContact NZ-OE1 2.71Å; K1355-E1358 PolarHBondContact NZ-OE1 2.66Å |
| 1359 | L | 93.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.7 | -175.9 | -49.5 | -178.7 | 0 | 0 | 0 | 109 | H1344 L1345 V1347 A1357 V1361 F1394 C1403 | H1344-L1359 CarbonylContact C-O 3.31Å; H1344-L1359 VanDerWaalsContact CA-O 3.29Å; H1344-L1359 WeakPolarHBondContact CA-O 3.29Å; L1345-L1359 HydrophobicContact CB-CB 4.19Å; L1345-L1359 HydrophobicContact CD2-CD1 4.25Å; L1345-L1359 PolarHBondContact N-O 3.04Å; L1345-L1359 PolarHBondContact O-N 3.48Å; V1347-L1359 HydrophobicContact CG2-CD1 3.99Å; V1347-L1359 HydrophobicContact CG2-CG 4.16Å; A1357-L1359 HydrophobicContact CB-CD2 4.03Å; L1359-V1361 PolarHBondContact O-N 3.06Å; L1359-F1394 HydrophobicContact CB-CD1 4.28Å; L1359-F1394 HydrophobicContact CB-CE1 4.41Å; L1359-F1394 HydrophobicContact CD1-CB 4.4Å; L1359-F1394 HydrophobicContact CD1-CD1 4.45Å; L1359-C1403 HydrophobicContact CD2-CB 4.3Å |
| 1360 | P | 92.7 | Very high | 90.9 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 119.3 | -178.8 | 27 | -31.6 | 0 | 0 | 0 | 109.9 | G1362 S1400 | P1360-G1362 VanDerWaalsContact C-N 3.3Å; P1360-G1362 PolarHBondContact O-N 2.93Å; P1360-S1400 WeakPolarHBondContact CD-O 3.43Å; P1360-S1400 VanDerWaalsContact CG-O 3.32Å; P1360-S1400 WeakPolarHBondContact CG-O 3.37Å |
| 1361 | V | 91.9 | Very high | 91 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | trans | -67.7 | -39.8 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | R1343 L1345 L1359 A1363 L1369 R1392 R1404 | R1343-V1361 WeakPolarHBondContact O-CB 3.29Å; R1343-V1361 WeakPolarHBondContact O-CG2 3.39Å; R1343-V1361 PolarHBondContact O-N 3.11Å; L1345-V1361 HydrophobicContact CB-CG2 4.31Å; L1359-V1361 PolarHBondContact O-N 3.06Å; V1361-A1363 HydrophobicContact CG1-CB 4.29Å; V1361-L1369 HydrophobicContact CG1-CD1 4.35Å; V1361-L1369 HydrophobicContact CG1-CD2 3.66Å; V1361-L1369 HydrophobicContact CG1-CG 4.08Å; V1361-L1369 HydrophobicContact CG2-CD1 3.75Å; V1361-L1369 HydrophobicContact CG2-CG 4.24Å; V1361-R1392 VanDerWaalsContact CG1-NH1 3.28Å; V1361-R1392 PolarHBondContact O-NH1 3.34Å; V1361-R1404 WeakPolarHBondContact O-CD 3.36Å; V1361-R1404 PolarHBondContact O-NH1 2.85Å | ||
| 1362 | G | 87.3 | Confident | 91.4 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | trans | 69.5 | 50.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1360 R1392 R1404 | P1360-G1362 VanDerWaalsContact C-N 3.3Å; P1360-G1362 PolarHBondContact O-N 2.93Å; G1362-R1392 PolarHBondContact O-NH1 3.5Å; G1362-R1404 VanDerWaalsContact CA-NH1 3.27Å; G1362-R1404 PolarHBondContact O-NH1 2.78Å | ||
| 1363 | A | 84.6 | Confident | 91.4 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | trans | -107.5 | 164.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1361 V1367 | V1361-A1363 HydrophobicContact CG1-CB 4.29Å; A1363-V1367 HydrophobicContact CB-CB 3.82Å; A1363-V1367 HydrophobicContact CB-CG1 3.94Å | ||
| 1364 | A | 84.5 | Confident | 91.2 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | trans | -64.4 | 163.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1343 D1366 V1367 | R1343-A1364 PolarHBondContact NH1-O 3.4Å; A1364-D1366 PolarHBondContact O-N 3.07Å; A1364-V1367 HydrophobicContact CB-CG2 4.05Å; A1364-V1367 PolarHBondContact O-N 3.28Å | ||
| 1365 | S | 81.4 | Confident | 90.6 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -167.3 | 50.5 | 0 | 0 | 0 | 0 | 115.6 | R1343 | R1343-S1365 PolarHBondContact NH2-O 3.45Š|
| 1366 | D | 87.9 | Confident | 89.4 | Confident | 113 Ų | 113 | 37.9 Ų | 37.9 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -7.6 | -177 | 56.2 | -27.7 | 0 | 0 | 0 | 113.3 | A1364 | A1364-D1366 PolarHBondContact O-N 3.07Š|
| 1367 | V | 92.2 | Very high | 88.1 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | trans | -86.6 | 124.4 | -178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | F1319 A1363 A1364 C1386 D1388 | F1319-V1367 WeakPolarHBondContact CZ-O 3.31Å; A1363-V1367 HydrophobicContact CB-CB 3.82Å; A1363-V1367 HydrophobicContact CB-CG1 3.94Å; A1364-V1367 HydrophobicContact CB-CG2 4.05Å; A1364-V1367 PolarHBondContact O-N 3.28Å; V1367-C1386 HydrophobicContact CG1-CB 3.84Å; V1367-D1388 HydrophobicContact CG1-CB 4.25Å; V1367-D1388 HydrophobicContact CG2-CB 3.92Å | ||
| 1368 | Y | 94.5 | Very high | 86.6 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | trans | -115.1 | 157.1 | 176.7 | 62.3 | -91.6 | 0 | 0 | 0 | 110.8 | L1320 V1324 C1386 S1387 | L1320-Y1368 HydrophobicContact CD1-CD1 3.91Å; L1320-Y1368 HydrophobicContact CD1-CE1 4.3Å; L1320-Y1368 HydrophobicContact CD1-CG 4.29Å; V1324-Y1368 HydrophobicContact CB-CD2 4.43Å; V1324-Y1368 HydrophobicContact CG1-CD2 3.97Å; V1324-Y1368 HydrophobicContact CG1-CE2 4.11Å; Y1368-C1386 WeakPolarHBondContact O-CA 3.35Å; Y1368-S1387 WeakPolarHBondContact CD1-OG 3.26Å; Y1368-S1387 VanDerWaalsContact CZ-CB 3.48Å; Y1368-S1387 PolarHBondContact N-OG 2.58Å; Y1368-S1387 PolarHBondContact O-N 3.29Å | ||
| 1369 | L | 95.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 124 | 173 | -64.9 | -177.2 | 0 | 0 | 0 | 109.6 | N1326 G1340 L1345 V1361 L1372 A1384 G1385 C1386 | N1326-L1369 PolarHBondContact ND2-O 3.12Å; G1340-L1369 PolarHBondContact O-N 3.32Å; G1340-L1369 VanDerWaalsContact O-N 3.08Å; L1345-L1369 HydrophobicContact CB-CD1 4.36Å; L1345-L1369 HydrophobicContact CD1-CD1 4.41Å; V1361-L1369 HydrophobicContact CG1-CD1 4.35Å; V1361-L1369 HydrophobicContact CG1-CD2 3.66Å; V1361-L1369 HydrophobicContact CG1-CG 4.08Å; V1361-L1369 HydrophobicContact CG2-CD1 3.75Å; V1361-L1369 HydrophobicContact CG2-CG 4.24Å; L1369-L1372 HydrophobicContact CD1-CD2 4.21Å; L1369-A1384 HydrophobicContact CD1-CB 4.17Å; L1369-A1384 HydrophobicContact CD2-CB 3.77Å; L1369-G1385 WeakPolarHBondContact CA-O 3.34Å; L1369-C1386 VanDerWaalsContact CD2-SG 3.54Å |
| 1370 | S | 94.4 | Very high | 84.7 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -22.4 | -175 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | N1326 G1385 V1415 | N1326-S1370 VanDerWaalsContact ND2-C 3.3Å; N1326-S1370 WeakPolarHBondContact ND2-CA 3.2Å; N1326-S1370 PolarHBondContact ND2-O 3.22Å; N1326-S1370 PolarHBondContact OD1-O 3.38Å; S1370-G1385 PolarHBondContact N-O 2.77Å; S1370-G1385 PolarHBondContact OG-O 3.43Å; S1370-V1415 VanDerWaalsContact CB-O 3.23Å; S1370-V1415 WeakPolarHBondContact CB-O 3.49Å; S1370-V1415 PolarHBondContact OG-O 2.78Å |
| 1371 | C | 95 | Very high | 84.5 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 159 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | A1384 G1385 V1418 | C1371-A1384 WeakPolarHBondContact O-CA 3.05Å; C1371-G1385 PolarHBondContact N-O 2.92Å; C1371-G1385 PolarHBondContact O-N 2.96Å; C1371-V1418 HydrophobicContact CB-CG1 4.33Å |
| 1372 | L | 95.8 | Very high | 84.5 | Confident | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148 | -176.6 | -63.9 | 174.4 | 0 | 0 | 0 | 110.8 | N1326 F1328 L1345 L1369 A1383 A1384 | N1326-L1372 HydrophobicContact CB-CD1 4.2Å; N1326-L1372 HydrophobicContact CB-CG 4.29Å; N1326-L1372 WeakPolarHBondContact O-CD1 3.32Å; F1328-L1372 HydrophobicContact CB-CB 3.92Å; F1328-L1372 WeakPolarHBondContact CD2-O 3.29Å; L1345-L1372 HydrophobicContact CD1-CD1 3.91Å; L1345-L1372 HydrophobicContact CD1-CD2 3.71Å; L1369-L1372 HydrophobicContact CD1-CD2 4.21Å; L1372-A1383 WeakPolarHBondContact CA-O 3.42Å; L1372-A1384 HydrophobicContact CD2-CB 3.61Å |
| 1373 | S | 93.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 142.2 | 168.5 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | T1382 A1383 V1418 L1420 | S1373-T1382 CarbonylContact O-C 3.55Å; S1373-T1382 WeakPolarHBondContact O-CG2 3.21Å; S1373-A1383 PolarHBondContact N-O 2.95Å; S1373-A1383 PolarHBondContact O-N 3.16Å; S1373-V1418 WeakPolarHBondContact CB-O 3.31Å; S1373-L1420 PolarHBondContact OG-N 3.01Å |
| 1374 | S | 89.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.6 | 170.5 | -152.6 | 0 | 0 | 0 | 0 | 110.2 | F1328 E1330 L1381 T1382 | F1328-S1374 VanDerWaalsContact CZ-N 3.31Å; E1330-S1374 VanDerWaalsContact OE2-CB 3.29Å; E1330-S1374 WeakPolarHBondContact OE2-CB 3.38Å; E1330-S1374 PolarHBondContact OE2-OG 3.19Å; S1374-L1381 PolarHBondContact OG-O 3.41Å; S1374-T1382 PolarHBondContact OG-OG1 3.16Å; S1374-T1382 VanDerWaalsContact OG-OG1 3.1Å |
| 1375 | D | 79.5 | Confident | 85.9 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | trans | -74.1 | 132.1 | 171.2 | 176.9 | 23.6 | 0 | 0 | 0 | 109.9 | I1377 Q1379 L1381 L1420 G1422 | D1375-I1377 PolarHBondContact OD1-N 3.11Å; D1375-Q1379 WeakPolarHBondContact OD2-CA 3.48Å; D1375-Q1379 WeakPolarHBondContact OD2-CB 3.27Å; D1375-Q1379 VanDerWaalsContact OD2-CG 3.22Å; D1375-Q1379 WeakPolarHBondContact OD2-CG 3.45Å; D1375-Q1379 PolarHBondContact OD2-N 3.44Å; D1375-L1381 PolarHBondContact N-O 3.05Å; D1375-L1420 HydrophobicContact CB-CD2 3.83Å; D1375-L1420 HydrophobicContact CB-CG 4.24Å; D1375-G1422 VanDerWaalsContact OD1-CA 3.26Å; D1375-G1422 WeakPolarHBondContact OD1-CA 3.29Å | ||
| 1376 | T | 67.7 | Low | 86.5 | Confident | 83 Ų | 83 | 28.2 Ų | 28.2 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -92 | -7.4 | 180 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1377 | I | 64.6 | Low | 86.9 | Confident | 64 Ų | 64 | 23.9 Ų | 23.9 | 33% | 0.328 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -113.1 | 23.9 | -171.8 | -65.3 | 147.4 | 0 | 0 | 0 | 112 | C15 D1375 G1422 | C15-I1377 HydrophobicContact CB-CD1 3.6Å; C15-I1377 HydrophobicContact CB-CG1 3.68Å; C15-I1377 WeakPolarHBondContact SG-CD1 3.17Å; D1375-I1377 PolarHBondContact OD1-N 3.11Å; I1377-G1422 WeakPolarHBondContact CD1-O 3.4Å |
| 1378 | G | 59.6 | Low | 87 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 47% | 0.474 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 85.4 | 20.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | H1380 | G1378-H1380 PolarHBondContact O-N 3.01Š|
| 1379 | Q | 64.5 | Low | 86.9 | Confident | 67 Ų | 67 | 23.2 Ų | 23.2 | 31% | 0.313 | 14% | 0.137 | S | C | . | . | trans | -80 | -1.1 | 167.6 | -57.7 | -174 | 5.9 | 0 | 0 | 113.3 | D1375 L1381 S1427 | D1375-Q1379 WeakPolarHBondContact OD2-CA 3.48Å; D1375-Q1379 WeakPolarHBondContact OD2-CB 3.27Å; D1375-Q1379 VanDerWaalsContact OD2-CG 3.22Å; D1375-Q1379 WeakPolarHBondContact OD2-CG 3.45Å; D1375-Q1379 PolarHBondContact OD2-N 3.44Å; Q1379-L1381 HydrophobicContact CB-CD1 4.16Å; Q1379-L1381 HydrophobicContact CB-CG 4.04Å; Q1379-L1381 WeakPolarHBondContact O-CG 3.27Å; Q1379-L1381 PolarHBondContact O-N 2.9Å; Q1379-L1381 VanDerWaalsContact O-N 3.08Å; Q1379-S1427 VanDerWaalsContact CD-OG 3.29Å; Q1379-S1427 PolarHBondContact NE2-OG 3.29Å; Q1379-S1427 PolarHBondContact OE1-OG 3.23Å | ||
| 1380 | H | 81 | Confident | 86.8 | Confident | 66 Ų | 66 | 23.3 Ų | 23.3 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | trans | 54.5 | 25.1 | -179.5 | -55.9 | -63.8 | 0 | 0 | 0 | 113.7 | G1378 R1396 R1397 | G1378-H1380 PolarHBondContact O-N 3.01Å; H1380-R1396 HydrophobicContact CB-CB 4.28Å; H1380-R1396 PolarHBondContact ND1-NH2 3.07Å; H1380-R1396 PolarHBondContact O-N 2.7Å; H1380-R1397 HydrophobicContact CB-CG 4.06Å | ||
| 1381 | L | 89.1 | Confident | 86.8 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.7 | -178.6 | -67.3 | -177.7 | 0 | 0 | 0 | 110.5 | S1374 D1375 Q1379 L1393 F1394 D1395 I1405 L1420 P1443 | S1374-L1381 PolarHBondContact OG-O 3.41Å; D1375-L1381 PolarHBondContact N-O 3.05Å; Q1379-L1381 HydrophobicContact CB-CD1 4.16Å; Q1379-L1381 HydrophobicContact CB-CG 4.04Å; Q1379-L1381 WeakPolarHBondContact O-CG 3.27Å; Q1379-L1381 PolarHBondContact O-N 2.9Å; Q1379-L1381 VanDerWaalsContact O-N 3.08Å; L1381-L1393 HydrophobicContact CB-CD2 4.17Å; L1381-L1393 HydrophobicContact CD1-CD2 4Å; L1381-L1393 HydrophobicContact CD2-CD2 3.99Å; L1381-L1393 HydrophobicContact CG-CD2 4.27Å; L1381-F1394 CarbonylContact C-O 3.32Å; L1381-F1394 VanDerWaalsContact CA-O 3.3Å; L1381-F1394 WeakPolarHBondContact CA-O 3.33Å; L1381-D1395 HydrophobicContact CD2-CB 4.06Å; L1381-I1405 HydrophobicContact CD2-CD1 3.71Å; L1381-L1420 HydrophobicContact CB-CD2 3.66Å; L1381-L1420 WeakPolarHBondContact O-CD2 3.23Å; L1381-P1443 HydrophobicContact CD1-CB 4.41Å |
| 1382 | T | 92.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.4 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 109.4 | Y1337 L1345 S1373 S1374 L1393 F1394 | Y1337-T1382 HydrophobicContact CD1-CG2 3.88Å; Y1337-T1382 HydrophobicContact CE1-CG2 3.76Å; Y1337-T1382 WeakPolarHBondContact CE1-OG1 3.11Å; Y1337-T1382 HydrophobicContact CG-CG2 4.33Å; Y1337-T1382 PolarHBondContact OH-OG1 3.31Å; L1345-T1382 HydrophobicContact CD2-CG2 4.11Å; S1373-T1382 CarbonylContact O-C 3.55Å; S1373-T1382 WeakPolarHBondContact O-CG2 3.21Å; S1374-T1382 PolarHBondContact OG-OG1 3.16Å; S1374-T1382 VanDerWaalsContact OG-OG1 3.1Å; T1382-L1393 CarbonylContact O-C 3.57Å; T1382-L1393 WeakPolarHBondContact O-CA 3.46Å; T1382-F1394 PolarHBondContact N-O 3.46Å; T1382-F1394 PolarHBondContact O-N 2.92Å |
