| 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 | 40.4 | Very low | 74.5 | Confident | 231 Ų | 231 | 98.2 Ų | 98.2 | 100% | 1.138 | 54% | 0.541 | S | S | * | . | 0 | 85.1 | 0 | -70.7 | 178.3 | -176.6 | 0 | 0 | 107.6 | |||||
| 2 | A | 44.7 | Very low | 76.2 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 83% | 0.826 | 51% | 0.507 | S | S | * | . | trans | -85.7 | 134.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | N | 52 | Low | 77.4 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | trans | 74.3 | 31.8 | 171.1 | -76.7 | 3 | 0 | 0 | 0 | 120.8 | E5 | N3-E5 PolarHBondContact O-N 3.29Š| ||
| 4 | V | 59.5 | Low | 78.6 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -66 | -20.1 | 159.8 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | N6 V7 L183 | V4-N6 VanDerWaalsContact C-N 3.26Å; V4-N6 PolarHBondContact O-N 3.02Å; V4-V7 PolarHBondContact O-N 3.2Å; V4-L183 HydrophobicContact CG1-CD1 4.38Å |
| 5 | E | 66.2 | Low | 79.7 | Confident | 151 Ų | 151 | 75.4 Ų | 75.4 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -68.7 | -18.8 | -177.1 | -61.6 | -167.4 | 150.8 | 0 | 0 | 114.5 | N3 | N3-E5 PolarHBondContact O-N 3.29Š|
| 6 | N | 83 | Confident | 80.7 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -109.5 | 20.5 | -177.7 | -67.1 | -12.9 | 0 | 0 | 0 | 113.3 | V4 | V4-N6 VanDerWaalsContact C-N 3.26Å; V4-N6 PolarHBondContact O-N 3.02Å |
| 7 | V | 91.8 | Very high | 81.5 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | trans | -99.6 | 126.8 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | V4 L9 I10 L183 | V4-V7 PolarHBondContact O-N 3.2Å; V7-L9 VanDerWaalsContact CG1-O 3.28Å; V7-L9 WeakPolarHBondContact CG1-O 3.41Å; V7-I10 HydrophobicContact CG1-CG1 4.47Å; V7-L183 HydrophobicContact CB-CD1 3.7Å; V7-L183 HydrophobicContact CG1-CD1 3.75Å; V7-L183 HydrophobicContact CG1-CG 4.46Å; V7-L183 WeakPolarHBondContact O-CD1 3.47Å | ||
| 8 | D | 95 | Very high | 82.4 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | trans | -89.5 | -41.9 | 179.1 | -65.4 | -55.5 | 0 | 0 | 0 | 112.8 | L183 S186 P187 H188 A192 | D8-L183 PolarHBondContact O-N 2.99Å; D8-S186 WeakPolarHBondContact CA-OG 3.42Å; D8-S186 WeakPolarHBondContact CB-OG 3.49Å; D8-S186 PolarHBondContact OD1-OG 3.16Å; D8-P187 VanDerWaalsContact OD1-CD 3.26Å; D8-P187 WeakPolarHBondContact OD1-CD 3.32Å; D8-H188 WeakPolarHBondContact OD1-CB 3.43Å; D8-H188 IonicContact OD1-CD2 3.45Å; D8-H188 IonicContact OD1-CG 3.66Å; D8-H188 PolarHBondContact OD1-N 3.14Å; D8-H188 VanDerWaalsContact OD1-N 3.1Å; D8-H188 IonicContact OD2-CD2 3.88Å; D8-H188 PolarHBondContact OD2-CD2 2.92Å; D8-A192 HydrophobicContact CB-CB 4.29Å | ||