| 1383 | A | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1372 S1373 R1392 V1418 L1429 | L1372-A1383 WeakPolarHBondContact CA-O 3.42Å; S1373-A1383 PolarHBondContact N-O 2.95Å; S1373-A1383 PolarHBondContact O-N 3.16Å; A1383-R1392 CarbonylContact C-O 3.59Å; A1383-R1392 VanDerWaalsContact CA-O 3.3Å; A1383-R1392 WeakPolarHBondContact CA-O 3.21Å; A1383-V1418 HydrophobicContact CB-CG2 3.87Å; A1383-L1429 HydrophobicContact CB-CD1 3.53Å |
| 1384 | A | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1369 C1371 L1372 V1391 R1392 F1394 | L1369-A1384 HydrophobicContact CD1-CB 4.17Å; L1369-A1384 HydrophobicContact CD2-CB 3.77Å; C1371-A1384 WeakPolarHBondContact O-CA 3.05Å; L1372-A1384 HydrophobicContact CD2-CB 3.61Å; A1384-V1391 WeakPolarHBondContact O-CA 3.42Å; A1384-R1392 PolarHBondContact N-O 3.39Å; A1384-R1392 PolarHBondContact O-N 2.85Å; A1384-F1394 HydrophobicContact CB-CE2 3.96Å |
| 1385 | G | 95.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 144.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1369 S1370 C1371 | L1369-G1385 WeakPolarHBondContact CA-O 3.34Å; S1370-G1385 PolarHBondContact N-O 2.77Å; S1370-G1385 PolarHBondContact OG-O 3.43Å; C1371-G1385 PolarHBondContact N-O 2.92Å; C1371-G1385 PolarHBondContact O-N 2.96Å |
| 1386 | C | 96 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 158.5 | -176 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | V1367 Y1368 L1369 D1388 G1389 S1390 R1392 V1415 | V1367-C1386 HydrophobicContact CG1-CB 3.84Å; Y1368-C1386 WeakPolarHBondContact O-CA 3.35Å; L1369-C1386 VanDerWaalsContact CD2-SG 3.54Å; C1386-D1388 WeakPolarHBondContact CB-OD1 3.44Å; C1386-D1388 PolarHBondContact O-N 3.33Å; C1386-G1389 PolarHBondContact O-N 3.4Å; C1386-G1389 VanDerWaalsContact O-N 3.15Å; C1386-S1390 VanDerWaalsContact CB-O 3.29Å; C1386-S1390 WeakPolarHBondContact CB-O 3.36Å; C1386-S1390 WeakPolarHBondContact CB-OG 3.41Å; C1386-S1390 PolarHBondContact N-O 3.13Å; C1386-R1392 PolarHBondContact SG-NE 2.92Å; C1386-V1415 PolarHBondContact O-N 3.42Å |
| 1387 | S | 94.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | Y1368 P1414 | Y1368-S1387 WeakPolarHBondContact CD1-OG 3.26Å; Y1368-S1387 VanDerWaalsContact CZ-CB 3.48Å; Y1368-S1387 PolarHBondContact N-OG 2.58Å; Y1368-S1387 PolarHBondContact O-N 3.29Å; S1387-P1414 WeakPolarHBondContact O-CG 3.3Å |
| 1388 | D | 94 | Very high | 88.9 | Confident | 68 Ų | 68 | 29.1 Ų | 29.1 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.4 | 175.7 | 66.5 | -9.6 | 0 | 0 | 0 | 113.8 | V1367 C1386 S1390 | V1367-D1388 HydrophobicContact CG1-CB 4.25Å; V1367-D1388 HydrophobicContact CG2-CB 3.92Å; C1386-D1388 WeakPolarHBondContact CB-OD1 3.44Å; C1386-D1388 PolarHBondContact O-N 3.33Å; D1388-S1390 VanDerWaalsContact C-N 3.34Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.28Å; D1388-S1390 PolarHBondContact OD1-N 2.78Å; D1388-S1390 PolarHBondContact OD1-OG 3.11Å; D1388-S1390 PolarHBondContact OD2-OG 3.37Å |
| 1389 | G | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 89.3 | -8.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1386 L1411 A1413 V1415 | C1386-G1389 PolarHBondContact O-N 3.4Å; C1386-G1389 VanDerWaalsContact O-N 3.15Å; G1389-L1411 WeakPolarHBondContact O-CB 3.33Å; G1389-A1413 WeakPolarHBondContact CA-O 3.09Å; G1389-V1415 WeakPolarHBondContact O-CG2 3.32Å |
| 1390 | S | 94.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | trans | -72.1 | 146.1 | 177.2 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | C1386 D1388 L1408 | C1386-S1390 VanDerWaalsContact CB-O 3.29Å; C1386-S1390 WeakPolarHBondContact CB-O 3.36Å; C1386-S1390 WeakPolarHBondContact CB-OG 3.41Å; C1386-S1390 PolarHBondContact N-O 3.13Å; D1388-S1390 VanDerWaalsContact C-N 3.34Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.28Å; D1388-S1390 PolarHBondContact OD1-N 2.78Å; D1388-S1390 PolarHBondContact OD1-OG 3.11Å; D1388-S1390 PolarHBondContact OD2-OG 3.37Å; S1390-L1408 CarbonylContact C-O 3.56Å; S1390-L1408 VanDerWaalsContact CA-O 3.24Å; S1390-L1408 WeakPolarHBondContact CA-O 3.42Å | ||
| 1391 | V | 94.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.5 | 171 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | A1384 T1407 L1408 L1411 V1415 V1418 L1429 A1431 W1441 | A1384-V1391 WeakPolarHBondContact O-CA 3.42Å; V1391-T1407 CarbonylContact O-C 3.52Å; V1391-T1407 WeakPolarHBondContact O-CA 3.21Å; V1391-L1408 HydrophobicContact CB-CB 4.27Å; V1391-L1408 PolarHBondContact N-O 2.91Å; V1391-L1408 PolarHBondContact O-N 3.38Å; V1391-L1411 HydrophobicContact CG2-CD1 4.41Å; V1391-V1415 HydrophobicContact CG2-CG1 4.5Å; V1391-V1415 HydrophobicContact CG2-CG2 4.05Å; V1391-V1418 HydrophobicContact CG1-CG2 4.1Å; V1391-L1429 HydrophobicContact CG1-CD2 4.01Å; V1391-A1431 HydrophobicContact CG2-CB 3.96Å; V1391-W1441 HydrophobicContact CG2-CH2 4.06Å; V1391-W1441 HydrophobicContact CG2-CZ3 4.35Å |
| 1392 | R | 93.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135 | -175.6 | -62.1 | 176.7 | -166.6 | -155.6 | 2.9 | 110 | V1361 G1362 A1383 A1384 C1386 F1394 M1406 T1407 | V1361-R1392 VanDerWaalsContact CG1-NH1 3.28Å; V1361-R1392 PolarHBondContact O-NH1 3.34Å; G1362-R1392 PolarHBondContact O-NH1 3.5Å; A1383-R1392 CarbonylContact C-O 3.59Å; A1383-R1392 VanDerWaalsContact CA-O 3.3Å; A1383-R1392 WeakPolarHBondContact CA-O 3.21Å; A1384-R1392 PolarHBondContact N-O 3.39Å; A1384-R1392 PolarHBondContact O-N 2.85Å; C1386-R1392 PolarHBondContact SG-NE 2.92Å; R1392-F1394 HydrophobicContact CB-CE2 3.74Å; R1392-F1394 HydrophobicContact CB-CZ 4.04Å; R1392-M1406 WeakPolarHBondContact CA-O 3.38Å; R1392-T1407 HydrophobicContact CG-CG2 4.38Å |
| 1393 | L | 92.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.7 | -179.6 | -124 | 128.9 | 0 | 0 | 0 | 109.4 | L1381 T1382 R1404 I1405 M1406 L1429 | L1381-L1393 HydrophobicContact CB-CD2 4.17Å; L1381-L1393 HydrophobicContact CD1-CD2 4Å; L1381-L1393 HydrophobicContact CD2-CD2 3.99Å; L1381-L1393 HydrophobicContact CG-CD2 4.27Å; T1382-L1393 CarbonylContact O-C 3.57Å; T1382-L1393 WeakPolarHBondContact O-CA 3.46Å; L1393-R1404 CarbonylContact O-C 3.36Å; L1393-R1404 WeakPolarHBondContact O-CA 3.4Å; L1393-I1405 HydrophobicContact CB-CD1 4.45Å; L1393-I1405 HydrophobicContact CB-CG1 4.07Å; L1393-I1405 HydrophobicContact CD2-CD1 3.94Å; L1393-I1405 HydrophobicContact CD2-CG1 4.46Å; L1393-I1405 WeakPolarHBondContact O-CG1 3.19Å; L1393-I1405 PolarHBondContact O-N 3.3Å; L1393-M1406 HydrophobicContact CB-CB 3.93Å; L1393-M1406 PolarHBondContact N-O 2.87Å; L1393-M1406 PolarHBondContact O-N 2.69Å; L1393-L1429 HydrophobicContact CD1-CD1 4.37Å; L1393-L1429 HydrophobicContact CD1-CD2 3.5Å; L1393-L1429 VanDerWaalsContact CD1-CD2 3.5Å; L1393-L1429 HydrophobicContact CD1-CG 4.45Å |
| 1394 | F | 92.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.1 | -177.1 | -58 | -92.6 | 0 | 0 | 0 | 110 | L1345 L1359 L1381 T1382 A1384 R1392 C1403 R1404 | L1345-F1394 HydrophobicContact CD2-CD2 4.03Å; L1345-F1394 HydrophobicContact CD2-CE2 4.11Å; L1345-F1394 HydrophobicContact CD2-CG 4.49Å; L1359-F1394 HydrophobicContact CB-CD1 4.28Å; L1359-F1394 HydrophobicContact CB-CE1 4.41Å; L1359-F1394 HydrophobicContact CD1-CB 4.4Å; L1359-F1394 HydrophobicContact CD1-CD1 4.45Å; L1381-F1394 CarbonylContact C-O 3.32Å; L1381-F1394 VanDerWaalsContact CA-O 3.3Å; L1381-F1394 WeakPolarHBondContact CA-O 3.33Å; T1382-F1394 PolarHBondContact N-O 3.46Å; T1382-F1394 PolarHBondContact O-N 2.92Å; A1384-F1394 HydrophobicContact CB-CE2 3.96Å; R1392-F1394 HydrophobicContact CB-CE2 3.74Å; R1392-F1394 HydrophobicContact CB-CZ 4.04Å; F1394-C1403 CarbonylContact C-O 3.47Å; F1394-C1403 WeakPolarHBondContact CA-O 3.43Å; F1394-R1404 HydrophobicContact CD1-CB 3.84Å; F1394-R1404 HydrophobicContact CD1-CG 4.26Å; F1394-R1404 HydrophobicContact CE1-CB 3.75Å; F1394-R1404 HydrophobicContact CE1-CG 3.95Å; F1394-R1404 HydrophobicContact CZ-CG 4.39Å |
| 1395 | D | 90.3 | Very high | 91 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117 | 169.3 | -171.7 | -28.1 | 0 | 0 | 0 | 109.2 | L1381 R1397 L1398 C1403 I1405 | L1381-D1395 HydrophobicContact CD2-CB 4.06Å; D1395-R1397 PolarHBondContact O-N 2.97Å; D1395-R1397 VanDerWaalsContact OD1-CB 3.28Å; D1395-R1397 WeakPolarHBondContact OD1-CB 3.37Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.34Å; D1395-R1397 IonicContact OD1-CZ 3.59Å; D1395-R1397 PolarHBondContact OD1-N 3.15Å; D1395-R1397 IonicContact OD1-NE 3.02Å; D1395-R1397 PolarHBondContact OD1-NE 3.12Å; D1395-R1397 IonicContact OD1-NH2 3.05Å; D1395-R1397 IonicContact OD2-CZ 3.68Å; D1395-R1397 IonicContact OD2-NE 2.74Å; D1395-R1397 PolarHBondContact OD2-NE 2.93Å; D1395-R1397 IonicContact OD2-NH2 2.68Å; D1395-R1397 PolarHBondContact OD2-NH2 2.88Å; D1395-L1398 HydrophobicContact CB-CD1 4.2Å; D1395-L1398 HydrophobicContact CB-CG 4.33Å; D1395-L1398 PolarHBondContact O-N 3.21Å; D1395-C1403 PolarHBondContact N-O 2.96Å; D1395-C1403 WeakPolarHBondContact O-CB 3.38Å; D1395-I1405 HydrophobicContact CB-CD1 4.34Å; D1395-I1405 HydrophobicContact CB-CG2 3.85Å |
| 1396 | R | 85.6 | Confident | 90.6 | Very high | 64 Ų | 64 | 49 Ų | 49 | 24% | 0.242 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.5 | -176.4 | -174.6 | 168.7 | 68.6 | -137 | 8.2 | 113.3 | E1330 Y1337 H1380 L1398 | E1330-R1396 IonicContact OE1-CZ 3Å; E1330-R1396 IonicContact OE1-NH1 3.68Å; E1330-R1396 PolarHBondContact OE1-NH1 3.49Å; E1330-R1396 IonicContact OE1-NH2 2.69Å; E1330-R1396 PolarHBondContact OE1-NH2 2.9Å; E1330-R1396 IonicContact OE2-NH1 2.76Å; E1330-R1396 PolarHBondContact OE2-NH1 3.46Å; E1330-R1396 VanDerWaalsContact OE2-NH1 3.11Å; Y1337-R1396 PolarHBondContact OH-NH1 3.46Å; H1380-R1396 HydrophobicContact CB-CB 4.28Å; H1380-R1396 PolarHBondContact ND1-NH2 3.07Å; H1380-R1396 PolarHBondContact O-N 2.7Å; R1396-L1398 VanDerWaalsContact C-N 3.31Å |
| 1397 | R | 85.7 | Confident | 90.4 | Very high | 158 Ų | 158 | 51.3 Ų | 51.3 | 60% | 0.596 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -20.8 | 179.8 | -61.8 | 172.4 | -73.7 | -169 | 2.2 | 112.8 | H1380 D1395 | H1380-R1397 HydrophobicContact CB-CG 4.06Å; D1395-R1397 PolarHBondContact O-N 2.97Å; D1395-R1397 VanDerWaalsContact OD1-CB 3.28Å; D1395-R1397 WeakPolarHBondContact OD1-CB 3.37Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.34Å; D1395-R1397 IonicContact OD1-CZ 3.59Å; D1395-R1397 PolarHBondContact OD1-N 3.15Å; D1395-R1397 IonicContact OD1-NE 3.02Å; D1395-R1397 PolarHBondContact OD1-NE 3.12Å; D1395-R1397 IonicContact OD1-NH2 3.05Å; D1395-R1397 IonicContact OD2-CZ 3.68Å; D1395-R1397 IonicContact OD2-NE 2.74Å; D1395-R1397 PolarHBondContact OD2-NE 2.93Å; D1395-R1397 IonicContact OD2-NH2 2.68Å; D1395-R1397 PolarHBondContact OD2-NH2 2.88Å |
| 1398 | L | 90 | Very high | 90.3 | Very high | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -86.2 | 153.2 | 179.2 | -63.5 | 178 | 0 | 0 | 0 | 110.8 | D1395 R1396 I1405 | D1395-L1398 HydrophobicContact CB-CD1 4.2Å; D1395-L1398 HydrophobicContact CB-CG 4.33Å; D1395-L1398 PolarHBondContact O-N 3.21Å; R1396-L1398 VanDerWaalsContact C-N 3.31Å; L1398-I1405 HydrophobicContact CD1-CG2 3.57Å |
| 1399 | P | 87.7 | Confident | 90.2 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | trans | -54.8 | 148.4 | 173.7 | -22.9 | 32.9 | 0 | 0 | 0 | 111.7 | V1401 E1402 C1403 | P1399-V1401 PolarHBondContact O-N 3.2Å; P1399-E1402 CarbonylContact O-C 3.59Å; P1399-E1402 PolarHBondContact O-N 2.77Å; P1399-C1403 PolarHBondContact O-N 2.79Å | ||
| 1400 | S | 85 | Confident | 90.2 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -30.6 | -174.5 | -51.3 | 0 | 0 | 0 | 0 | 114.2 | P1360 E1402 C1403 | P1360-S1400 WeakPolarHBondContact CD-O 3.43Å; P1360-S1400 VanDerWaalsContact CG-O 3.32Å; P1360-S1400 WeakPolarHBondContact CG-O 3.37Å; S1400-E1402 VanDerWaalsContact C-N 3.35Å; S1400-C1403 PolarHBondContact O-SG 2.95Å |
| 1401 | V | 85.2 | Confident | 90.1 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 80% | 0.8 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.5 | 179.8 | -170 | 0 | 0 | 0 | 0 | 112.6 | P1399 | P1399-V1401 PolarHBondContact O-N 3.2Š|
| 1402 | E | 88.6 | Confident | 89.9 | Confident | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -6.1 | -175 | -64.2 | -179.9 | 176.6 | 0 | 0 | 113 | P1399 S1400 R1404 | P1399-E1402 CarbonylContact O-C 3.59Å; P1399-E1402 PolarHBondContact O-N 2.77Å; S1400-E1402 VanDerWaalsContact C-N 3.35Å; E1402-R1404 PolarHBondContact O-N 2.82Å |
| 1403 | C | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -57 | -26.5 | -175.5 | 68.3 | 0 | 0 | 0 | 0 | 114 | L1359 F1394 D1395 P1399 S1400 I1405 | L1359-C1403 HydrophobicContact CD2-CB 4.3Å; F1394-C1403 CarbonylContact C-O 3.47Å; F1394-C1403 WeakPolarHBondContact CA-O 3.43Å; D1395-C1403 PolarHBondContact N-O 2.96Å; D1395-C1403 WeakPolarHBondContact O-CB 3.38Å; P1399-C1403 PolarHBondContact O-N 2.79Å; S1400-C1403 PolarHBondContact O-SG 2.95Å; C1403-I1405 PolarHBondContact O-N 2.83Å; C1403-I1405 VanDerWaalsContact O-N 3.09Å | ||
| 1404 | R | 91.3 | Very high | 90 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 96.8 | 176.4 | -173 | -177.5 | 63.2 | 173.2 | 1.8 | 110.3 | V1361 G1362 L1393 F1394 E1402 | V1361-R1404 WeakPolarHBondContact O-CD 3.36Å; V1361-R1404 PolarHBondContact O-NH1 2.85Å; G1362-R1404 VanDerWaalsContact CA-NH1 3.27Å; G1362-R1404 PolarHBondContact O-NH1 2.78Å; L1393-R1404 CarbonylContact O-C 3.36Å; L1393-R1404 WeakPolarHBondContact O-CA 3.4Å; F1394-R1404 HydrophobicContact CD1-CB 3.84Å; F1394-R1404 HydrophobicContact CD1-CG 4.26Å; F1394-R1404 HydrophobicContact CE1-CB 3.75Å; F1394-R1404 HydrophobicContact CE1-CG 3.95Å; F1394-R1404 HydrophobicContact CZ-CG 4.39Å; E1402-R1404 PolarHBondContact O-N 2.82Å |