| 9 | L | 95.8 | Very high | 83.1 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.2 | -175.6 | 64.4 | 87.7 | 0 | 0 | 0 | 111.4 | V7 V180 A181 A192 F195 | V7-L9 VanDerWaalsContact CG1-O 3.28Å; V7-L9 WeakPolarHBondContact CG1-O 3.41Å; L9-V180 HydrophobicContact CB-CG1 4.36Å; L9-V180 HydrophobicContact CD1-CG1 4.28Å; L9-A181 CarbonylContact C-O 3.6Å; L9-A181 VanDerWaalsContact CA-O 3.26Å; L9-A181 WeakPolarHBondContact CA-O 3.26Å; L9-A192 HydrophobicContact CD2-CB 4.45Å; L9-F195 HydrophobicContact CD2-CD1 3.47Å; L9-F195 VanDerWaalsContact CD2-CD1 3.47Å; L9-F195 HydrophobicContact CD2-CE1 3.95Å; L9-F195 HydrophobicContact CD2-CG 4.36Å |
| 10 | I | 96 | Very high | 83.7 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.3 | 172.6 | -67 | 173.2 | 0 | 0 | 0 | 107.6 | V7 T12 L17 L21 V180 A181 L183 | V7-I10 HydrophobicContact CG1-CG1 4.47Å; I10-T12 HydrophobicContact CG2-CG2 4.01Å; I10-L17 HydrophobicContact CG2-CD2 4.39Å; I10-L21 HydrophobicContact CD1-CD1 3.32Å; I10-V180 VanDerWaalsContact O-CA 3.28Å; I10-V180 WeakPolarHBondContact O-CA 3.35Å; I10-A181 PolarHBondContact N-O 2.75Å; I10-A181 PolarHBondContact O-N 2.98Å; I10-L183 HydrophobicContact CD1-CD2 3.57Å; I10-L183 HydrophobicContact CD1-CG 4.2Å; I10-L183 HydrophobicContact CG1-CD2 4.24Å; I10-L183 HydrophobicContact CG1-CG 4.37Å |
| 11 | L | 95.5 | Very high | 84.3 | Confident | 105 Ų | 105 | 65.5 Ų | 65.5 | 55% | 0.55 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.9 | 167.7 | -175.7 | 152.4 | 0 | 0 | 0 | 108.2 | T178 Y179 V180 | L11-T178 HydrophobicContact CD2-CG2 3.8Å; L11-T178 HydrophobicContact CG-CG2 4.05Å; L11-Y179 WeakPolarHBondContact CA-O 3.5Å; L11-V180 HydrophobicContact CD1-CG2 4.3Å; L11-V180 HydrophobicContact CG-CG2 4.33Å |
| 12 | T | 94.5 | Very high | 87 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 14% | 0.135 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 151.8 | -174.8 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | I10 S14 L17 L18 Y179 | I10-T12 HydrophobicContact CG2-CG2 4.01Å; T12-S14 WeakPolarHBondContact OG1-CB 3.46Å; T12-S14 PolarHBondContact OG1-N 2.9Å; T12-L17 HydrophobicContact CG2-CD2 4.4Å; T12-L18 HydrophobicContact CG2-CD1 3.94Å; T12-L18 HydrophobicContact CG2-CD2 3.99Å; T12-L18 HydrophobicContact CG2-CG 3.79Å; T12-Y179 PolarHBondContact N-O 2.91Å; T12-Y179 WeakPolarHBondContact O-CA 3.23Å; T12-Y179 WeakPolarHBondContact O-CB 3.39Å; T12-Y179 WeakPolarHBondContact O-CD2 3.38Å; T12-Y179 PolarHBondContact O-N 2.72Å |
| 13 | S | 92.3 | Very high | 89.4 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -95.4 | 5.7 | 166.2 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | P15 | S13-P15 VanDerWaalsContact O-CD 3.24Å; S13-P15 WeakPolarHBondContact O-CD 3.29Å |
| 14 | S | 93.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | trans | -96.7 | 106.1 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | T12 M16 L17 L18 D98 | T12-S14 WeakPolarHBondContact OG1-CB 3.46Å; T12-S14 PolarHBondContact OG1-N 2.9Å; S14-M16 PolarHBondContact O-N 3.43Å; S14-M16 PolarHBondContact OG-N 3.45Å; S14-L17 PolarHBondContact O-N 2.91Å; S14-L17 PolarHBondContact OG-N 3.41Å; S14-L18 PolarHBondContact O-N 3.21Å; S14-D98 WeakPolarHBondContact CB-OD2 3.32Å; S14-D98 VanDerWaalsContact OG-CG 3.29Å; S14-D98 PolarHBondContact OG-OD2 2.79Å | ||
| 15 | P | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -25.3 | 170.3 | 26.3 | -27.4 | 0 | 0 | 0 | 111.4 | S13 L18 Q19 P42 I45 L102 Y179 Y242 | S13-P15 VanDerWaalsContact O-CD 3.24Å; S13-P15 WeakPolarHBondContact O-CD 3.29Å; P15-L18 PolarHBondContact O-N 2.92Å; P15-Q19 WeakPolarHBondContact O-CB 3.44Å; P15-Q19 PolarHBondContact O-N 3.37Å; P15-P42 HydrophobicContact CB-CG 4.06Å; P15-I45 HydrophobicContact CB-CD1 3.91Å; P15-L102 HydrophobicContact CG-CD2 4.49Å; P15-Y179 HydrophobicContact CB-CE2 3.99Å; P15-Y179 HydrophobicContact CG-CE2 4.21Å; P15-Y242 HydrophobicContact CB-CD1 4.48Å; P15-Y242 HydrophobicContact CB-CE1 4.49Å; P15-Y242 HydrophobicContact CG-CD1 3.95Å; P15-Y242 HydrophobicContact CG-CE1 3.74Å |
| 16 | M | 94.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.034 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.4 | -67.3 | 64.5 | 75 | 0 | 0 | 111.6 | S14 L18 Q19 Y20 D98 L102 I245 L246 Q249 | S14-M16 PolarHBondContact O-N 3.43Å; S14-M16 PolarHBondContact OG-N 3.45Å; M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 PolarHBondContact O-N 3.43Å; M16-Q19 PolarHBondContact O-N 2.96Å; M16-Y20 WeakPolarHBondContact O-CB 3.48Å; M16-Y20 PolarHBondContact O-N 3.44Å; M16-D98 HydrophobicContact CE-CB 3.73Å; M16-L102 HydrophobicContact CE-CD2 4.06Å; M16-L102 HydrophobicContact CE-CG 4.13Å; M16-L102 HydrophobicContact SD-CD2 4.29Å; M16-I245 HydrophobicContact SD-CG2 3.82Å; M16-L246 HydrophobicContact CB-CD2 4.32Å; M16-L246 HydrophobicContact CG-CD2 3.9Å; M16-L246 HydrophobicContact SD-CD2 4.31Å; M16-Q249 VanDerWaalsContact CG-CD 3.44Å; M16-Q249 HydrophobicContact CG-CG 4.21Å |
| 17 | L | 95.3 | Very high | 95.4 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.5 | 176.1 | 61.1 | 0 | 0 | 0 | 111.1 | I10 T12 S14 Y20 L21 | I10-L17 HydrophobicContact CG2-CD2 4.39Å; T12-L17 HydrophobicContact CG2-CD2 4.4Å; S14-L17 PolarHBondContact O-N 2.91Å; S14-L17 PolarHBondContact OG-N 3.41Å; L17-Y20 PolarHBondContact O-N 3.09Å; L17-L21 HydrophobicContact CD1-CD1 4Å; L17-L21 HydrophobicContact CD1-CG 4.17Å; L17-L21 HydrophobicContact CG-CD1 3.96Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.25Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 2.82Å |