| 1405 | I | 90 | Very high | 90.1 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -26.4 | -176.3 | 57.7 | 167.6 | 0 | 0 | 0 | 113.7 | L1381 L1393 D1395 L1398 C1403 | L1381-I1405 HydrophobicContact CD2-CD1 3.71Å; L1393-I1405 HydrophobicContact CB-CD1 4.45Å; L1393-I1405 HydrophobicContact CB-CG1 4.07Å; L1393-I1405 HydrophobicContact CD2-CD1 3.94Å; L1393-I1405 HydrophobicContact CD2-CG1 4.46Å; L1393-I1405 WeakPolarHBondContact O-CG1 3.19Å; L1393-I1405 PolarHBondContact O-N 3.3Å; D1395-I1405 HydrophobicContact CB-CD1 4.34Å; D1395-I1405 HydrophobicContact CB-CG2 3.85Å; L1398-I1405 HydrophobicContact CD1-CG2 3.57Å; C1403-I1405 PolarHBondContact O-N 2.83Å; C1403-I1405 VanDerWaalsContact O-N 3.09Å |
| 1406 | M | 88.7 | Confident | 90.2 | Very high | 43 Ų | 43 | 71.9 Ų | 71.9 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.9 | -174.1 | -157.2 | 175.4 | -70.7 | 0 | 0 | 113.3 | R1392 L1393 L1408 F1446 | R1392-M1406 WeakPolarHBondContact CA-O 3.38Å; L1393-M1406 HydrophobicContact CB-CB 3.93Å; L1393-M1406 PolarHBondContact N-O 2.87Å; L1393-M1406 PolarHBondContact O-N 2.69Å; M1406-L1408 HydrophobicContact CG-CD2 4.09Å; M1406-L1408 HydrophobicContact CG-CG 4.22Å; M1406-L1408 HydrophobicContact SD-CD1 4.39Å; M1406-L1408 HydrophobicContact SD-CD2 3.59Å; M1406-L1408 VanDerWaalsContact SD-CD2 3.59Å; M1406-L1408 HydrophobicContact SD-CG 4.02Å; M1406-F1446 HydrophobicContact CE-CB 3.95Å |
| 1407 | T | 91.9 | Very high | 90.6 | Very high | 49 Ų | 49 | 72 Ų | 72 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 102.7 | 170.8 | -59.7 | 0 | 0 | 0 | 0 | 109.1 | V1391 R1392 R1409 | V1391-T1407 CarbonylContact O-C 3.52Å; V1391-T1407 WeakPolarHBondContact O-CA 3.21Å; R1392-T1407 HydrophobicContact CG-CG2 4.38Å; T1407-R1409 HydrophobicContact CG2-CG 4.33Å |
| 1408 | L | 92.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 139.1 | 179.5 | -59.1 | 167.4 | 0 | 0 | 0 | 109.4 | S1390 V1391 M1406 L1429 W1441 | S1390-L1408 CarbonylContact C-O 3.56Å; S1390-L1408 VanDerWaalsContact CA-O 3.24Å; S1390-L1408 WeakPolarHBondContact CA-O 3.42Å; V1391-L1408 HydrophobicContact CB-CB 4.27Å; V1391-L1408 PolarHBondContact N-O 2.91Å; V1391-L1408 PolarHBondContact O-N 3.38Å; M1406-L1408 HydrophobicContact CG-CD2 4.09Å; M1406-L1408 HydrophobicContact CG-CG 4.22Å; M1406-L1408 HydrophobicContact SD-CD1 4.39Å; M1406-L1408 HydrophobicContact SD-CD2 3.59Å; M1406-L1408 VanDerWaalsContact SD-CD2 3.59Å; M1406-L1408 HydrophobicContact SD-CG 4.02Å; L1408-L1429 HydrophobicContact CD1-CD2 3.46Å; L1408-L1429 VanDerWaalsContact CD1-CD2 3.46Å; L1408-W1441 HydrophobicContact CB-CZ2 4.13Å; L1408-W1441 HydrophobicContact CD1-CB 4.5Å; L1408-W1441 HydrophobicContact CD1-CD2 3.77Å; L1408-W1441 HydrophobicContact CD1-CE3 4.22Å; L1408-W1441 HydrophobicContact CD1-CG 3.91Å; L1408-W1441 HydrophobicContact CD1-CZ2 4.33Å |
| 1409 | R | 92.2 | Very high | 91.2 | Very high | 190 Ų | 190 | 62.6 Ų | 62.6 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | trans | -133.7 | 19.5 | -171.5 | -62.7 | -174.2 | 179.6 | -137.8 | -0.1 | 113.8 | T1407 L1411 | T1407-R1409 HydrophobicContact CG2-CG 4.33Å; R1409-L1411 PolarHBondContact O-N 2.81Å | ||
| 1410 | D | 92.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 59 Ų | 59 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | trans | -73.8 | -10.1 | -176.7 | -51.5 | -68 | 0 | 0 | 0 | 113.6 | W1441 | D1410-W1441 HydrophobicContact CB-CZ2 4.12Å; D1410-W1441 PolarHBondContact OD2-NE1 3.4Å | ||
| 1411 | L | 93.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -104.6 | 137.7 | -179.4 | -65.7 | 175.8 | 0 | 0 | 0 | 110.5 | G1389 V1391 R1409 V1415 A1431 T1433 Q1437 C1439 W1441 L1452 | G1389-L1411 WeakPolarHBondContact O-CB 3.33Å; V1391-L1411 HydrophobicContact CG2-CD1 4.41Å; R1409-L1411 PolarHBondContact O-N 2.81Å; L1411-V1415 HydrophobicContact CD1-CG2 4.18Å; L1411-A1431 HydrophobicContact CD1-CB 3.86Å; L1411-T1433 HydrophobicContact CB-CG2 3.76Å; L1411-T1433 HydrophobicContact CD1-CG2 3.7Å; L1411-T1433 HydrophobicContact CD2-CG2 3.66Å; L1411-T1433 HydrophobicContact CG-CG2 3.9Å; L1411-Q1437 HydrophobicContact CD2-CB 3.78Å; L1411-C1439 HydrophobicContact CD1-CB 4.32Å; L1411-C1439 HydrophobicContact CD2-CB 3.73Å; L1411-C1439 HydrophobicContact CG-CB 4.13Å; L1411-W1441 HydrophobicContact CD1-CH2 3.79Å; L1411-W1441 HydrophobicContact CG-CH2 4.11Å; L1411-L1452 HydrophobicContact CD2-CD1 4.09Å | ||
| 1412 | E | 89.7 | Confident | 90.1 | Very high | 170 Ų | 170 | 51.1 Ų | 51.1 | 79% | 0.794 | 25% | 0.247 | S | C | * | . | trans | -106.9 | 1.3 | -172.9 | -61.8 | -174.5 | 169.3 | 0 | 0 | 114.1 | ||||
| 1413 | A | 92.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -132.7 | 158 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1389 V1415 T1433 R1435 | G1389-A1413 WeakPolarHBondContact CA-O 3.09Å; A1413-V1415 PolarHBondContact O-N 2.86Å; A1413-T1433 HydrophobicContact CB-CG2 4.39Å; A1413-T1433 WeakPolarHBondContact O-CG2 3.23Å; A1413-R1435 HydrophobicContact CB-CB 3.96Å; A1413-R1435 HydrophobicContact CB-CG 3.84Å |
| 1414 | P | 93.9 | Very high | 87.2 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | trans | -48.7 | 127 | -179.8 | -26.1 | 30.3 | 0 | 0 | 0 | 112.3 | S1387 C1416 T1433 S1434 | S1387-P1414 WeakPolarHBondContact O-CG 3.3Å; P1414-C1416 PolarHBondContact O-N 2.86Å; P1414-T1433 WeakPolarHBondContact O-CA 3.39Å; P1414-S1434 PolarHBondContact O-N 3.36Å | ||
| 1415 | V | 95.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118 | 178 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | S1370 C1386 G1389 V1391 L1411 A1413 K1417 A1431 G1432 | S1370-V1415 VanDerWaalsContact CB-O 3.23Å; S1370-V1415 WeakPolarHBondContact CB-O 3.49Å; S1370-V1415 PolarHBondContact OG-O 2.78Å; C1386-V1415 PolarHBondContact O-N 3.42Å; G1389-V1415 WeakPolarHBondContact O-CG2 3.32Å; V1391-V1415 HydrophobicContact CG2-CG1 4.5Å; V1391-V1415 HydrophobicContact CG2-CG2 4.05Å; L1411-V1415 HydrophobicContact CD1-CG2 4.18Å; A1413-V1415 PolarHBondContact O-N 2.86Å; V1415-K1417 WeakPolarHBondContact CG1-O 3.38Å; V1415-A1431 HydrophobicContact CG1-CB 3.96Å; V1415-G1432 CarbonylContact C-O 3.53Å |
| 1416 | C | 92.3 | Very high | 84.4 | Confident | 49 Ų | 49 | 47 Ų | 47 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -24.4 | -178 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | P1414 G1432 I1463 | P1414-C1416 PolarHBondContact O-N 2.86Å; C1416-G1432 PolarHBondContact N-O 2.88Å; C1416-G1432 VanDerWaalsContact SG-C 3.55Å; C1416-G1432 PolarHBondContact SG-O 2.84Å; C1416-I1463 HydrophobicContact CB-CG2 4.3Å; C1416-I1463 WeakPolarHBondContact SG-CG2 3.39Å |
| 1417 | K | 94.6 | Very high | 83.9 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 143 | 172.8 | -172.4 | 79.2 | 170 | -155.7 | 0 | 110.3 | V1415 A1431 G1432 I1463 D1464 I1465 | V1415-K1417 WeakPolarHBondContact CG1-O 3.38Å; K1417-A1431 CarbonylContact O-C 3.51Å; K1417-A1431 VanDerWaalsContact O-CA 3.29Å; K1417-A1431 WeakPolarHBondContact O-CA 3.31Å; K1417-G1432 PolarHBondContact N-O 3.14Å; K1417-G1432 PolarHBondContact O-N 2.94Å; K1417-I1463 HydrophobicContact CB-CG2 3.5Å; K1417-I1463 HydrophobicContact CG-CG2 4.47Å; K1417-D1464 WeakPolarHBondContact CE-OD1 3.36Å; K1417-D1464 IonicContact NZ-OD1 2.9Å; K1417-D1464 PolarHBondContact NZ-OD1 3.37Å; K1417-I1465 HydrophobicContact CG-CD1 4.13Å; K1417-I1465 HydrophobicContact CG-CG1 4.43Å |
| 1418 | V | 94.6 | Very high | 83.6 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.4 | 169.3 | 66.9 | 0 | 0 | 0 | 0 | 107.8 | C1371 S1373 A1383 V1391 L1429 V1430 A1431 | C1371-V1418 HydrophobicContact CB-CG1 4.33Å; S1373-V1418 WeakPolarHBondContact CB-O 3.31Å; A1383-V1418 HydrophobicContact CB-CG2 3.87Å; V1391-V1418 HydrophobicContact CG1-CG2 4.1Å; V1418-L1429 HydrophobicContact CG2-CD1 3.61Å; V1418-V1430 CarbonylContact C-O 3.55Å; V1418-V1430 WeakPolarHBondContact CA-O 3.25Å; V1418-A1431 HydrophobicContact CG2-CB 4.37Å |
| 1419 | H | 92.4 | Very high | 83.5 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 124.6 | 176.4 | -176.9 | 61.8 | 0 | 0 | 0 | 109.2 | V1430 I1465 P1467 | H1419-V1430 PolarHBondContact N-O 3.17Å; H1419-V1430 PolarHBondContact O-N 3.42Å; H1419-I1465 HydrophobicContact CB-CB 3.93Å; H1419-I1465 HydrophobicContact CB-CD1 3.64Å; H1419-I1465 HydrophobicContact CB-CG1 4.38Å; H1419-I1465 HydrophobicContact CB-CG2 3.8Å; H1419-P1467 PolarHBondContact NE2-O 3.24Å |
| 1420 | L | 89.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 105.6 | 175.4 | -175.7 | 63 | 0 | 0 | 0 | 108.4 | S1373 D1375 L1381 L1429 P1443 | S1373-L1420 PolarHBondContact OG-N 3.01Å; D1375-L1420 HydrophobicContact CB-CD2 3.83Å; D1375-L1420 HydrophobicContact CB-CG 4.24Å; L1381-L1420 HydrophobicContact CB-CD2 3.66Å; L1381-L1420 WeakPolarHBondContact O-CD2 3.23Å; L1420-L1429 HydrophobicContact CB-CD1 4.38Å; L1420-L1429 HydrophobicContact CD1-CB 4.18Å; L1420-L1429 HydrophobicContact CD1-CD1 4.05Å; L1420-P1443 HydrophobicContact CD1-CG 3.94Å |
| 1421 | E | 80.8 | Confident | 83.6 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.8 | 176.4 | -173.4 | -173.9 | 179.3 | 0 | 0 | 108.9 | S1427 R1428 | E1421-S1427 CarbonylContact O-C 3.58Å; E1421-S1427 WeakPolarHBondContact O-CA 3.49Å; E1421-S1427 WeakPolarHBondContact O-CB 3.42Å; E1421-R1428 HydrophobicContact CB-CB 4.36Å; E1421-R1428 PolarHBondContact N-O 2.91Å; E1421-R1428 PolarHBondContact O-N 2.91Å; E1421-R1428 IonicContact OE1-CZ 3.13Å; E1421-R1428 IonicContact OE1-NE 2.71Å; E1421-R1428 IonicContact OE1-NH2 2.88Å; E1421-R1428 PolarHBondContact OE1-NH2 3.25Å; E1421-R1428 IonicContact OE2-CZ 3.71Å; E1421-R1428 IonicContact OE2-NE 2.79Å; E1421-R1428 PolarHBondContact OE2-NE 3.41Å; E1421-R1428 IonicContact OE2-NH2 3.76Å; E1421-R1428 PolarHBondContact OE2-NH2 3.08Å |
| 1422 | G | 65.7 | Low | 83.7 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | trans | -81.8 | 125.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | D1375 I1377 | D1375-G1422 VanDerWaalsContact OD1-CA 3.26Å; D1375-G1422 WeakPolarHBondContact OD1-CA 3.29Å; I1377-G1422 WeakPolarHBondContact CD1-O 3.4Å | ||
| 1423 | A | 61.8 | Low | 83.9 | Confident | 11 Ų | 11 | 25 Ų | 25 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | -142.8 | 144.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1425 G1426 | A1423-S1425 PolarHBondContact O-N 3.14Å; A1423-S1425 VanDerWaalsContact O-N 3.15Å; A1423-G1426 PolarHBondContact O-N 2.99Å | ||
| 1424 | P | 55.7 | Low | 83.9 | Confident | 102 Ų | 102 | 26.6 Ų | 26.6 | 66% | 0.662 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.7 | 175.7 | -20.8 | 30.6 | 0 | 0 | 0 | 112.2 | ||
| 1425 | S | 57.9 | Low | 83.7 | Confident | 92 Ų | 92 | 31.8 Ų | 31.8 | 64% | 0.643 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.9 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | A1423 | A1423-S1425 PolarHBondContact O-N 3.14Å; A1423-S1425 VanDerWaalsContact O-N 3.15Å |
| 1426 | G | 65.3 | Low | 83.3 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | 144.3 | 126.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1423 | A1423-G1426 PolarHBondContact O-N 2.99Š| ||
| 1427 | S | 76.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | trans | -75.9 | 141.5 | 176.8 | -48.9 | 0 | 0 | 0 | 0 | 111.2 | Q1379 E1421 P1443 | Q1379-S1427 VanDerWaalsContact CD-OG 3.29Å; Q1379-S1427 PolarHBondContact NE2-OG 3.29Å; Q1379-S1427 PolarHBondContact OE1-OG 3.23Å; E1421-S1427 CarbonylContact O-C 3.58Å; E1421-S1427 WeakPolarHBondContact O-CA 3.49Å; E1421-S1427 WeakPolarHBondContact O-CB 3.42Å; S1427-P1443 WeakPolarHBondContact O-CD 3.42Å | ||
| 1428 | R | 86.5 | Confident | 83.3 | Confident | 73 Ų | 73 | 28 Ų | 28 | 28% | 0.275 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.5 | 175 | -67.8 | -179.8 | -73.9 | -159.1 | -5 | 109.9 | E1421 W1441 | E1421-R1428 HydrophobicContact CB-CB 4.36Å; E1421-R1428 PolarHBondContact N-O 2.91Å; E1421-R1428 PolarHBondContact O-N 2.91Å; E1421-R1428 IonicContact OE1-CZ 3.13Å; E1421-R1428 IonicContact OE1-NE 2.71Å; E1421-R1428 IonicContact OE1-NH2 2.88Å; E1421-R1428 PolarHBondContact OE1-NH2 3.25Å; E1421-R1428 IonicContact OE2-CZ 3.71Å; E1421-R1428 IonicContact OE2-NE 2.79Å; E1421-R1428 PolarHBondContact OE2-NE 3.41Å; E1421-R1428 IonicContact OE2-NH2 3.76Å; E1421-R1428 PolarHBondContact OE2-NH2 3.08Å; R1428-W1441 WeakPolarHBondContact CA-O 3.38Å |