| 18 | L | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 179.3 | -66.3 | 174.1 | 0 | 0 | 0 | 112 | T12 S14 P15 M16 L21 Q22 L27 I45 Y179 A181 | T12-L18 HydrophobicContact CG2-CD1 3.94Å; T12-L18 HydrophobicContact CG2-CD2 3.99Å; T12-L18 HydrophobicContact CG2-CG 3.79Å; S14-L18 PolarHBondContact O-N 3.21Å; P15-L18 PolarHBondContact O-N 2.92Å; M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 PolarHBondContact O-N 3.43Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-Q22 VanDerWaalsContact O-CB 3.32Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 PolarHBondContact O-N 3.31Å; L18-L27 HydrophobicContact CB-CD1 4.41Å; L18-L27 HydrophobicContact CD2-CD1 3.96Å; L18-I45 HydrophobicContact CB-CD1 3.82Å; L18-I45 HydrophobicContact CB-CG2 4.27Å; L18-I45 HydrophobicContact CD1-CD1 3.84Å; L18-I45 HydrophobicContact CG-CD1 4.49Å; L18-Y179 HydrophobicContact CD1-CD1 4.41Å; L18-Y179 HydrophobicContact CD1-CD2 3.92Å; L18-Y179 HydrophobicContact CD1-CG 3.64Å; L18-A181 HydrophobicContact CD2-CB 3.68Å |
| 19 | Q | 96.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 173.6 | -177.1 | 66.8 | 40.2 | 0 | 0 | 110.4 | P15 M16 L21 Q22 E23 S44 I45 L246 | P15-Q19 WeakPolarHBondContact O-CB 3.44Å; P15-Q19 PolarHBondContact O-N 3.37Å; M16-Q19 PolarHBondContact O-N 2.96Å; Q19-L21 PolarHBondContact O-N 3.35Å; Q19-Q22 PolarHBondContact O-N 2.96Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.41Å; Q19-E23 PolarHBondContact NE2-OE1 3.07Å; Q19-E23 WeakPolarHBondContact O-CG 3.17Å; Q19-E23 PolarHBondContact O-N 3.4Å; Q19-S44 PolarHBondContact OE1-OG 3.5Å; Q19-I45 HydrophobicContact CB-CG2 4.05Å; Q19-L246 HydrophobicContact CB-CD1 4.35Å; Q19-L246 HydrophobicContact CB-CD2 3.74Å; Q19-L246 HydrophobicContact CG-CD1 4Å; Q19-L246 HydrophobicContact CG-CD2 3.93Å |
| 20 | Y | 95.2 | Very high | 95.8 | Very high | 121 Ų | 121 | 49.4 Ų | 49.4 | 48% | 0.475 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 177.7 | 175.3 | -94.3 | 0 | 0 | 0 | 111.7 | M16 L17 Q22 E23 H24 | M16-Y20 WeakPolarHBondContact O-CB 3.48Å; M16-Y20 PolarHBondContact O-N 3.44Å; L17-Y20 PolarHBondContact O-N 3.09Å; Y20-Q22 VanDerWaalsContact C-N 3.33Å; Y20-Q22 PolarHBondContact O-N 2.98Å; Y20-E23 PolarHBondContact O-N 3.36Å; Y20-H24 AromaticContact CD2-CE1 3.5Å; Y20-H24 AromaticContact CD2-ND1 3.76Å; Y20-H24 AromaticContact CE2-CE1 3.12Å; Y20-H24 WeakPolarHBondContact CE2-CE1 3.48Å; Y20-H24 AromaticContact CE2-ND1 3.63Å; Y20-H24 AromaticContact CE2-NE2 3.62Å; Y20-H24 AromaticContact CZ-CE1 3.61Å; Y20-H24 AromaticContact CZ-ND1 3.83Å; Y20-H24 AromaticContact CZ-NE2 3.8Å; Y20-H24 PolarHBondContact O-N 3.23Å; Y20-H24 VanDerWaalsContact O-N 3.13Å; Y20-H24 PolarHBondContact O-ND1 2.95Å |