| 1429 | L | 90.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.2 | 169.3 | 175.9 | 73.4 | 0 | 0 | 0 | 107.7 | A1383 V1391 L1393 L1408 V1418 L1420 V1440 W1441 P1443 | A1383-L1429 HydrophobicContact CB-CD1 3.53Å; V1391-L1429 HydrophobicContact CG1-CD2 4.01Å; L1393-L1429 HydrophobicContact CD1-CD1 4.37Å; L1393-L1429 HydrophobicContact CD1-CD2 3.5Å; L1393-L1429 VanDerWaalsContact CD1-CD2 3.5Å; L1393-L1429 HydrophobicContact CD1-CG 4.45Å; L1408-L1429 HydrophobicContact CD1-CD2 3.46Å; L1408-L1429 VanDerWaalsContact CD1-CD2 3.46Å; V1418-L1429 HydrophobicContact CG2-CD1 3.61Å; L1420-L1429 HydrophobicContact CB-CD1 4.38Å; L1420-L1429 HydrophobicContact CD1-CB 4.18Å; L1420-L1429 HydrophobicContact CD1-CD1 4.05Å; L1429-V1440 CarbonylContact O-C 3.59Å; L1429-V1440 WeakPolarHBondContact O-CA 3.43Å; L1429-W1441 HydrophobicContact CB-CB 4.32Å; L1429-W1441 HydrophobicContact CB-CE3 4.44Å; L1429-W1441 HydrophobicContact CD2-CB 4.49Å; L1429-W1441 HydrophobicContact CD2-CD2 4.35Å; L1429-W1441 HydrophobicContact CD2-CE3 3.81Å; L1429-W1441 HydrophobicContact CD2-CZ3 4.36Å; L1429-W1441 HydrophobicContact CG-CE3 3.98Å; L1429-W1441 PolarHBondContact N-O 2.92Å; L1429-W1441 PolarHBondContact O-N 3.5Å; L1429-P1443 HydrophobicContact CB-CG 4.39Å |
| 1430 | V | 92.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.9 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | V1418 H1419 L1438 C1439 V1440 I1465 F1486 | V1418-V1430 CarbonylContact C-O 3.55Å; V1418-V1430 WeakPolarHBondContact CA-O 3.25Å; H1419-V1430 PolarHBondContact N-O 3.17Å; H1419-V1430 PolarHBondContact O-N 3.42Å; V1430-L1438 HydrophobicContact CG1-CD1 3.81Å; V1430-L1438 HydrophobicContact CG1-CG 4.27Å; V1430-C1439 CarbonylContact C-O 3.54Å; V1430-C1439 WeakPolarHBondContact CA-O 3.42Å; V1430-V1440 HydrophobicContact CG1-CG2 4.2Å; V1430-V1440 HydrophobicContact CG2-CG1 4.22Å; V1430-V1440 HydrophobicContact CG2-CG2 4.15Å; V1430-I1465 HydrophobicContact CB-CD1 4.01Å; V1430-I1465 HydrophobicContact CG1-CD1 3.73Å; V1430-F1486 HydrophobicContact CG1-CE1 4.3Å; V1430-F1486 HydrophobicContact CG2-CD2 4.33Å; V1430-F1486 HydrophobicContact CG2-CE1 4.26Å; V1430-F1486 HydrophobicContact CG2-CE2 3.88Å; V1430-F1486 HydrophobicContact CG2-CZ 3.86Å |
| 1431 | A | 94.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1391 L1411 V1415 K1417 V1418 L1438 C1439 W1441 | V1391-A1431 HydrophobicContact CG2-CB 3.96Å; L1411-A1431 HydrophobicContact CD1-CB 3.86Å; V1415-A1431 HydrophobicContact CG1-CB 3.96Å; K1417-A1431 CarbonylContact O-C 3.51Å; K1417-A1431 VanDerWaalsContact O-CA 3.29Å; K1417-A1431 WeakPolarHBondContact O-CA 3.31Å; V1418-A1431 HydrophobicContact CG2-CB 4.37Å; A1431-L1438 WeakPolarHBondContact O-CA 3.4Å; A1431-C1439 PolarHBondContact N-O 3.46Å; A1431-C1439 PolarHBondContact O-N 2.86Å; A1431-W1441 HydrophobicContact CB-CH2 4.1Å; A1431-W1441 HydrophobicContact CB-CZ3 3.63Å |
| 1432 | G | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1415 C1416 K1417 Q1437 | V1415-G1432 CarbonylContact C-O 3.53Å; C1416-G1432 PolarHBondContact N-O 2.88Å; C1416-G1432 VanDerWaalsContact SG-C 3.55Å; C1416-G1432 PolarHBondContact SG-O 2.84Å; K1417-G1432 PolarHBondContact N-O 3.14Å; K1417-G1432 PolarHBondContact O-N 2.94Å; G1432-Q1437 CarbonylContact C-O 3.46Å; G1432-Q1437 VanDerWaalsContact CA-O 3.28Å; G1432-Q1437 WeakPolarHBondContact CA-O 3.33Å |
| 1433 | T | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159.8 | 177.4 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | L1411 A1413 P1414 R1435 G1436 Q1437 | L1411-T1433 HydrophobicContact CB-CG2 3.76Å; L1411-T1433 HydrophobicContact CD1-CG2 3.7Å; L1411-T1433 HydrophobicContact CD2-CG2 3.66Å; L1411-T1433 HydrophobicContact CG-CG2 3.9Å; A1413-T1433 HydrophobicContact CB-CG2 4.39Å; A1413-T1433 WeakPolarHBondContact O-CG2 3.23Å; P1414-T1433 WeakPolarHBondContact O-CA 3.39Å; T1433-R1435 PolarHBondContact O-N 2.93Å; T1433-R1435 VanDerWaalsContact O-N 3.13Å; T1433-R1435 PolarHBondContact OG1-N 2.79Å; T1433-G1436 PolarHBondContact O-N 3.01Å; T1433-Q1437 HydrophobicContact CG2-CB 4.12Å; T1433-Q1437 PolarHBondContact N-O 3.02Å; T1433-Q1437 WeakPolarHBondContact OG1-CB 3.21Å; T1433-Q1437 PolarHBondContact OG1-N 2.92Å; T1433-Q1437 VanDerWaalsContact OG1-N 3.08Å |
| 1434 | S | 91.9 | Very high | 85.1 | Confident | 38 Ų | 38 | 35 Ų | 35 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.4 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | P1414 D1459 V1460 | P1414-S1434 PolarHBondContact O-N 3.36Å; S1434-D1459 WeakPolarHBondContact O-CA 3.43Å; S1434-V1460 PolarHBondContact O-N 3.32Å |
| 1435 | R | 90.3 | Very high | 86 | Confident | 165 Ų | 165 | 35 Ų | 35 | 62% | 0.623 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 13.2 | 175.5 | -70.4 | -167.3 | 173.2 | 177 | -0.4 | 113.8 | A1413 T1433 Q1454 | A1413-R1435 HydrophobicContact CB-CB 3.96Å; A1413-R1435 HydrophobicContact CB-CG 3.84Å; T1433-R1435 PolarHBondContact O-N 2.93Å; T1433-R1435 VanDerWaalsContact O-N 3.13Å; T1433-R1435 PolarHBondContact OG1-N 2.79Å; R1435-Q1454 PolarHBondContact O-NE2 2.95Å |
| 1436 | G | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 78.6 | 22.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1433 Q1454 I1455 V1460 | T1433-G1436 PolarHBondContact O-N 3.01Å; G1436-Q1454 CarbonylContact O-C 3.56Å; G1436-Q1454 PolarHBondContact O-NE2 3.48Å; G1436-I1455 WeakPolarHBondContact O-CA 3.23Å; G1436-I1455 WeakPolarHBondContact O-CB 3.5Å; G1436-I1455 PolarHBondContact O-N 2.79Å; G1436-V1460 VanDerWaalsContact CA-CG2 3.46Å |
| 1437 | Q | 92.1 | Very high | 86.6 | Confident | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.6 | 167.9 | -63.7 | 176.1 | -44.4 | 0 | 0 | 109.7 | L1411 G1432 T1433 Q1454 | L1411-Q1437 HydrophobicContact CD2-CB 3.78Å; G1432-Q1437 CarbonylContact C-O 3.46Å; G1432-Q1437 VanDerWaalsContact CA-O 3.28Å; G1432-Q1437 WeakPolarHBondContact CA-O 3.33Å; T1433-Q1437 HydrophobicContact CG2-CB 4.12Å; T1433-Q1437 PolarHBondContact N-O 3.02Å; T1433-Q1437 WeakPolarHBondContact OG1-CB 3.21Å; T1433-Q1437 PolarHBondContact OG1-N 2.92Å; T1433-Q1437 VanDerWaalsContact OG1-N 3.08Å; Q1437-Q1454 VanDerWaalsContact CG-OE1 3.31Å |
| 1438 | L | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 167.5 | -167.7 | 75.8 | 0 | 0 | 0 | 109.1 | V1430 A1431 L1452 C1453 I1455 I1463 I1484 | V1430-L1438 HydrophobicContact CG1-CD1 3.81Å; V1430-L1438 HydrophobicContact CG1-CG 4.27Å; A1431-L1438 WeakPolarHBondContact O-CA 3.4Å; L1438-L1452 WeakPolarHBondContact O-CA 3.42Å; L1438-C1453 PolarHBondContact N-O 3.46Å; L1438-C1453 PolarHBondContact O-N 3.04Å; L1438-I1455 HydrophobicContact CB-CD1 3.53Å; L1438-I1455 HydrophobicContact CB-CG1 3.89Å; L1438-I1455 HydrophobicContact CD1-CD1 4.18Å; L1438-I1455 HydrophobicContact CG-CD1 4.3Å; L1438-I1463 HydrophobicContact CD1-CD1 4.35Å; L1438-I1484 HydrophobicContact CD2-CD1 4.19Å |
| 1439 | C | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.5 | 176.4 | -162.5 | 0 | 0 | 0 | 0 | 110.8 | L1411 V1430 A1431 W1441 P1449 T1451 L1452 | L1411-C1439 HydrophobicContact CD1-CB 4.32Å; L1411-C1439 HydrophobicContact CD2-CB 3.73Å; L1411-C1439 HydrophobicContact CG-CB 4.13Å; V1430-C1439 CarbonylContact C-O 3.54Å; V1430-C1439 WeakPolarHBondContact CA-O 3.42Å; A1431-C1439 PolarHBondContact N-O 3.46Å; A1431-C1439 PolarHBondContact O-N 2.86Å; C1439-W1441 HydrophobicContact CB-CE3 4.33Å; C1439-W1441 HydrophobicContact CB-CH2 3.47Å; C1439-W1441 VanDerWaalsContact CB-CH2 3.47Å; C1439-W1441 HydrophobicContact CB-CZ2 3.79Å; C1439-W1441 HydrophobicContact CB-CZ3 3.76Å; C1439-W1441 WeakPolarHBondContact SG-CZ2 3.42Å; C1439-P1449 WeakPolarHBondContact SG-CB 3.13Å; C1439-T1451 CarbonylContact C-O 3.53Å; C1439-T1451 WeakPolarHBondContact CA-O 3.46Å; C1439-L1452 HydrophobicContact CB-CD1 3.79Å |
| 1440 | V | 92.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.8 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | L1429 V1430 P1449 V1450 T1451 F1486 | L1429-V1440 CarbonylContact O-C 3.59Å; L1429-V1440 WeakPolarHBondContact O-CA 3.43Å; V1430-V1440 HydrophobicContact CG1-CG2 4.2Å; V1430-V1440 HydrophobicContact CG2-CG1 4.22Å; V1430-V1440 HydrophobicContact CG2-CG2 4.15Å; V1440-P1449 CarbonylContact O-C 3.59Å; V1440-V1450 HydrophobicContact CG1-CB 4.43Å; V1440-V1450 WeakPolarHBondContact O-CA 3.46Å; V1440-V1450 WeakPolarHBondContact O-CB 3.45Å; V1440-V1450 PolarHBondContact O-N 3.36Å; V1440-T1451 PolarHBondContact N-O 3.37Å; V1440-T1451 PolarHBondContact O-N 3.42Å; V1440-F1486 HydrophobicContact CG2-CB 4.2Å; V1440-F1486 HydrophobicContact CG2-CG 4.46Å |
| 1441 | W | 90.5 | Very high | 86.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153 | 173.3 | -57 | -95.7 | 0 | 0 | 0 | 110.1 | V1391 L1408 D1410 L1411 R1428 L1429 A1431 C1439 | V1391-W1441 HydrophobicContact CG2-CH2 4.06Å; V1391-W1441 HydrophobicContact CG2-CZ3 4.35Å; L1408-W1441 HydrophobicContact CB-CZ2 4.13Å; L1408-W1441 HydrophobicContact CD1-CB 4.5Å; L1408-W1441 HydrophobicContact CD1-CD2 3.77Å; L1408-W1441 HydrophobicContact CD1-CE3 4.22Å; L1408-W1441 HydrophobicContact CD1-CG 3.91Å; L1408-W1441 HydrophobicContact CD1-CZ2 4.33Å; D1410-W1441 HydrophobicContact CB-CZ2 4.12Å; D1410-W1441 PolarHBondContact OD2-NE1 3.4Å; L1411-W1441 HydrophobicContact CD1-CH2 3.79Å; L1411-W1441 HydrophobicContact CG-CH2 4.11Å; R1428-W1441 WeakPolarHBondContact CA-O 3.38Å; L1429-W1441 HydrophobicContact CB-CB 4.32Å; L1429-W1441 HydrophobicContact CB-CE3 4.44Å; L1429-W1441 HydrophobicContact CD2-CB 4.49Å; L1429-W1441 HydrophobicContact CD2-CD2 4.35Å; L1429-W1441 HydrophobicContact CD2-CE3 3.81Å; L1429-W1441 HydrophobicContact CD2-CZ3 4.36Å; L1429-W1441 HydrophobicContact CG-CE3 3.98Å; L1429-W1441 PolarHBondContact N-O 2.92Å; L1429-W1441 PolarHBondContact O-N 3.5Å; A1431-W1441 HydrophobicContact CB-CH2 4.1Å; A1431-W1441 HydrophobicContact CB-CZ3 3.63Å; C1439-W1441 HydrophobicContact CB-CE3 4.33Å; C1439-W1441 HydrophobicContact CB-CH2 3.47Å; C1439-W1441 VanDerWaalsContact CB-CH2 3.47Å; C1439-W1441 HydrophobicContact CB-CZ2 3.79Å; C1439-W1441 HydrophobicContact CB-CZ3 3.76Å; C1439-W1441 WeakPolarHBondContact SG-CZ2 3.42Å |
| 1442 | D | 86.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | trans | -91.9 | 123.2 | 158 | -177.7 | -37.1 | 0 | 0 | 0 | 106.1 | R1444 L1445 V1450 | D1442-R1444 PolarHBondContact O-N 2.88Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.26Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.33Å; D1442-R1444 IonicContact OD1-CZ 3.92Å; D1442-R1444 PolarHBondContact OD1-N 3.34Å; D1442-R1444 IonicContact OD1-NE 2.81Å; D1442-R1444 PolarHBondContact OD1-NE 2.89Å; D1442-R1444 IonicContact OD1-NH2 3.57Å; D1442-R1444 IonicContact OD2-CZ 3.76Å; D1442-R1444 IonicContact OD2-NE 3.87Å; D1442-R1444 PolarHBondContact OD2-NE 2.86Å; D1442-R1444 IonicContact OD2-NH2 3.99Å; D1442-R1444 PolarHBondContact OD2-NH2 3.44Å; D1442-L1445 HydrophobicContact CB-CB 4.12Å; D1442-L1445 HydrophobicContact CB-CD1 3.98Å; D1442-L1445 HydrophobicContact CB-CG 4.23Å; D1442-L1445 PolarHBondContact O-N 2.99Å; D1442-V1450 HydrophobicContact CB-CG2 4.22Å | ||
| 1443 | P | 80.4 | Confident | 86.4 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.9 | -179.7 | -24.8 | 33.5 | 0 | 0 | 0 | 114.4 | L1381 L1420 S1427 L1429 | L1381-P1443 HydrophobicContact CD1-CB 4.41Å; L1420-P1443 HydrophobicContact CD1-CG 3.94Å; S1427-P1443 WeakPolarHBondContact O-CD 3.42Å; L1429-P1443 HydrophobicContact CB-CG 4.39Å |
| 1444 | R | 79.3 | Confident | 86.1 | Confident | 155 Ų | 155 | 66.5 Ų | 66.5 | 59% | 0.585 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15.3 | 178.1 | -56.1 | 168.3 | -66.5 | -178.1 | 4.3 | 113.1 | D1442 | D1442-R1444 PolarHBondContact O-N 2.88Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.26Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.33Å; D1442-R1444 IonicContact OD1-CZ 3.92Å; D1442-R1444 PolarHBondContact OD1-N 3.34Å; D1442-R1444 IonicContact OD1-NE 2.81Å; D1442-R1444 PolarHBondContact OD1-NE 2.89Å; D1442-R1444 IonicContact OD1-NH2 3.57Å; D1442-R1444 IonicContact OD2-CZ 3.76Å; D1442-R1444 IonicContact OD2-NE 3.87Å; D1442-R1444 PolarHBondContact OD2-NE 2.86Å; D1442-R1444 IonicContact OD2-NH2 3.99Å; D1442-R1444 PolarHBondContact OD2-NH2 3.44Å |
| 1445 | L | 75.2 | Confident | 85.8 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 53% | 0.534 | 31% | 0.311 | S | S | . | . | trans | -107.4 | 114.5 | 178.2 | -70.3 | 168.2 | 0 | 0 | 0 | 109.8 | D1442 | D1442-L1445 HydrophobicContact CB-CB 4.12Å; D1442-L1445 HydrophobicContact CB-CD1 3.98Å; D1442-L1445 HydrophobicContact CB-CG 4.23Å; D1442-L1445 PolarHBondContact O-N 2.99Å | ||
| 1446 | F | 67.1 | Low | 85.2 | Confident | 148 Ų | 148 | 59 Ų | 59 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | trans | -108.4 | 1.5 | -162.9 | 50.4 | -94 | 0 | 0 | 0 | 115.1 | M1406 | M1406-F1446 HydrophobicContact CE-CB 3.95Š| ||
| 1447 | Q | 69.4 | Low | 84.5 | Confident | 167 Ų | 167 | 67.4 Ų | 67.4 | 78% | 0.78 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -102.5 | -40.5 | -174.2 | -71.7 | -171.8 | -12 | 0 | 0 | 114.2 | ||
| 1448 | E | 80.6 | Confident | 83.8 | Confident | 156 Ų | 156 | 66.9 Ų | 66.9 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -143.5 | 147.8 | -175.2 | -66.5 | -171.8 | 173.9 | 0 | 0 | 110.7 | ||
| 1449 | P | 87.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | trans | -64.5 | 140.4 | 172.8 | 27.7 | -33.9 | 0 | 0 | 0 | 111.1 | C1439 V1440 T1451 L1452 | C1439-P1449 WeakPolarHBondContact SG-CB 3.13Å; V1440-P1449 CarbonylContact O-C 3.59Å; P1449-T1451 VanDerWaalsContact C-N 3.26Å; P1449-T1451 PolarHBondContact O-N 3.25Å; P1449-L1452 HydrophobicContact CG-CB 4.24Å | ||