| 21 | L | 96.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | -179.9 | -69.6 | 171.1 | 0 | 0 | 0 | 112.2 | I10 L17 L18 Q19 H24 Q25 K26 L27 | I10-L21 HydrophobicContact CD1-CD1 3.32Å; L17-L21 HydrophobicContact CD1-CD1 4Å; L17-L21 HydrophobicContact CD1-CG 4.17Å; L17-L21 HydrophobicContact CG-CD1 3.96Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 VanDerWaalsContact O-CG 3.25Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 2.82Å; L18-L21 PolarHBondContact O-N 3.43Å; Q19-L21 PolarHBondContact O-N 3.35Å; L21-H24 CarbonylContact O-C 3.57Å; L21-H24 PolarHBondContact O-N 3.07Å; L21-Q25 PolarHBondContact O-N 3.48Å; L21-K26 HydrophobicContact CB-CB 4.19Å; L21-K26 HydrophobicContact CD2-CB 3.99Å; L21-K26 HydrophobicContact CD2-CG 4.19Å; L21-K26 WeakPolarHBondContact O-CA 3.31Å; L21-K26 WeakPolarHBondContact O-CB 3.37Å; L21-K26 PolarHBondContact O-N 3.02Å; L21-L27 HydrophobicContact CB-CD1 4.05Å; L21-L27 HydrophobicContact CB-CD2 3.86Å; L21-L27 HydrophobicContact CB-CG 3.75Å; L21-L27 HydrophobicContact CD1-CD2 4.09Å |
| 22 | Q | 96.7 | Very high | 95.2 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 177.2 | -170.2 | -179.5 | -94.5 | 0 | 0 | 112.1 | L18 Q19 Y20 H24 Q25 L27 S44 T47 T48 | L18-Q22 VanDerWaalsContact O-CB 3.32Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 PolarHBondContact O-N 3.31Å; Q19-Q22 PolarHBondContact O-N 2.96Å; Y20-Q22 VanDerWaalsContact C-N 3.33Å; Y20-Q22 PolarHBondContact O-N 2.98Å; Q22-H24 PolarHBondContact O-N 3.49Å; Q22-Q25 WeakPolarHBondContact O-CA 3.47Å; Q22-Q25 PolarHBondContact O-N 3.37Å; Q22-L27 HydrophobicContact CB-CD1 4.24Å; Q22-S44 PolarHBondContact NE2-O 2.86Å; Q22-T47 PolarHBondContact OE1-OG1 2.63Å; Q22-T48 HydrophobicContact CG-CG2 4.05Å; Q22-T48 VanDerWaalsContact OE1-CG2 3.3Å; Q22-T48 PolarHBondContact OE1-OG1 3.33Å |
| 23 | E | 95.2 | Very high | 95.2 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.5 | -34 | 175.9 | -74.1 | 170.1 | 177.6 | 0 | 0 | 111.9 | Q19 Y20 Q25 | Q19-E23 WeakPolarHBondContact CG-OE1 3.41Å; Q19-E23 PolarHBondContact NE2-OE1 3.07Å; Q19-E23 WeakPolarHBondContact O-CG 3.17Å; Q19-E23 PolarHBondContact O-N 3.4Å; Y20-E23 PolarHBondContact O-N 3.36Å; E23-Q25 PolarHBondContact O-N 2.91Å |