| 1450 | V | 88.6 | Confident | 83.1 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 53% | 0.527 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -62.9 | -38.5 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | V1440 D1442 | V1440-V1450 HydrophobicContact CG1-CB 4.43Å; V1440-V1450 WeakPolarHBondContact O-CA 3.46Å; V1440-V1450 WeakPolarHBondContact O-CB 3.45Å; V1440-V1450 PolarHBondContact O-N 3.36Å; D1442-V1450 HydrophobicContact CB-CG2 4.22Å |
| 1451 | T | 89.6 | Confident | 82.9 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 132.2 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | C1439 V1440 P1449 F1486 | C1439-T1451 CarbonylContact C-O 3.53Å; C1439-T1451 WeakPolarHBondContact CA-O 3.46Å; V1440-T1451 PolarHBondContact N-O 3.37Å; V1440-T1451 PolarHBondContact O-N 3.42Å; P1449-T1451 VanDerWaalsContact C-N 3.26Å; P1449-T1451 PolarHBondContact O-N 3.25Å; T1451-F1486 WeakPolarHBondContact CG2-O 3.39Å |
| 1452 | L | 91.8 | Very high | 82.9 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 45% | 0.45 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.4 | 169.6 | 177.7 | 66.6 | 0 | 0 | 0 | 107.2 | L1411 L1438 C1439 P1449 | L1411-L1452 HydrophobicContact CD2-CD1 4.09Å; L1438-L1452 WeakPolarHBondContact O-CA 3.42Å; C1439-L1452 HydrophobicContact CB-CD1 3.79Å; P1449-L1452 HydrophobicContact CG-CB 4.24Å |
| 1453 | C | 91.2 | Very high | 83.2 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.2 | -177.9 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | L1438 | L1438-C1453 PolarHBondContact N-O 3.46Å; L1438-C1453 PolarHBondContact O-N 3.04Å |
| 1454 | Q | 90 | Very high | 83.9 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.2 | 175.4 | -173.7 | 65.5 | 34.2 | 0 | 0 | 109.2 | R1435 G1436 Q1437 G1456 | R1435-Q1454 PolarHBondContact O-NE2 2.95Å; G1436-Q1454 CarbonylContact O-C 3.56Å; G1436-Q1454 PolarHBondContact O-NE2 3.48Å; Q1437-Q1454 VanDerWaalsContact CG-OE1 3.31Å; Q1454-G1456 PolarHBondContact NE2-O 3.15Å; Q1454-G1456 PolarHBondContact O-N 2.74Å |
| 1455 | I | 84.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | trans | -97.4 | 82.9 | -178.8 | -46.2 | 161.1 | 0 | 0 | 0 | 109 | G1436 L1438 V1474 I1476 I1484 | G1436-I1455 WeakPolarHBondContact O-CA 3.23Å; G1436-I1455 WeakPolarHBondContact O-CB 3.5Å; G1436-I1455 PolarHBondContact O-N 2.79Å; L1438-I1455 HydrophobicContact CB-CD1 3.53Å; L1438-I1455 HydrophobicContact CB-CG1 3.89Å; L1438-I1455 HydrophobicContact CD1-CD1 4.18Å; L1438-I1455 HydrophobicContact CG-CD1 4.3Å; I1455-V1474 HydrophobicContact CD1-CG2 4.06Å; I1455-V1474 HydrophobicContact CG2-CB 4.3Å; I1455-V1474 HydrophobicContact CG2-CG1 4.28Å; I1455-V1474 HydrophobicContact CG2-CG2 4.13Å; I1455-I1476 HydrophobicContact CG2-CD1 4.36Å; I1455-I1484 HydrophobicContact CB-CD1 4.48Å; I1455-I1484 HydrophobicContact CD1-CD1 3.67Å; I1455-I1484 HydrophobicContact CG1-CD1 3.76Å; I1455-I1484 HydrophobicContact CG2-CD1 3.83Å; I1455-I1484 HydrophobicContact CG2-CG2 4.44Å | ||
| 1456 | G | 76.5 | Confident | 85.3 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | trans | 70.5 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q1454 | Q1454-G1456 PolarHBondContact NE2-O 3.15Å; Q1454-G1456 PolarHBondContact O-N 2.74Å | ||
| 1457 | D | 74.2 | Confident | 86.2 | Confident | 177 Ų | 177 | 59.1 Ų | 59.1 | 95% | 0.947 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -103.8 | 24.8 | -168.3 | -67.6 | -23.4 | 0 | 0 | 0 | 113.7 | ||
| 1458 | G | 77.9 | Confident | 86.6 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -137.6 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1459 | D | 84.1 | Confident | 86.9 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | trans | -66.8 | 134.5 | 173.4 | -67.9 | -29.9 | 0 | 0 | 0 | 110 | S1434 | S1434-D1459 WeakPolarHBondContact O-CA 3.43Š| ||
| 1460 | V | 88 | Confident | 86.9 | Confident | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 119.3 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | S1434 G1436 A1462 I1463 V1474 G1475 | S1434-V1460 PolarHBondContact O-N 3.32Å; G1436-V1460 VanDerWaalsContact CA-CG2 3.46Å; V1460-A1462 WeakPolarHBondContact CG1-O 3.49Å; V1460-I1463 HydrophobicContact CG1-CB 4.07Å; V1460-I1463 HydrophobicContact CG1-CG2 4.46Å; V1460-V1474 HydrophobicContact CB-CG1 4.33Å; V1460-V1474 HydrophobicContact CG1-CG1 3.73Å; V1460-V1474 HydrophobicContact CG2-CG1 3.68Å; V1460-G1475 WeakPolarHBondContact CA-O 3.39Å |
| 1461 | T | 87.8 | Confident | 87.1 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -35.3 | 179 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | G1475 | T1461-G1475 PolarHBondContact N-O 3.43Å; T1461-G1475 PolarHBondContact OG1-O 2.92Å |
| 1462 | A | 89.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 151.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1460 G1475 L1508 L1511 | V1460-A1462 WeakPolarHBondContact CG1-O 3.49Å; A1462-G1475 PolarHBondContact O-N 3.22Å; A1462-L1508 HydrophobicContact CB-CD2 3.38Å; A1462-L1511 HydrophobicContact CB-CB 3.93Å |
| 1463 | I | 92.9 | Very high | 87.4 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 140.5 | 174.6 | -176.7 | 165.3 | 0 | 0 | 0 | 109.2 | C1416 K1417 L1438 V1460 A1473 V1474 | C1416-I1463 HydrophobicContact CB-CG2 4.3Å; C1416-I1463 WeakPolarHBondContact SG-CG2 3.39Å; K1417-I1463 HydrophobicContact CB-CG2 3.5Å; K1417-I1463 HydrophobicContact CG-CG2 4.47Å; L1438-I1463 HydrophobicContact CD1-CD1 4.35Å; V1460-I1463 HydrophobicContact CG1-CB 4.07Å; V1460-I1463 HydrophobicContact CG1-CG2 4.46Å; I1463-A1473 WeakPolarHBondContact CA-O 3.45Å; I1463-V1474 HydrophobicContact CD1-CG2 3.91Å; I1463-V1474 HydrophobicContact CG1-CG2 4.05Å |
| 1464 | D | 94.7 | Very high | 87.5 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.9 | 168.5 | -161.1 | 38.5 | 0 | 0 | 0 | 110.4 | K1417 A1472 A1473 L1511 T1512 F1513 | K1417-D1464 WeakPolarHBondContact CE-OD1 3.36Å; K1417-D1464 IonicContact NZ-OD1 2.9Å; K1417-D1464 PolarHBondContact NZ-OD1 3.37Å; D1464-A1472 CarbonylContact O-C 3.55Å; D1464-A1472 VanDerWaalsContact O-CA 3.27Å; D1464-A1472 WeakPolarHBondContact O-CA 3.31Å; D1464-A1472 WeakPolarHBondContact O-CB 3.28Å; D1464-A1473 PolarHBondContact N-O 3Å; D1464-A1473 PolarHBondContact O-N 3.44Å; D1464-L1511 HydrophobicContact CB-CG 4.37Å; D1464-T1512 VanDerWaalsContact OD2-CA 3.26Å; D1464-T1512 WeakPolarHBondContact OD2-CA 3.5Å; D1464-F1513 HydrophobicContact CB-CD2 4.18Å; D1464-F1513 WeakPolarHBondContact O-CE2 3.25Å; D1464-F1513 PolarHBondContact OD2-N 3.23Å |
| 1465 | I | 93.7 | Very high | 87.5 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.2 | -175.9 | -62.5 | 167.7 | 0 | 0 | 0 | 107.1 | K1417 H1419 V1430 A1472 F1486 | K1417-I1465 HydrophobicContact CG-CD1 4.13Å; K1417-I1465 HydrophobicContact CG-CG1 4.43Å; H1419-I1465 HydrophobicContact CB-CB 3.93Å; H1419-I1465 HydrophobicContact CB-CD1 3.64Å; H1419-I1465 HydrophobicContact CB-CG1 4.38Å; H1419-I1465 HydrophobicContact CB-CG2 3.8Å; V1430-I1465 HydrophobicContact CB-CD1 4.01Å; V1430-I1465 HydrophobicContact CG1-CD1 3.73Å; I1465-A1472 HydrophobicContact CG1-CB 4.08Å; I1465-F1486 HydrophobicContact CG2-CE1 4.02Å; I1465-F1486 HydrophobicContact CG2-CZ 3.99Å |
| 1466 | H | 91.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -68.8 | 132.8 | -178.3 | -172.6 | -72.3 | 0 | 0 | 0 | 109.9 | C1468 L1469 M1471 F1513 H1514 Q1517 | H1466-C1468 VanDerWaalsContact C-N 3.35Å; H1466-C1468 PolarHBondContact ND1-N 3.13Å; H1466-C1468 PolarHBondContact O-N 3.44Å; H1466-L1469 HydrophobicContact CB-CB 4.31Å; H1466-L1469 WeakPolarHBondContact ND1-CB 3.44Å; H1466-L1469 PolarHBondContact ND1-N 3.24Å; H1466-L1469 VanDerWaalsContact ND1-N 3.18Å; H1466-M1471 HydrophobicContact CB-CG 3.48Å; H1466-M1471 VanDerWaalsContact CB-CG 3.48Å; H1466-M1471 HydrophobicContact CB-SD 4.04Å; H1466-M1471 PolarHBondContact N-O 3.47Å; H1466-M1471 VanDerWaalsContact N-O 3.08Å; H1466-F1513 HydrophobicContact CB-CD2 4.02Å; H1466-F1513 HydrophobicContact CB-CE2 4.26Å; H1466-F1513 HydrophobicContact CB-CG 4.15Å; H1466-H1514 PolarHBondContact NE2-O 3.11Å; H1466-Q1517 PolarHBondContact NE2-O 3.1Å | ||
| 1467 | P | 84.7 | Confident | 87.1 | Confident | 51 Ų | 51 | 31 Ų | 31 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -60.3 | -39.4 | -171.4 | -28 | 36.6 | 0 | 0 | 0 | 114.8 | H1419 | H1419-P1467 PolarHBondContact NE2-O 3.24Š|
| 1468 | C | 79.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 23 Ų | 23 | 25% | 0.25 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -115.2 | -5.8 | -171 | -46.3 | 0 | 0 | 0 | 0 | 115.4 | M14 H1466 | M14-C1468 HydrophobicContact CE-CB 4.22Å; M14-C1468 HydrophobicContact CG-CB 4.44Å; H1466-C1468 VanDerWaalsContact C-N 3.35Å; H1466-C1468 PolarHBondContact ND1-N 3.13Å; H1466-C1468 PolarHBondContact O-N 3.44Å |
| 1469 | L | 86.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -124.8 | 144.8 | -171.9 | -64.3 | 175.7 | 0 | 0 | 0 | 109.1 | W1188 H1466 M1471 V1518 | W1188-L1469 HydrophobicContact CB-CD1 3.98Å; W1188-L1469 HydrophobicContact CB-CD2 4.17Å; W1188-L1469 HydrophobicContact CD2-CD1 4.38Å; W1188-L1469 HydrophobicContact CD2-CD2 4.18Å; W1188-L1469 HydrophobicContact CE3-CB 4.17Å; W1188-L1469 HydrophobicContact CE3-CD1 4.03Å; W1188-L1469 HydrophobicContact CE3-CD2 4.47Å; W1188-L1469 HydrophobicContact CE3-CG 4.47Å; W1188-L1469 HydrophobicContact CG-CD1 4.39Å; W1188-L1469 HydrophobicContact CG-CD2 4.04Å; W1188-L1469 HydrophobicContact CZ3-CB 4.37Å; H1466-L1469 HydrophobicContact CB-CB 4.31Å; H1466-L1469 WeakPolarHBondContact ND1-CB 3.44Å; H1466-L1469 PolarHBondContact ND1-N 3.24Å; H1466-L1469 VanDerWaalsContact ND1-N 3.18Å; L1469-M1471 HydrophobicContact CB-CG 4.2Å; L1469-M1471 HydrophobicContact CD1-CE 4.36Å; L1469-M1471 PolarHBondContact O-N 3.41Å; L1469-V1518 HydrophobicContact CD1-CG1 3.6Å |
| 1470 | P | 88 | Confident | 86.7 | Confident | 23 Ų | 23 | 22.1 Ų | 22.1 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -78.9 | 61.2 | -174.3 | 32.7 | -35.1 | 0 | 0 | 0 | 112.8 | W1188 N1485 F1486 | W1188-P1470 HydrophobicContact CH2-CG 3.69Å; W1188-P1470 HydrophobicContact CZ2-CG 3.69Å; P1470-N1485 WeakPolarHBondContact O-CA 3.33Å; P1470-F1486 VanDerWaalsContact CA-CE2 3.45Å; P1470-F1486 HydrophobicContact CB-CD2 3.66Å; P1470-F1486 HydrophobicContact CB-CE2 3.79Å; P1470-F1486 HydrophobicContact CB-CG 4.25Å; P1470-F1486 HydrophobicContact CB-CZ 4.45Å; P1470-F1486 PolarHBondContact O-N 3.47Å |
| 1471 | M | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.4 | 179.6 | 62.4 | 159.2 | 72.8 | 0 | 0 | 113.2 | W1188 L1191 H1466 L1469 V1483 I1484 L1491 F1513 V1518 | W1188-M1471 HydrophobicContact CE3-CE 3.3Å; W1188-M1471 HydrophobicContact CZ3-CB 4Å; W1188-M1471 HydrophobicContact CZ3-CE 3.27Å; W1188-M1471 HydrophobicContact CZ3-CG 4.2Å; L1191-M1471 HydrophobicContact CD2-CE 3.42Å; L1191-M1471 VanDerWaalsContact CD2-CE 3.42Å; H1466-M1471 HydrophobicContact CB-CG 3.48Å; H1466-M1471 VanDerWaalsContact CB-CG 3.48Å; H1466-M1471 HydrophobicContact CB-SD 4.04Å; H1466-M1471 PolarHBondContact N-O 3.47Å; H1466-M1471 VanDerWaalsContact N-O 3.08Å; L1469-M1471 HydrophobicContact CB-CG 4.2Å; L1469-M1471 HydrophobicContact CD1-CE 4.36Å; L1469-M1471 PolarHBondContact O-N 3.41Å; M1471-V1483 HydrophobicContact SD-CG1 4.14Å; M1471-I1484 CarbonylContact C-O 3.56Å; M1471-I1484 WeakPolarHBondContact CA-O 3.39Å; M1471-I1484 WeakPolarHBondContact CB-O 3.38Å; M1471-L1491 HydrophobicContact CB-CD1 4.48Å; M1471-F1513 HydrophobicContact CG-CZ 4.38Å; M1471-F1513 HydrophobicContact SD-CD1 4.45Å; M1471-F1513 HydrophobicContact SD-CE1 3.66Å; M1471-F1513 HydrophobicContact SD-CZ 3.72Å; M1471-V1518 HydrophobicContact CE-CB 4.37Å; M1471-V1518 HydrophobicContact CE-CG1 3.56Å; M1471-V1518 HydrophobicContact SD-CG1 4.37Å |
| 1472 | A | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | D1464 I1465 V1483 I1484 | D1464-A1472 CarbonylContact O-C 3.55Å; D1464-A1472 VanDerWaalsContact O-CA 3.27Å; D1464-A1472 WeakPolarHBondContact O-CA 3.31Å; D1464-A1472 WeakPolarHBondContact O-CB 3.28Å; I1465-A1472 HydrophobicContact CG1-CB 4.08Å; A1472-V1483 CarbonylContact O-C 3.51Å; A1472-V1483 WeakPolarHBondContact O-CA 3.43Å; A1472-I1484 HydrophobicContact CB-CD1 4.4Å; A1472-I1484 HydrophobicContact CB-CG1 4.02Å; A1472-I1484 PolarHBondContact N-O 2.84Å; A1472-I1484 WeakPolarHBondContact O-CG1 3.34Å; A1472-I1484 PolarHBondContact O-N 3.46Å |
| 1473 | A | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | I1463 D1464 V1481 N1482 V1483 L1511 F1513 L1520 | I1463-A1473 WeakPolarHBondContact CA-O 3.45Å; D1464-A1473 PolarHBondContact N-O 3Å; D1464-A1473 PolarHBondContact O-N 3.44Å; A1473-V1481 HydrophobicContact CB-CG1 4.17Å; A1473-N1482 CarbonylContact C-O 3.59Å; A1473-N1482 WeakPolarHBondContact CA-O 3.3Å; A1473-V1483 HydrophobicContact CB-CG2 4.31Å; A1473-L1511 HydrophobicContact CB-CD2 3.65Å; A1473-L1511 HydrophobicContact CB-CG 4.24Å; A1473-L1511 VanDerWaalsContact O-CD2 3.22Å; A1473-L1511 WeakPolarHBondContact O-CD2 3.35Å; A1473-F1513 HydrophobicContact CB-CE1 4.3Å; A1473-F1513 HydrophobicContact CB-CE2 3.58Å; A1473-F1513 HydrophobicContact CB-CZ 3.42Å; A1473-F1513 VanDerWaalsContact CB-CZ 3.42Å; A1473-L1520 HydrophobicContact CB-CD1 3.82Å; A1473-L1520 HydrophobicContact CB-CD2 4.25Å |
| 1474 | V | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.2 | -172.9 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | I1455 V1460 I1463 I1476 V1481 N1482 I1484 | I1455-V1474 HydrophobicContact CD1-CG2 4.06Å; I1455-V1474 HydrophobicContact CG2-CB 4.3Å; I1455-V1474 HydrophobicContact CG2-CG1 4.28Å; I1455-V1474 HydrophobicContact CG2-CG2 4.13Å; V1460-V1474 HydrophobicContact CB-CG1 4.33Å; V1460-V1474 HydrophobicContact CG1-CG1 3.73Å; V1460-V1474 HydrophobicContact CG2-CG1 3.68Å; I1463-V1474 HydrophobicContact CD1-CG2 3.91Å; I1463-V1474 HydrophobicContact CG1-CG2 4.05Å; V1474-I1476 HydrophobicContact CG1-CG1 4.14Å; V1474-V1481 WeakPolarHBondContact O-CA 3.21Å; V1474-N1482 PolarHBondContact N-O 3.31Å; V1474-N1482 PolarHBondContact O-N 2.77Å; V1474-I1484 HydrophobicContact CG2-CD1 3.81Å; V1474-I1484 HydrophobicContact CG2-CG1 4.17Å |
| 1475 | G | 89.7 | Confident | 87 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1460 T1461 A1462 Q1480 | V1460-G1475 WeakPolarHBondContact CA-O 3.39Å; T1461-G1475 PolarHBondContact N-O 3.43Å; T1461-G1475 PolarHBondContact OG1-O 2.92Å; A1462-G1475 PolarHBondContact O-N 3.22Å; G1475-Q1480 WeakPolarHBondContact CA-O 3.47Å |
| 1476 | I | 80.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 18.5 Ų | 18.5 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.1 | -179.6 | -53.9 | 178 | 0 | 0 | 0 | 108.7 | I1455 V1474 G1478 Q1480 | I1455-I1476 HydrophobicContact CG2-CD1 4.36Å; V1474-I1476 HydrophobicContact CG1-CG1 4.14Å; I1476-G1478 VanDerWaalsContact C-N 3.29Å; I1476-G1478 PolarHBondContact O-N 3.42Å; I1476-Q1480 PolarHBondContact N-O 3.28Å |
| 1477 | G | 73 | Confident | 86.6 | Confident | 57 Ų | 57 | 24 Ų | 24 | 59% | 0.588 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 30.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1479 | G1477-S1479 PolarHBondContact O-N 2.9Å; G1477-S1479 PolarHBondContact O-OG 2.81Å |
| 1478 | G | 71 | Confident | 86.7 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -20.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | I1476 L1508 | I1476-G1478 VanDerWaalsContact C-N 3.29Å; I1476-G1478 PolarHBondContact O-N 3.42Å; G1478-L1508 PolarHBondContact O-N 3.22Å |
| 1479 | S | 73.1 | Confident | 87.2 | Confident | 50 Ų | 50 | 26.4 Ų | 26.4 | 35% | 0.35 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -10.5 | -167.9 | 55.6 | 0 | 0 | 0 | 0 | 116.2 | G1477 H1497 | G1477-S1479 PolarHBondContact O-N 2.9Å; G1477-S1479 PolarHBondContact O-OG 2.81Å; S1479-H1497 WeakPolarHBondContact CB-NE2 3.32Å |
| 1480 | Q | 84.1 | Confident | 87.3 | Confident | 72 Ų | 72 | 29.1 Ų | 29.1 | 34% | 0.336 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.2 | -174.9 | -175.1 | 176.8 | 2.3 | 0 | 0 | 110.6 | G1475 I1476 N1482 S1493 R1495 | G1475-Q1480 WeakPolarHBondContact CA-O 3.47Å; I1476-Q1480 PolarHBondContact N-O 3.28Å; Q1480-N1482 PolarHBondContact NE2-OD1 3.22Å; Q1480-S1493 PolarHBondContact NE2-OG 3.15Å; Q1480-R1495 HydrophobicContact CB-CG 4.49Å; Q1480-R1495 HydrophobicContact CG-CG 4.21Å |
| 1481 | V | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.4 | 172.2 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | A1473 V1474 I1494 H1496 L1508 L1511 L1520 I1522 | A1473-V1481 HydrophobicContact CB-CG1 4.17Å; V1474-V1481 WeakPolarHBondContact O-CA 3.21Å; V1481-I1494 PolarHBondContact N-O 3.48Å; V1481-I1494 PolarHBondContact O-N 2.96Å; V1481-H1496 WeakPolarHBondContact CG2-NE2 3.48Å; V1481-L1508 HydrophobicContact CG2-CD1 3.27Å; V1481-L1511 HydrophobicContact CG1-CD1 4.11Å; V1481-L1511 HydrophobicContact CG1-CD2 4.37Å; V1481-L1511 HydrophobicContact CG2-CD1 4.21Å; V1481-L1520 HydrophobicContact CG1-CD2 3.99Å; V1481-I1522 HydrophobicContact CG2-CD1 4.26Å |
| 1482 | N | 91.5 | Very high | 87.4 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.8 | 175.6 | -68.8 | -29.2 | 0 | 0 | 0 | 109.8 | A1473 V1474 Q1480 I1484 T1490 S1493 | A1473-N1482 CarbonylContact C-O 3.59Å; A1473-N1482 WeakPolarHBondContact CA-O 3.3Å; V1474-N1482 PolarHBondContact N-O 3.31Å; V1474-N1482 PolarHBondContact O-N 2.77Å; Q1480-N1482 PolarHBondContact NE2-OD1 3.22Å; N1482-I1484 HydrophobicContact CB-CG2 4.36Å; N1482-T1490 HydrophobicContact CB-CG2 4.26Å; N1482-S1493 WeakPolarHBondContact OD1-CB 3.21Å; N1482-S1493 PolarHBondContact OD1-OG 2.83Å |
| 1483 | V | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.6 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | L1191 Y1198 M1471 A1472 A1473 L1491 A1492 F1513 L1520 | L1191-V1483 HydrophobicContact CD2-CG1 4.22Å; Y1198-V1483 HydrophobicContact CD2-CG2 4.48Å; Y1198-V1483 HydrophobicContact CE2-CB 4.38Å; Y1198-V1483 HydrophobicContact CE2-CG2 3.78Å; M1471-V1483 HydrophobicContact SD-CG1 4.14Å; A1472-V1483 CarbonylContact O-C 3.51Å; A1472-V1483 WeakPolarHBondContact O-CA 3.43Å; A1473-V1483 HydrophobicContact CB-CG2 4.31Å; V1483-L1491 PolarHBondContact O-N 3.16Å; V1483-A1492 HydrophobicContact CB-CB 4.35Å; V1483-A1492 PolarHBondContact N-O 2.99Å; V1483-A1492 PolarHBondContact O-N 3.21Å; V1483-F1513 HydrophobicContact CG1-CZ 4.42Å; V1483-L1520 HydrophobicContact CG2-CD2 4.47Å |
| 1484 | I | 92.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 155.6 | -174.6 | 62.8 | 169.9 | 0 | 0 | 0 | 110.7 | L1438 I1455 M1471 A1472 V1474 N1482 Q1489 | L1438-I1484 HydrophobicContact CD2-CD1 4.19Å; I1455-I1484 HydrophobicContact CB-CD1 4.48Å; I1455-I1484 HydrophobicContact CD1-CD1 3.67Å; I1455-I1484 HydrophobicContact CG1-CD1 3.76Å; I1455-I1484 HydrophobicContact CG2-CD1 3.83Å; I1455-I1484 HydrophobicContact CG2-CG2 4.44Å; M1471-I1484 CarbonylContact C-O 3.56Å; M1471-I1484 WeakPolarHBondContact CA-O 3.39Å; M1471-I1484 WeakPolarHBondContact CB-O 3.38Å; A1472-I1484 HydrophobicContact CB-CD1 4.4Å; A1472-I1484 HydrophobicContact CB-CG1 4.02Å; A1472-I1484 PolarHBondContact N-O 2.84Å; A1472-I1484 WeakPolarHBondContact O-CG1 3.34Å; A1472-I1484 PolarHBondContact O-N 3.46Å; V1474-I1484 HydrophobicContact CG2-CD1 3.81Å; V1474-I1484 HydrophobicContact CG2-CG1 4.17Å; N1482-I1484 HydrophobicContact CB-CG2 4.36Å; I1484-Q1489 CarbonylContact C-O 3.56Å; I1484-Q1489 VanDerWaalsContact CA-O 3.25Å; I1484-Q1489 WeakPolarHBondContact CA-O 3.47Å |
| 1485 | N | 91.3 | Very high | 86.2 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 171.2 | 164 | 69 | 16.5 | 0 | 0 | 0 | 111.2 | P1470 N1487 G1488 Q1489 L1491 | P1470-N1485 WeakPolarHBondContact O-CA 3.33Å; N1485-N1487 PolarHBondContact O-N 2.95Å; N1485-N1487 VanDerWaalsContact O-N 3.12Å; N1485-N1487 WeakPolarHBondContact OD1-CB 3.43Å; N1485-N1487 PolarHBondContact OD1-N 3.24Å; N1485-N1487 VanDerWaalsContact OD1-N 3.1Å; N1485-G1488 PolarHBondContact O-N 3.37Å; N1485-G1488 PolarHBondContact OD1-N 3.16Å; N1485-Q1489 PolarHBondContact N-O 3.21Å; N1485-Q1489 PolarHBondContact ND2-OE1 2.82Å; N1485-Q1489 WeakPolarHBondContact OD1-CB 3.34Å; N1485-Q1489 PolarHBondContact OD1-N 3.38Å; N1485-L1491 HydrophobicContact CB-CD1 4.26Å; N1485-L1491 HydrophobicContact CB-CD2 4.36Å; N1485-L1491 HydrophobicContact CB-CG 4.38Å |
| 1486 | F | 89.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.1 | 179.5 | -67.3 | -13.4 | 0 | 0 | 0 | 115.2 | V1430 V1440 T1451 I1465 P1470 G1488 | V1430-F1486 HydrophobicContact CG1-CE1 4.3Å; V1430-F1486 HydrophobicContact CG2-CD2 4.33Å; V1430-F1486 HydrophobicContact CG2-CE1 4.26Å; V1430-F1486 HydrophobicContact CG2-CE2 3.88Å; V1430-F1486 HydrophobicContact CG2-CZ 3.86Å; V1440-F1486 HydrophobicContact CG2-CB 4.2Å; V1440-F1486 HydrophobicContact CG2-CG 4.46Å; T1451-F1486 WeakPolarHBondContact CG2-O 3.39Å; I1465-F1486 HydrophobicContact CG2-CE1 4.02Å; I1465-F1486 HydrophobicContact CG2-CZ 3.99Å; P1470-F1486 VanDerWaalsContact CA-CE2 3.45Å; P1470-F1486 HydrophobicContact CB-CD2 3.66Å; P1470-F1486 HydrophobicContact CB-CE2 3.79Å; P1470-F1486 HydrophobicContact CB-CG 4.25Å; P1470-F1486 HydrophobicContact CB-CZ 4.45Å; P1470-F1486 PolarHBondContact O-N 3.47Å; F1486-G1488 VanDerWaalsContact C-N 3.27Å |
| 1487 | N | 88.1 | Confident | 84.1 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.8 | 172.2 | -60.9 | -16.2 | 0 | 0 | 0 | 112.5 | N1485 | N1485-N1487 PolarHBondContact O-N 2.95Å; N1485-N1487 VanDerWaalsContact O-N 3.12Å; N1485-N1487 WeakPolarHBondContact OD1-CB 3.43Å; N1485-N1487 PolarHBondContact OD1-N 3.24Å; N1485-N1487 VanDerWaalsContact OD1-N 3.1Å |
| 1488 | G | 85.1 | Confident | 83 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 81.9 | 7.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1485 F1486 | N1485-G1488 PolarHBondContact O-N 3.37Å; N1485-G1488 PolarHBondContact OD1-N 3.16Å; F1486-G1488 VanDerWaalsContact C-N 3.27Å |
| 1489 | Q | 89.8 | Confident | 81.9 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | trans | -82.2 | 128.8 | 179.4 | -171.9 | -174.9 | 5 | 0 | 0 | 110.9 | I1484 N1485 L1491 | I1484-Q1489 CarbonylContact C-O 3.56Å; I1484-Q1489 VanDerWaalsContact CA-O 3.25Å; I1484-Q1489 WeakPolarHBondContact CA-O 3.47Å; N1485-Q1489 PolarHBondContact N-O 3.21Å; N1485-Q1489 PolarHBondContact ND2-OE1 2.82Å; N1485-Q1489 WeakPolarHBondContact OD1-CB 3.34Å; N1485-Q1489 PolarHBondContact OD1-N 3.38Å; Q1489-L1491 PolarHBondContact O-N 2.89Å | ||
| 1490 | T | 89.6 | Confident | 80.8 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116.2 | 174 | -45.5 | 0 | 0 | 0 | 0 | 111.6 | K1194 N1482 A1492 | K1194-T1490 WeakPolarHBondContact CE-O 3.43Å; K1194-T1490 PolarHBondContact NZ-O 2.9Å; N1482-T1490 HydrophobicContact CB-CG2 4.26Å; T1490-A1492 WeakPolarHBondContact CG2-O 3.31Å |
| 1491 | L | 90.7 | Very high | 79.1 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -50.6 | 174.2 | -58.1 | -179.9 | 0 | 0 | 0 | 110.3 | W1188 L1191 K1194 M1471 V1483 N1485 Q1489 | W1188-L1491 HydrophobicContact CH2-CD1 4.42Å; W1188-L1491 HydrophobicContact CZ3-CD1 4.17Å; L1191-L1491 HydrophobicContact CD2-CD1 4.32Å; L1191-L1491 HydrophobicContact CG-CB 4.39Å; K1194-L1491 WeakPolarHBondContact CE-O 3.41Å; M1471-L1491 HydrophobicContact CB-CD1 4.48Å; V1483-L1491 PolarHBondContact O-N 3.16Å; N1485-L1491 HydrophobicContact CB-CD1 4.26Å; N1485-L1491 HydrophobicContact CB-CD2 4.36Å; N1485-L1491 HydrophobicContact CB-CG 4.38Å; Q1489-L1491 PolarHBondContact O-N 2.89Å |
| 1492 | A | 90 | Very high | 77.2 | Confident | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1191 Y1198 V1483 T1490 | L1191-A1492 HydrophobicContact CD1-CB 3.99Å; Y1198-A1492 HydrophobicContact CD2-CB 3.69Å; Y1198-A1492 HydrophobicContact CE2-CB 3.97Å; V1483-A1492 HydrophobicContact CB-CB 4.35Å; V1483-A1492 PolarHBondContact N-O 2.99Å; V1483-A1492 PolarHBondContact O-N 3.21Å; T1490-A1492 WeakPolarHBondContact CG2-O 3.31Å |
| 1493 | S | 88.8 | Confident | 75.2 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 43% | 0.434 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.5 | 176.4 | -168 | 0 | 0 | 0 | 0 | 109.9 | Q1480 N1482 | Q1480-S1493 PolarHBondContact NE2-OG 3.15Å; N1482-S1493 WeakPolarHBondContact OD1-CB 3.21Å; N1482-S1493 PolarHBondContact OD1-OG 2.83Å |
| 1494 | I | 88.5 | Confident | 73.3 | Confident | 9 Ų | 9 | 85.3 Ų | 85.3 | 5% | 0.046 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | -177.1 | -51.4 | 173.5 | 0 | 0 | 0 | 106.8 | Y1198 V1481 H1496 L1520 Y1532 | Y1198-I1494 HydrophobicContact CD1-CD1 4.13Å; Y1198-I1494 HydrophobicContact CD2-CD1 3.98Å; Y1198-I1494 HydrophobicContact CD2-CG1 4.26Å; Y1198-I1494 HydrophobicContact CG-CD1 3.72Å; Y1198-I1494 HydrophobicContact CG-CG1 4.18Å; V1481-I1494 PolarHBondContact N-O 3.48Å; V1481-I1494 PolarHBondContact O-N 2.96Å; I1494-H1496 WeakPolarHBondContact CG2-CE1 3.38Å; I1494-H1496 WeakPolarHBondContact CG2-ND1 3.22Å; I1494-L1520 HydrophobicContact CD1-CD2 3.77Å; I1494-Y1532 HydrophobicContact CD1-CD1 4.44Å; I1494-Y1532 HydrophobicContact CD1-CG 4.25Å; I1494-Y1532 HydrophobicContact CG2-CD1 3.76Å; I1494-Y1532 HydrophobicContact CG2-CE1 3.44Å; I1494-Y1532 VanDerWaalsContact CG2-CE1 3.44Å; I1494-Y1532 HydrophobicContact CG2-CE2 4.24Å; I1494-Y1532 HydrophobicContact CG2-CG 4.28Å |
| 1495 | R | 79.8 | Confident | 71.6 | Confident | 185 Ų | 185 | 87 Ų | 87 | 70% | 0.698 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.7 | 167.5 | -87.1 | -175.4 | -80.4 | 173.2 | -4.8 | 107.5 | Q1480 H1497 | Q1480-R1495 HydrophobicContact CB-CG 4.49Å; Q1480-R1495 HydrophobicContact CG-CG 4.21Å; R1495-H1497 PolarHBondContact O-N 3.36Å; R1495-H1497 VanDerWaalsContact O-N 3.16Å |
| 1496 | H | 69 | Low | 70.4 | Confident | 21 Ų | 21 | 86.7 Ų | 86.7 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | trans | -77.9 | 6.2 | -178.1 | -37.6 | -59.9 | 0 | 0 | 0 | 112.5 | V1481 I1494 E1498 I1522 Y1532 | V1481-H1496 WeakPolarHBondContact CG2-NE2 3.48Å; I1494-H1496 WeakPolarHBondContact CG2-CE1 3.38Å; I1494-H1496 WeakPolarHBondContact CG2-ND1 3.22Å; H1496-E1498 PolarHBondContact O-N 3.29Å; H1496-I1522 WeakPolarHBondContact CE1-CD1 3.42Å; H1496-Y1532 AromaticContact ND1-CE2 3.76Å; H1496-Y1532 AromaticContact ND1-CZ 3.59Å; H1496-Y1532 PolarHBondContact ND1-OH 3.18Å; H1496-Y1532 VanDerWaalsContact ND1-OH 3.17Å | ||