| 24 | H | 96.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 15.1 | 175.9 | -64.9 | 73 | 0 | 0 | 0 | 113.1 | Y20 L21 Q22 K26 | Y20-H24 AromaticContact CD2-CE1 3.5Å; Y20-H24 AromaticContact CD2-ND1 3.76Å; Y20-H24 AromaticContact CE2-CE1 3.12Å; Y20-H24 WeakPolarHBondContact CE2-CE1 3.48Å; Y20-H24 AromaticContact CE2-ND1 3.63Å; Y20-H24 AromaticContact CE2-NE2 3.62Å; Y20-H24 AromaticContact CZ-CE1 3.61Å; Y20-H24 AromaticContact CZ-ND1 3.83Å; Y20-H24 AromaticContact CZ-NE2 3.8Å; Y20-H24 PolarHBondContact O-N 3.23Å; Y20-H24 VanDerWaalsContact O-N 3.13Å; Y20-H24 PolarHBondContact O-ND1 2.95Å; L21-H24 CarbonylContact O-C 3.57Å; L21-H24 PolarHBondContact O-N 3.07Å; Q22-H24 PolarHBondContact O-N 3.49Å; H24-K26 HydrophobicContact CB-CG 3.97Å; H24-K26 WeakPolarHBondContact O-CG 3.4Å; H24-K26 PolarHBondContact O-N 3.3Å; H24-K26 VanDerWaalsContact O-N 3.08Å |
| 25 | Q | 96.4 | Very high | 95.4 | Very high | 146 Ų | 146 | 56.2 Ų | 56.2 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.5 | 178.4 | -57.8 | 177.8 | -32.3 | 0 | 0 | 113.4 | L21 Q22 E23 R184 | L21-Q25 PolarHBondContact O-N 3.48Å; Q22-Q25 WeakPolarHBondContact O-CA 3.47Å; Q22-Q25 PolarHBondContact O-N 3.37Å; E23-Q25 PolarHBondContact O-N 2.91Å; Q25-R184 WeakPolarHBondContact O-CD 3.12Å; Q25-R184 PolarHBondContact O-NE 3.42Å |
| 26 | K | 96.7 | Very high | 95.3 | Very high | 111 Ų | 111 | 60.5 Ų | 60.5 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | trans | -86.6 | -14.5 | -178.1 | -57.9 | -58 | -177.9 | -179 | 0 | 113.6 | L21 H24 L183 R184 | L21-K26 HydrophobicContact CB-CB 4.19Å; L21-K26 HydrophobicContact CD2-CB 3.99Å; L21-K26 HydrophobicContact CD2-CG 4.19Å; L21-K26 WeakPolarHBondContact O-CA 3.31Å; L21-K26 WeakPolarHBondContact O-CB 3.37Å; L21-K26 PolarHBondContact O-N 3.02Å; H24-K26 HydrophobicContact CB-CG 3.97Å; H24-K26 WeakPolarHBondContact O-CG 3.4Å; H24-K26 PolarHBondContact O-N 3.3Å; H24-K26 VanDerWaalsContact O-N 3.08Å; K26-L183 CarbonylContact O-C 3.45Å; K26-L183 WeakPolarHBondContact O-CA 3.46Å; K26-R184 WeakPolarHBondContact O-CB 3.4Å; K26-R184 PolarHBondContact O-N 2.95Å | ||
| 27 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 143.2 | 179.2 | -55.2 | -177.3 | 0 | 0 | 0 | 111.5 | L18 L21 Q22 T48 A181 I182 L183 R184 | L18-L27 HydrophobicContact CB-CD1 4.41Å; L18-L27 HydrophobicContact CD2-CD1 3.96Å; L21-L27 HydrophobicContact CB-CD1 4.05Å; L21-L27 HydrophobicContact CB-CD2 3.86Å; L21-L27 HydrophobicContact CB-CG 3.75Å; L21-L27 HydrophobicContact CD1-CD2 4.09Å; Q22-L27 HydrophobicContact CB-CD1 4.24Å; L27-T48 HydrophobicContact CB-CG2 4.04Å; L27-A181 HydrophobicContact CD1-CB 3.97Å; L27-A181 HydrophobicContact CD2-CB 3.98Å; L27-A181 HydrophobicContact CG-CB 4.49Å; L27-I182 CarbonylContact C-O 3.49Å; L27-I182 WeakPolarHBondContact CA-O 3.44Å; L27-L183 HydrophobicContact CD2-CD2 3.87Å; L27-R184 PolarHBondContact O-NE 3.23Å; L27-R184 PolarHBondContact O-NH2 3.47Å |