| 1497 | H | 56.4 | Low | 70 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | trans | -77.4 | 103.7 | 175.7 | -70.9 | -53.3 | 0 | 0 | 0 | 111.1 | S1479 R1495 | S1479-H1497 WeakPolarHBondContact CB-NE2 3.32Å; R1495-H1497 PolarHBondContact O-N 3.36Å; R1495-H1497 VanDerWaalsContact O-N 3.16Å | ||
| 1498 | E | 49.4 | Very low | 69.9 | Low | 194 Ų | 194 | 86.7 Ų | 86.7 | 91% | 0.907 | 46% | 0.458 | S | S | * | . | -176.7 | 83.8 | 129 | -100.7 | 174.9 | -168.1 | 0 | 0 | 110.5 | H1496 | H1496-E1498 PolarHBondContact O-N 3.29Š| |||
| 1499 | S | 48 | Very low | 70.1 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | trans | -85.3 | 131 | 154.7 | 66.6 | 0 | 0 | 0 | 0 | 108.1 | V1501 G1502 | S1499-V1501 PolarHBondContact O-N 2.81Å; S1499-G1502 PolarHBondContact O-N 3.08Å | ||
| 1500 | F | 51.3 | Low | 70.2 | Confident | 216 Ų | 216 | 82.5 Ų | 82.5 | 95% | 0.947 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 0.4 | -173.1 | -160.2 | -97.1 | 0 | 0 | 0 | 114.6 | ||
| 1501 | V | 48.9 | Very low | 70.4 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 73% | 0.727 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 5.3 | -169.1 | -168 | 0 | 0 | 0 | 0 | 114.2 | S1499 Q1503 | S1499-V1501 PolarHBondContact O-N 2.81Å; V1501-Q1503 VanDerWaalsContact C-N 3.26Å; V1501-Q1503 PolarHBondContact O-N 3.3Å |
| 1502 | G | 50.3 | Low | 70.6 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 76% | 0.763 | 42% | 0.423 | S | S | * | . | trans | 66.9 | 18.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116 | S1499 | S1499-G1502 PolarHBondContact O-N 3.08Š| ||
| 1503 | Q | 49.3 | Very low | 70.9 | Confident | 156 Ų | 156 | 79.8 Ų | 79.8 | 73% | 0.729 | 42% | 0.418 | S | S | * | . | trans | -75 | 130.6 | 164 | -83.6 | -175.8 | -28.3 | 0 | 0 | 109.1 | V1501 T1505 | V1501-Q1503 VanDerWaalsContact C-N 3.26Å; V1501-Q1503 PolarHBondContact O-N 3.3Å; Q1503-T1505 PolarHBondContact O-N 3.47Å | ||
| 1504 | K | 52.7 | Low | 71.1 | Confident | 208 Ų | 208 | 77 Ų | 77 | 90% | 0.904 | 40% | 0.398 | S | S | * | . | trans | -54.5 | 112.7 | 169.9 | -77.8 | -176.2 | 172.5 | -173.5 | 0 | 108.1 | ||||
| 1505 | T | 57.6 | Low | 71.2 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 150 | 170 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | Q1503 | Q1503-T1505 PolarHBondContact O-N 3.47Š|
| 1506 | G | 64.8 | Low | 71.5 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 152.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1525 | G1506-S1525 WeakPolarHBondContact CA-OG 3.43Š|
| 1507 | D | 80.8 | Confident | 72.5 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 146.1 | 168.9 | -64.5 | -38.5 | 0 | 0 | 0 | 110.8 | S1509 S1525 | D1507-S1509 PolarHBondContact O-N 3.17Å; D1507-S1525 PolarHBondContact N-OG 3.03Å; D1507-S1525 WeakPolarHBondContact O-CB 3.44Å; D1507-S1525 PolarHBondContact O-N 2.95Å; D1507-S1525 PolarHBondContact O-OG 2.95Å |
| 1508 | L | 87.9 | Confident | 74.1 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 122.6 | -179.1 | -156.9 | 130 | 0 | 0 | 0 | 111.5 | A1462 G1478 V1481 L1511 I1522 | A1462-L1508 HydrophobicContact CB-CD2 3.38Å; G1478-L1508 PolarHBondContact O-N 3.22Å; V1481-L1508 HydrophobicContact CG2-CD1 3.27Å; L1508-L1511 HydrophobicContact CD2-CB 4.24Å; L1508-I1522 HydrophobicContact CD1-CG2 3.77Å; L1508-I1522 HydrophobicContact CG-CG2 4.25Å |
| 1509 | S | 89.2 | Confident | 76.2 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -37.7 | -176.2 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | P1210 D1507 G1523 E1524 | P1210-S1509 WeakPolarHBondContact O-CB 3.24Å; P1210-S1509 PolarHBondContact O-OG 3.49Å; D1507-S1509 PolarHBondContact O-N 3.17Å; S1509-G1523 PolarHBondContact N-O 3.13Å; S1509-G1523 PolarHBondContact OG-O 3.06Å; S1509-G1523 VanDerWaalsContact OG-O 3.1Å; S1509-E1524 PolarHBondContact OG-N 2.86Å |
| 1510 | C | 91.4 | Very high | 78.4 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 157.9 | 177.1 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | P1210 R1211 G1523 | P1210-C1510 PolarHBondContact O-SG 2.86Å; P1210-C1510 VanDerWaalsContact O-SG 3.38Å; R1211-C1510 VanDerWaalsContact O-CB 3.31Å; R1211-C1510 WeakPolarHBondContact O-CB 3.45Å; C1510-G1523 PolarHBondContact N-O 2.79Å; C1510-G1523 PolarHBondContact O-N 2.92Å |
| 1511 | L | 93.6 | Very high | 80.5 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 130.8 | -177.3 | -169.7 | 66.5 | 0 | 0 | 0 | 108.3 | A1462 D1464 A1473 V1481 L1508 L1520 I1522 | A1462-L1511 HydrophobicContact CB-CB 3.93Å; D1464-L1511 HydrophobicContact CB-CG 4.37Å; A1473-L1511 HydrophobicContact CB-CD2 3.65Å; A1473-L1511 HydrophobicContact CB-CG 4.24Å; A1473-L1511 VanDerWaalsContact O-CD2 3.22Å; A1473-L1511 WeakPolarHBondContact O-CD2 3.35Å; V1481-L1511 HydrophobicContact CG1-CD1 4.11Å; V1481-L1511 HydrophobicContact CG1-CD2 4.37Å; V1481-L1511 HydrophobicContact CG2-CD1 4.21Å; L1508-L1511 HydrophobicContact CD2-CB 4.24Å; L1511-L1520 HydrophobicContact CD1-CD1 3.83Å; L1511-L1520 HydrophobicContact CD1-CD2 4.05Å; L1511-L1520 HydrophobicContact CD1-CG 4.05Å; L1511-L1520 HydrophobicContact CG-CD1 4.15Å; L1511-I1522 HydrophobicContact CD1-CD1 4.38Å; L1511-I1522 HydrophobicContact CD1-CG1 3.52Å |
| 1512 | T | 95.6 | Very high | 82.6 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.4 | 176.6 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | L1213 F1215 D1464 G1521 | L1213-T1512 HydrophobicContact CB-CG2 3.44Å; L1213-T1512 VanDerWaalsContact CB-CG2 3.44Å; L1213-T1512 WeakPolarHBondContact O-CG2 3.41Å; F1215-T1512 HydrophobicContact CD2-CG2 3.82Å; F1215-T1512 HydrophobicContact CE2-CG2 3.63Å; D1464-T1512 VanDerWaalsContact OD2-CA 3.26Å; D1464-T1512 WeakPolarHBondContact OD2-CA 3.5Å; T1512-G1521 PolarHBondContact N-O 3.5Å; T1512-G1521 PolarHBondContact O-N 3.42Å |
| 1513 | F | 95.6 | Very high | 84.5 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.022 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 149.8 | 166.9 | -77.6 | -71.8 | 0 | 0 | 0 | 111.9 | D1464 H1466 M1471 A1473 V1483 L1520 | D1464-F1513 HydrophobicContact CB-CD2 4.18Å; D1464-F1513 WeakPolarHBondContact O-CE2 3.25Å; D1464-F1513 PolarHBondContact OD2-N 3.23Å; H1466-F1513 HydrophobicContact CB-CD2 4.02Å; H1466-F1513 HydrophobicContact CB-CE2 4.26Å; H1466-F1513 HydrophobicContact CB-CG 4.15Å; M1471-F1513 HydrophobicContact CG-CZ 4.38Å; M1471-F1513 HydrophobicContact SD-CD1 4.45Å; M1471-F1513 HydrophobicContact SD-CE1 3.66Å; M1471-F1513 HydrophobicContact SD-CZ 3.72Å; A1473-F1513 HydrophobicContact CB-CE1 4.3Å; A1473-F1513 HydrophobicContact CB-CE2 3.58Å; A1473-F1513 HydrophobicContact CB-CZ 3.42Å; A1473-F1513 VanDerWaalsContact CB-CZ 3.42Å; V1483-F1513 HydrophobicContact CG1-CZ 4.42Å; F1513-L1520 HydrophobicContact CD1-CB 4.48Å; F1513-L1520 HydrophobicContact CD1-CD1 3.73Å; F1513-L1520 HydrophobicContact CD2-CD1 4.38Å; F1513-L1520 HydrophobicContact CE1-CD1 3.74Å; F1513-L1520 HydrophobicContact CE2-CD1 4.4Å; F1513-L1520 HydrophobicContact CG-CD1 4.08Å; F1513-L1520 HydrophobicContact CZ-CD1 4.11Å |
| 1514 | H | 94 | Very high | 86.4 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | trans | -64.7 | 137.2 | 161 | -174.3 | -80.7 | 0 | 0 | 0 | 109.3 | F1215 F1216 P1217 H1466 M1516 Q1517 T1519 | F1215-H1514 HydrophobicContact CB-CB 4.34Å; F1215-H1514 AromaticContact CD1-CD2 3.94Å; F1215-H1514 HydrophobicContact CD2-CB 4.07Å; F1215-H1514 HydrophobicContact CG-CB 4.14Å; F1215-H1514 AromaticContact CG-CD2 3.77Å; F1216-H1514 PolarHBondContact O-NE2 3.14Å; F1216-H1514 VanDerWaalsContact O-NE2 3.09Å; P1217-H1514 PolarHBondContact O-CE1 3.22Å; H1466-H1514 PolarHBondContact NE2-O 3.11Å; H1514-M1516 PolarHBondContact ND1-N 2.82Å; H1514-M1516 VanDerWaalsContact ND1-N 3.13Å; H1514-M1516 PolarHBondContact O-N 2.92Å; H1514-Q1517 HydrophobicContact CB-CB 3.99Å; H1514-Q1517 WeakPolarHBondContact ND1-CB 3.47Å; H1514-Q1517 WeakPolarHBondContact ND1-CG 3.5Å; H1514-Q1517 PolarHBondContact ND1-N 3.4Å; H1514-T1519 HydrophobicContact CB-CG2 4.5Å; H1514-T1519 PolarHBondContact N-O 3.02Å | ||
| 1515 | P | 89.3 | Confident | 88 | Confident | 26 Ų | 26 | 18.2 Ų | 18.2 | 17% | 0.169 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.7 | -171.8 | 23.4 | -33.6 | 0 | 0 | 0 | 113.9 | P1217 | P1217-P1515 HydrophobicContact CB-CG 3.89Å; P1217-P1515 HydrophobicContact CG-CG 3.9Å |
| 1516 | M | 86.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130 | 17.9 | -174.5 | -57.8 | 177.9 | 67.6 | 0 | 0 | 113.1 | M14 L16 L1177 T1180 I1181 C1184 P1217 F1267 H1514 | M14-M1516 HydrophobicContact SD-CE 4.1Å; M14-M1516 HydrophobicContact SD-CG 4.49Å; L16-M1516 HydrophobicContact CD1-CE 3.86Å; L16-M1516 HydrophobicContact CD1-SD 3.83Å; L1177-M1516 HydrophobicContact CD2-CE 4.12Å; L1177-M1516 HydrophobicContact CD2-SD 4.06Å; T1180-M1516 HydrophobicContact CG2-CB 4.46Å; I1181-M1516 HydrophobicContact CB-CE 4.47Å; I1181-M1516 HydrophobicContact CD1-CE 3.59Å; I1181-M1516 HydrophobicContact CG1-CE 3.1Å; C1184-M1516 WeakPolarHBondContact CB-O 3.5Å; C1184-M1516 VanDerWaalsContact SG-C 3.52Å; C1184-M1516 PolarHBondContact SG-O 2.89Å; P1217-M1516 HydrophobicContact CB-CG 4.41Å; P1217-M1516 HydrophobicContact CB-SD 3.78Å; F1267-M1516 HydrophobicContact CE1-SD 4.19Å; F1267-M1516 HydrophobicContact CZ-SD 4.46Å; H1514-M1516 PolarHBondContact ND1-N 2.82Å; H1514-M1516 VanDerWaalsContact ND1-N 3.13Å; H1514-M1516 PolarHBondContact O-N 2.92Å |
| 1517 | Q | 89 | Confident | 90.5 | Very high | 25 Ų | 25 | 18.8 Ų | 18.8 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -148 | 157.5 | 178.1 | -65.1 | 177.8 | -3.6 | 0 | 0 | 108.3 | T1180 H1466 H1514 T1519 | T1180-Q1517 HydrophobicContact CG2-CG 4.15Å; H1466-Q1517 PolarHBondContact NE2-O 3.1Å; H1514-Q1517 HydrophobicContact CB-CB 3.99Å; H1514-Q1517 WeakPolarHBondContact ND1-CB 3.47Å; H1514-Q1517 WeakPolarHBondContact ND1-CG 3.5Å; H1514-Q1517 PolarHBondContact ND1-N 3.4Å; Q1517-T1519 PolarHBondContact O-N 3.39Å; Q1517-T1519 VanDerWaalsContact O-N 3.14Å; Q1517-T1519 PolarHBondContact OE1-OG1 3.16Å |
| 1518 | V | 90.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -77.1 | 7.4 | 173.4 | -66 | 0 | 0 | 0 | 0 | 113.5 | Q1187 Y1198 L1469 M1471 L1534 | Q1187-V1518 HydrophobicContact CB-CG2 3.4Å; Q1187-V1518 VanDerWaalsContact CB-CG2 3.4Å; Q1187-V1518 HydrophobicContact CG-CG2 4.23Å; Y1198-V1518 WeakPolarHBondContact CE1-O 3.46Å; Y1198-V1518 PolarHBondContact OH-O 3.29Å; L1469-V1518 HydrophobicContact CD1-CG1 3.6Å; M1471-V1518 HydrophobicContact CE-CB 4.37Å; M1471-V1518 HydrophobicContact CE-CG1 3.56Å; M1471-V1518 HydrophobicContact SD-CG1 4.37Å; V1518-L1534 HydrophobicContact CG2-CD1 3.65Å; V1518-L1534 HydrophobicContact CG2-CG 4.09Å |
| 1519 | T | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -58.8 | 139.9 | 172.3 | -57.5 | 0 | 0 | 0 | 0 | 111 | F1215 H1514 Q1517 V1531 Y1532 S1533 | F1215-T1519 HydrophobicContact CE1-CG2 4.4Å; F1215-T1519 HydrophobicContact CZ-CG2 4.28Å; H1514-T1519 HydrophobicContact CB-CG2 4.5Å; H1514-T1519 PolarHBondContact N-O 3.02Å; Q1517-T1519 PolarHBondContact O-N 3.39Å; Q1517-T1519 VanDerWaalsContact O-N 3.14Å; Q1517-T1519 PolarHBondContact OE1-OG1 3.16Å; T1519-V1531 HydrophobicContact CG2-CG1 3.47Å; T1519-V1531 VanDerWaalsContact CG2-CG1 3.47Å; T1519-Y1532 CarbonylContact C-O 3.52Å; T1519-Y1532 WeakPolarHBondContact CA-O 3.31Å; T1519-Y1532 WeakPolarHBondContact CG2-O 3.21Å; T1519-S1533 PolarHBondContact OG1-OG 3.49Å | ||
| 1520 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.2 | -173.8 | -176.3 | 73.6 | 0 | 0 | 0 | 111 | Y1198 A1473 V1481 V1483 I1494 L1511 F1513 I1522 Y1532 | Y1198-L1520 HydrophobicContact CE1-CB 4.33Å; A1473-L1520 HydrophobicContact CB-CD1 3.82Å; A1473-L1520 HydrophobicContact CB-CD2 4.25Å; V1481-L1520 HydrophobicContact CG1-CD2 3.99Å; V1483-L1520 HydrophobicContact CG2-CD2 4.47Å; I1494-L1520 HydrophobicContact CD1-CD2 3.77Å; L1511-L1520 HydrophobicContact CD1-CD1 3.83Å; L1511-L1520 HydrophobicContact CD1-CD2 4.05Å; L1511-L1520 HydrophobicContact CD1-CG 4.05Å; L1511-L1520 HydrophobicContact CG-CD1 4.15Å; F1513-L1520 HydrophobicContact CD1-CB 4.48Å; F1513-L1520 HydrophobicContact CD1-CD1 3.73Å; F1513-L1520 HydrophobicContact CD2-CD1 4.38Å; F1513-L1520 HydrophobicContact CE1-CD1 3.74Å; F1513-L1520 HydrophobicContact CE2-CD1 4.4Å; F1513-L1520 HydrophobicContact CG-CD1 4.08Å; F1513-L1520 HydrophobicContact CZ-CD1 4.11Å; L1520-I1522 HydrophobicContact CD2-CD1 3.99Å; L1520-I1522 HydrophobicContact CD2-CG1 4.32Å; L1520-I1522 HydrophobicContact CG-CD1 4.47Å; L1520-I1522 HydrophobicContact CG-CG1 4.39Å; L1520-Y1532 PolarHBondContact N-O 3.14Å; L1520-Y1532 PolarHBondContact O-N 2.94Å |
| 1521 | G | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1512 T1530 | T1512-G1521 PolarHBondContact N-O 3.5Å; T1512-G1521 PolarHBondContact O-N 3.42Å; G1521-T1530 CarbonylContact C-O 3.52Å; G1521-T1530 WeakPolarHBondContact CA-O 3.45Å |