| 28 | A | 97 | Very high | 95.4 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -81 | 149.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T48 I182 | A28-T48 WeakPolarHBondContact O-CB 3.42Å; A28-I182 HydrophobicContact CB-CB 4.17Å; A28-I182 HydrophobicContact CB-CG2 4.18Å; A28-I182 PolarHBondContact N-O 3.1Å |
| 29 | P | 97.2 | Very high | 95.3 | Very high | 76 Ų | 76 | 64.5 Ų | 64.5 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.8 | 169.6 | -20.8 | 33 | 0 | 0 | 0 | 112.2 | T47 | P29-T47 WeakPolarHBondContact CA-O 3.35Š|
| 30 | F | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | trans | -143.1 | 106 | 172.5 | -166.3 | -76.4 | 0 | 0 | 0 | 108.5 | D32 A33 T47 V50 I182 R193 I196 | F30-D32 WeakPolarHBondContact CD1-OD1 3.43Å; F30-D32 WeakPolarHBondContact CE1-OD1 3.33Å; F30-D32 WeakPolarHBondContact CZ-OD1 2.79Å; F30-A33 HydrophobicContact CD1-CB 4.16Å; F30-A33 HydrophobicContact CE1-CB 3.88Å; F30-T47 PolarHBondContact N-O 3.38Å; F30-V50 HydrophobicContact CD1-CG1 3.31Å; F30-V50 HydrophobicContact CE1-CG1 3.54Å; F30-V50 HydrophobicContact CG-CG1 4.1Å; F30-V50 HydrophobicContact CZ-CG1 4.47Å; F30-I182 HydrophobicContact CD2-CD1 3.89Å; F30-I182 HydrophobicContact CE2-CD1 4.27Å; F30-R193 HydrophobicContact CE2-CB 4.34Å; F30-R193 HydrophobicContact CE2-CG 3.89Å; F30-I196 HydrophobicContact CD2-CD1 3.87Å; F30-I196 HydrophobicContact CE1-CG2 3.91Å; F30-I196 HydrophobicContact CE2-CB 3.84Å; F30-I196 HydrophobicContact CE2-CD1 3.67Å; F30-I196 HydrophobicContact CE2-CG1 4.35Å; F30-I196 HydrophobicContact CE2-CG2 3.68Å; F30-I196 HydrophobicContact CZ-CB 3.9Å; F30-I196 HydrophobicContact CZ-CD1 4.38Å; F30-I196 HydrophobicContact CZ-CG2 3.29Å | ||
| 31 | D | 89 | Confident | 95.3 | Very high | 142 Ų | 142 | 59.1 Ų | 59.1 | 76% | 0.759 | 31% | 0.313 | S | S | * | . | trans | -114.3 | -2.7 | -168.2 | 54.2 | -13.2 | 0 | 0 | 0 | 114 | ||||
| 32 | D | 90.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.342 | 31% | 0.31 | S | S | . | . | trans | -109.8 | 34.4 | -171.6 | 57.8 | -9.7 | 0 | 0 | 0 | 113.6 | F30 R193 H197 | F30-D32 WeakPolarHBondContact CD1-OD1 3.43Å; F30-D32 WeakPolarHBondContact CE1-OD1 3.33Å; F30-D32 WeakPolarHBondContact CZ-OD1 2.79Å; D32-R193 IonicContact OD2-NE 2.99Å; D32-H197 IonicContact OD1-CE1 3.76Å; D32-H197 IonicContact OD2-CE1 3.09Å; D32-H197 PolarHBondContact OD2-CE1 3.35Å; D32-H197 IonicContact OD2-NE2 3.02Å; D32-H197 PolarHBondContact OD2-NE2 2.98Å | ||