| 1522 | I | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.5 | 179.9 | -70.9 | 157.2 | 0 | 0 | 0 | 108.8 | V1481 H1496 L1508 L1511 L1520 E1524 F1529 T1530 Y1532 | V1481-I1522 HydrophobicContact CG2-CD1 4.26Å; H1496-I1522 WeakPolarHBondContact CE1-CD1 3.42Å; L1508-I1522 HydrophobicContact CD1-CG2 3.77Å; L1508-I1522 HydrophobicContact CG-CG2 4.25Å; L1511-I1522 HydrophobicContact CD1-CD1 4.38Å; L1511-I1522 HydrophobicContact CD1-CG1 3.52Å; L1520-I1522 HydrophobicContact CD2-CD1 3.99Å; L1520-I1522 HydrophobicContact CD2-CG1 4.32Å; L1520-I1522 HydrophobicContact CG-CD1 4.47Å; L1520-I1522 HydrophobicContact CG-CG1 4.39Å; I1522-E1524 HydrophobicContact CG2-CG 4.35Å; I1522-F1529 CarbonylContact O-C 3.58Å; I1522-F1529 WeakPolarHBondContact O-CA 3.36Å; I1522-F1529 WeakPolarHBondContact O-CB 3.4Å; I1522-T1530 PolarHBondContact N-O 3.02Å; I1522-T1530 PolarHBondContact O-N 3.45Å; I1522-Y1532 HydrophobicContact CB-CE2 4.39Å; I1522-Y1532 HydrophobicContact CD1-CD2 3.49Å; I1522-Y1532 VanDerWaalsContact CD1-CD2 3.49Å; I1522-Y1532 HydrophobicContact CD1-CE2 3.45Å; I1522-Y1532 VanDerWaalsContact CD1-CE2 3.45Å; I1522-Y1532 HydrophobicContact CD1-CG 4.5Å; I1522-Y1532 HydrophobicContact CG1-CD2 4.41Å; I1522-Y1532 HydrophobicContact CG1-CE2 4.42Å |
| 1523 | G | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 144 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1509 C1510 | S1509-G1523 PolarHBondContact N-O 3.13Å; S1509-G1523 PolarHBondContact OG-O 3.06Å; S1509-G1523 VanDerWaalsContact OG-O 3.1Å; C1510-G1523 PolarHBondContact N-O 2.79Å; C1510-G1523 PolarHBondContact O-N 2.92Å |
| 1524 | E | 88.5 | Confident | 90.8 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149 | -176.7 | -65.7 | 175.9 | -142.3 | 0 | 0 | 111 | P1210 S1509 I1522 D1526 C1527 M1528 | P1210-E1524 WeakPolarHBondContact CD-O 3.37Å; S1509-E1524 PolarHBondContact OG-N 2.86Å; I1522-E1524 HydrophobicContact CG2-CG 4.35Å; E1524-D1526 WeakPolarHBondContact CB-OD1 3.28Å; E1524-D1526 PolarHBondContact O-N 3.31Å; E1524-D1526 VanDerWaalsContact O-N 3.14Å; E1524-C1527 PolarHBondContact O-N 3.41Å; E1524-M1528 HydrophobicContact CB-CB 4.46Å; E1524-M1528 PolarHBondContact N-O 3.08Å |
| 1525 | S | 86.9 | Confident | 90 | Very high | 45 Ų | 45 | 16 Ų | 16 | 32% | 0.315 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4 | 179.2 | 54 | 0 | 0 | 0 | 0 | 114.9 | I1209 G1506 D1507 C1527 | I1209-S1525 WeakPolarHBondContact CG1-O 3.4Å; G1506-S1525 WeakPolarHBondContact CA-OG 3.43Å; D1507-S1525 PolarHBondContact N-OG 3.03Å; D1507-S1525 WeakPolarHBondContact O-CB 3.44Å; D1507-S1525 PolarHBondContact O-N 2.95Å; D1507-S1525 PolarHBondContact O-OG 2.95Å; S1525-C1527 PolarHBondContact O-N 3.1Å |
| 1526 | D | 84.9 | Confident | 89.3 | Confident | 42 Ų | 42 | 17.3 Ų | 17.3 | 23% | 0.225 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 13.8 | 172.8 | 71.8 | -14 | 0 | 0 | 0 | 113.6 | R1205 E1524 M1528 | R1205-D1526 VanDerWaalsContact CZ-O 3.29Å; R1205-D1526 PolarHBondContact NH1-O 2.83Å; R1205-D1526 PolarHBondContact NH2-O 2.99Å; R1205-D1526 VanDerWaalsContact NH2-O 3.08Å; E1524-D1526 WeakPolarHBondContact CB-OD1 3.28Å; E1524-D1526 PolarHBondContact O-N 3.31Å; E1524-D1526 VanDerWaalsContact O-N 3.14Å; D1526-M1528 VanDerWaalsContact C-N 3.32Å; D1526-M1528 VanDerWaalsContact OD1-CB 3.24Å; D1526-M1528 WeakPolarHBondContact OD1-CB 3.32Å; D1526-M1528 VanDerWaalsContact OD1-CG 3.23Å; D1526-M1528 WeakPolarHBondContact OD1-CG 3.21Å; D1526-M1528 PolarHBondContact OD1-N 3.35Å; D1526-M1528 WeakPolarHBondContact OD2-CG 3.38Å |
| 1527 | C | 89 | Confident | 88 | Confident | 24 Ų | 24 | 21.5 Ų | 21.5 | 16% | 0.162 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 70.1 | 19.2 | -175.9 | -48.5 | 0 | 0 | 0 | 0 | 114.4 | N1206 N1208 E1524 S1525 | N1206-C1527 PolarHBondContact N-O 3.05Å; N1206-C1527 WeakPolarHBondContact O-CB 3.28Å; N1208-C1527 VanDerWaalsContact C-SG 3.51Å; E1524-C1527 PolarHBondContact O-N 3.41Å; S1525-C1527 PolarHBondContact O-N 3.1Å |
| 1528 | M | 89.8 | Confident | 86.5 | Confident | 33 Ų | 33 | 24.4 Ų | 24.4 | 16% | 0.163 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 151.6 | 174.1 | -57.3 | -64.2 | -62.2 | 0 | 0 | 111.4 | T1203 C1204 R1205 P1210 E1524 D1526 | T1203-M1528 HydrophobicContact CG2-CE 3.36Å; C1204-M1528 CarbonylContact O-C 3.56Å; C1204-M1528 WeakPolarHBondContact O-CA 3.33Å; C1204-M1528 WeakPolarHBondContact O-CE 3.45Å; R1205-M1528 VanDerWaalsContact CA-SD 3.52Å; R1205-M1528 HydrophobicContact CB-CE 4.05Å; R1205-M1528 HydrophobicContact CB-SD 3.33Å; R1205-M1528 WeakPolarHBondContact CB-SD 3.48Å; R1205-M1528 HydrophobicContact CG-SD 3.45Å; R1205-M1528 WeakPolarHBondContact CG-SD 3.29Å; R1205-M1528 PolarHBondContact NH1-SD 3.05Å; P1210-M1528 VanDerWaalsContact CG-O 3.27Å; P1210-M1528 WeakPolarHBondContact CG-O 3.3Å; E1524-M1528 HydrophobicContact CB-CB 4.46Å; E1524-M1528 PolarHBondContact N-O 3.08Å; D1526-M1528 VanDerWaalsContact C-N 3.32Å; D1526-M1528 VanDerWaalsContact OD1-CB 3.24Å; D1526-M1528 WeakPolarHBondContact OD1-CB 3.32Å; D1526-M1528 VanDerWaalsContact OD1-CG 3.23Å; D1526-M1528 WeakPolarHBondContact OD1-CG 3.21Å; D1526-M1528 PolarHBondContact OD1-N 3.35Å; D1526-M1528 WeakPolarHBondContact OD2-CG 3.38Å |
| 1529 | F | 92.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.9 | 157.8 | 77.9 | -87.3 | 0 | 0 | 0 | 110.8 | F1202 T1203 C1204 N1206 P1210 L1213 V1222 A1224 W1233 I1522 V1531 | F1202-F1529 AromaticContact CD1-CE2 3.99Å; F1202-F1529 HydrophobicContact CD1-CE2 3.99Å; F1202-F1529 HydrophobicContact CD1-CZ 4.39Å; F1202-F1529 AromaticContact CE1-CE2 3.63Å; F1202-F1529 HydrophobicContact CE1-CE2 3.63Å; F1202-F1529 AromaticContact CE1-CZ 3.58Å; F1202-F1529 HydrophobicContact CE1-CZ 3.58Å; F1202-F1529 HydrophobicContact CZ-CZ 4.42Å; T1203-F1529 WeakPolarHBondContact CA-O 3.48Å; C1204-F1529 HydrophobicContact CB-CD1 4.25Å; C1204-F1529 HydrophobicContact CB-CE1 3.7Å; C1204-F1529 HydrophobicContact CB-CZ 3.94Å; C1204-F1529 PolarHBondContact N-O 3.01Å; C1204-F1529 PolarHBondContact O-N 3.39Å; N1206-F1529 WeakPolarHBondContact ND2-CD1 3.42Å; P1210-F1529 HydrophobicContact CG-CB 4.27Å; L1213-F1529 HydrophobicContact CD1-CB 4.12Å; L1213-F1529 HydrophobicContact CD2-CB 4.05Å; L1213-F1529 HydrophobicContact CD2-CD2 4.1Å; L1213-F1529 HydrophobicContact CD2-CG 4Å; V1222-F1529 HydrophobicContact CG1-CE2 3.73Å; V1222-F1529 HydrophobicContact CG1-CZ 4.09Å; A1224-F1529 HydrophobicContact CB-CD1 4.23Å; A1224-F1529 HydrophobicContact CB-CE1 4.05Å; A1224-F1529 HydrophobicContact CB-CZ 4.47Å; W1233-F1529 HydrophobicContact CB-CZ 4.33Å; W1233-F1529 AromaticContact CD1-CZ 3.8Å; W1233-F1529 HydrophobicContact CD2-CZ 4.46Å; W1233-F1529 HydrophobicContact CG-CE1 4.45Å; W1233-F1529 AromaticContact CG-CZ 3.95Å; W1233-F1529 HydrophobicContact CG-CZ 3.95Å; W1233-F1529 AromaticContact NE1-CE1 3.96Å; I1522-F1529 CarbonylContact O-C 3.58Å; I1522-F1529 WeakPolarHBondContact O-CA 3.36Å; I1522-F1529 WeakPolarHBondContact O-CB 3.4Å; F1529-V1531 HydrophobicContact CD2-CG2 4.49Å; F1529-V1531 HydrophobicContact CE2-CG2 4.35Å |
| 1530 | T | 92.3 | Very high | 84.2 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 136.9 | -176.6 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | N1200 F1202 T1203 G1521 I1522 Y1532 | N1200-T1530 HydrophobicContact CB-CG2 4.42Å; N1200-T1530 VanDerWaalsContact CG-CG2 3.5Å; N1200-T1530 WeakPolarHBondContact ND2-CG2 3.47Å; N1200-T1530 WeakPolarHBondContact OD1-CG2 3.35Å; F1202-T1530 CarbonylContact O-C 3.56Å; F1202-T1530 VanDerWaalsContact O-CA 3.25Å; F1202-T1530 WeakPolarHBondContact O-CA 3.37Å; T1203-T1530 VanDerWaalsContact OG1-CG2 3.26Å; T1203-T1530 WeakPolarHBondContact OG1-CG2 3.42Å; T1203-T1530 PolarHBondContact OG1-OG1 2.9Å; T1203-T1530 VanDerWaalsContact OG1-OG1 3.07Å; G1521-T1530 CarbonylContact C-O 3.52Å; G1521-T1530 WeakPolarHBondContact CA-O 3.45Å; I1522-T1530 PolarHBondContact N-O 3.02Å; I1522-T1530 PolarHBondContact O-N 3.45Å; T1530-Y1532 HydrophobicContact CG2-CD2 3.83Å; T1530-Y1532 HydrophobicContact CG2-CE1 4.45Å; T1530-Y1532 HydrophobicContact CG2-CE2 3.31Å |
| 1531 | V | 93.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.9 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | F1201 F1202 F1215 W1235 T1519 F1529 | F1201-V1531 PolarHBondContact N-O 3.13Å; F1202-V1531 HydrophobicContact CB-CB 4.25Å; F1202-V1531 HydrophobicContact CD1-CG2 4.1Å; F1202-V1531 PolarHBondContact N-O 3.22Å; F1202-V1531 PolarHBondContact O-N 3.16Å; F1215-V1531 HydrophobicContact CE1-CG1 4Å; F1215-V1531 HydrophobicContact CE1-CG2 4.02Å; F1215-V1531 HydrophobicContact CZ-CG1 3.97Å; F1215-V1531 HydrophobicContact CZ-CG2 4.01Å; W1235-V1531 HydrophobicContact CB-CG2 4.31Å; W1235-V1531 HydrophobicContact CD2-CG1 4.42Å; W1235-V1531 HydrophobicContact CE3-CG1 4.34Å; T1519-V1531 HydrophobicContact CG2-CG1 3.47Å; T1519-V1531 VanDerWaalsContact CG2-CG1 3.47Å; F1529-V1531 HydrophobicContact CD2-CG2 4.49Å; F1529-V1531 HydrophobicContact CE2-CG2 4.35Å |
| 1532 | Y | 92.5 | Very high | 83 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.9 | 175.9 | -68 | -96 | 0 | 0 | 0 | 110 | N1199 N1200 I1494 H1496 T1519 L1520 I1522 T1530 | N1199-Y1532 CarbonylContact O-C 3.52Å; N1199-Y1532 WeakPolarHBondContact O-CA 3.42Å; N1200-Y1532 HydrophobicContact CB-CD1 4.26Å; N1200-Y1532 HydrophobicContact CB-CE1 3.96Å; I1494-Y1532 HydrophobicContact CD1-CD1 4.44Å; I1494-Y1532 HydrophobicContact CD1-CG 4.25Å; I1494-Y1532 HydrophobicContact CG2-CD1 3.76Å; I1494-Y1532 HydrophobicContact CG2-CE1 3.44Å; I1494-Y1532 VanDerWaalsContact CG2-CE1 3.44Å; I1494-Y1532 HydrophobicContact CG2-CE2 4.24Å; I1494-Y1532 HydrophobicContact CG2-CG 4.28Å; H1496-Y1532 AromaticContact ND1-CE2 3.76Å; H1496-Y1532 AromaticContact ND1-CZ 3.59Å; H1496-Y1532 PolarHBondContact ND1-OH 3.18Å; H1496-Y1532 VanDerWaalsContact ND1-OH 3.17Å; T1519-Y1532 CarbonylContact C-O 3.52Å; T1519-Y1532 WeakPolarHBondContact CA-O 3.31Å; T1519-Y1532 WeakPolarHBondContact CG2-O 3.21Å; L1520-Y1532 PolarHBondContact N-O 3.14Å; L1520-Y1532 PolarHBondContact O-N 2.94Å; I1522-Y1532 HydrophobicContact CB-CE2 4.39Å; I1522-Y1532 HydrophobicContact CD1-CD2 3.49Å; I1522-Y1532 VanDerWaalsContact CD1-CD2 3.49Å; I1522-Y1532 HydrophobicContact CD1-CE2 3.45Å; I1522-Y1532 VanDerWaalsContact CD1-CE2 3.45Å; I1522-Y1532 HydrophobicContact CD1-CG 4.5Å; I1522-Y1532 HydrophobicContact CG1-CD2 4.41Å; I1522-Y1532 HydrophobicContact CG1-CE2 4.42Å; T1530-Y1532 HydrophobicContact CG2-CD2 3.83Å; T1530-Y1532 HydrophobicContact CG2-CE1 4.45Å; T1530-Y1532 HydrophobicContact CG2-CE2 3.31Å |
| 1533 | S | 90.5 | Very high | 82.4 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 171.9 | 174.5 | -160.4 | 0 | 0 | 0 | 0 | 111.3 | N1199 T1519 | N1199-S1533 PolarHBondContact N-O 3.48Å; N1199-S1533 PolarHBondContact O-N 2.89Å; T1519-S1533 PolarHBondContact OG1-OG 3.49Å |
| 1534 | L | 88.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 143.7 | 174.9 | -61.2 | 179.3 | 0 | 0 | 0 | 109.9 | Q1187 L1191 Q1196 Y1198 V1518 L1536 | Q1187-L1534 HydrophobicContact CB-CD1 4.11Å; Q1187-L1534 WeakPolarHBondContact O-CD1 3.34Å; L1191-L1534 HydrophobicContact CB-CD1 4.12Å; L1191-L1534 HydrophobicContact CD1-CD2 4.2Å; Q1196-L1534 HydrophobicContact CB-CD2 4.29Å; Y1198-L1534 HydrophobicContact CD1-CD2 4.47Å; Y1198-L1534 HydrophobicContact CD2-CD2 4.47Å; Y1198-L1534 HydrophobicContact CG-CD2 4.37Å; V1518-L1534 HydrophobicContact CG2-CD1 3.65Å; V1518-L1534 HydrophobicContact CG2-CG 4.09Å; L1534-L1536 HydrophobicContact CB-CD1 4.07Å; L1534-L1536 HydrophobicContact CD1-CD1 4.18Å; L1534-L1536 PolarHBondContact O-N 3.08Å |
| 1535 | N | 78.6 | Confident | 81.4 | Confident | 94 Ų | 94 | 41.5 Ų | 41.5 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | trans | -77.6 | 66.5 | 173.3 | -88.2 | -13.1 | 0 | 0 | 0 | 110.6 | N1199 F1201 | N1199-N1535 VanDerWaalsContact ND2-CG 3.32Å; N1199-N1535 PolarHBondContact ND2-ND2 2.9Å; F1201-N1535 WeakPolarHBondContact CE2-OD1 3.49Å | ||
| 1536 | L | 73.3 | Confident | 81 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | trans | -105.6 | 141.1 | 166.4 | -77 | 150.3 | 0 | 0 | 0 | 107.4 | Q1187 A1190 L1534 A1538 | Q1187-L1536 HydrophobicContact CB-CD1 4.08Å; Q1187-L1536 HydrophobicContact CG-CD1 3.71Å; A1190-L1536 HydrophobicContact CB-CD1 3.94Å; L1534-L1536 HydrophobicContact CB-CD1 4.07Å; L1534-L1536 HydrophobicContact CD1-CD1 4.18Å; L1534-L1536 PolarHBondContact O-N 3.08Å; L1536-A1538 PolarHBondContact O-N 3.33Å; L1536-A1538 VanDerWaalsContact O-N 3.17Å | ||
| 1537 | A | 60.4 | Low | 80.7 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 77% | 0.769 | 27% | 0.271 | S | S | * | . | trans | -57.8 | 124.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | H1183 | H1183-A1537 PolarHBondContact CE1-O 2.95Š| ||
| 1538 | A | 57.6 | Low | 80 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | trans | -58.3 | 144.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1536 | L1536-A1538 PolarHBondContact O-N 3.33Å; L1536-A1538 VanDerWaalsContact O-N 3.17Å | ||
| 1539 | P | 50.8 | Low | 79.2 | Confident | 124 Ų | 124 | 43.5 Ų | 43.5 | 81% | 0.805 | 29% | 0.291 | S | S | * | . | trans | -62.6 | 0 | -178.4 | 24.3 | -32.5 | 0 | 0 | 0 | 114 | A1179 H1183 | A1179-P1539 HydrophobicContact CB-CB 4.27Å; H1183-P1539 HydrophobicContact CB-CB 4.49Å; H1183-P1539 HydrophobicContact CB-CG 4.21Å |
Retrieved 1,539 of 1,539 residues in 377.1 ms
(Link to these results)