| 33 | A | 94.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 64 Ų | 64 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -93.3 | 145 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F30 Q38 V50 L200 | F30-A33 HydrophobicContact CD1-CB 4.16Å; F30-A33 HydrophobicContact CE1-CB 3.88Å; A33-Q38 HydrophobicContact CB-CG 3.76Å; A33-V50 HydrophobicContact CB-CB 4.41Å; A33-V50 HydrophobicContact CB-CG1 3.52Å; A33-L200 HydrophobicContact CB-CD1 4.45Å | ||
| 34 | P | 94.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | trans | -64.6 | 155.7 | 174.8 | 29.6 | -35.6 | 0 | 0 | 0 | 112.3 | E36 S37 Q38 L200 | P34-E36 VanDerWaalsContact C-N 3.28Å; P34-E36 PolarHBondContact O-N 3.47Å; P34-S37 WeakPolarHBondContact O-CB 3.36Å; P34-S37 PolarHBondContact O-N 3.48Å; P34-S37 VanDerWaalsContact O-N 3.11Å; P34-Q38 WeakPolarHBondContact O-CG 3.29Å; P34-Q38 PolarHBondContact O-N 3.05Å; P34-L200 HydrophobicContact CG-CB 4.38Å; P34-L200 HydrophobicContact CG-CD1 4.46Å | ||
| 35 | A | 94.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -37.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S37 Q38 N39 | A35-S37 VanDerWaalsContact C-N 3.26Å; A35-S37 PolarHBondContact O-N 2.86Å; A35-Q38 PolarHBondContact O-N 3.5Å; A35-Q38 VanDerWaalsContact O-N 3.14Å; A35-N39 VanDerWaalsContact O-CB 3.32Å; A35-N39 WeakPolarHBondContact O-CB 3.34Å; A35-N39 PolarHBondContact O-N 2.97Å; A35-N39 PolarHBondContact O-ND2 3.15Å |
| 36 | E | 93.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 178 | -62.2 | 86.6 | 162.9 | 0 | 0 | 112 | P34 L40 | P34-E36 VanDerWaalsContact C-N 3.28Å; P34-E36 PolarHBondContact O-N 3.47Å; E36-L40 WeakPolarHBondContact O-CD1 3.37Å |
| 37 | S | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.7 | -52.6 | 171.3 | 158.8 | 0 | 0 | 0 | 0 | 110.6 | P34 A35 N39 L40 V41 A51 | P34-S37 WeakPolarHBondContact O-CB 3.36Å; P34-S37 PolarHBondContact O-N 3.48Å; P34-S37 VanDerWaalsContact O-N 3.11Å; A35-S37 VanDerWaalsContact C-N 3.26Å; A35-S37 PolarHBondContact O-N 2.86Å; S37-N39 VanDerWaalsContact C-N 3.31Å; S37-N39 PolarHBondContact O-N 3.31Å; S37-L40 WeakPolarHBondContact O-CB 3.3Å; S37-L40 PolarHBondContact O-N 2.85Å; S37-L40 VanDerWaalsContact O-N 3.1Å; S37-V41 WeakPolarHBondContact O-CG2 3.44Å; S37-A51 WeakPolarHBondContact CB-O 3.39Å; S37-A51 PolarHBondContact OG-N 3.32Å; S37-A51 PolarHBondContact OG-O 2.78Å; S37-A51 VanDerWaalsContact OG-O 3.09Å |
| 38 | Q | 95.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -34.6 | -171 | -74.5 | -72.6 | -39.2 | 0 | 0 | 113.6 | A33 P34 A35 L40 V41 R46 | A33-Q38 HydrophobicContact CB-CG 3.76Å; P34-Q38 WeakPolarHBondContact O-CG 3.29Å; P34-Q38 PolarHBondContact O-N 3.05Å; A35-Q38 PolarHBondContact O-N 3.5Å; A35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-L40 PolarHBondContact O-N 3.43Å; Q38-V41 PolarHBondContact O-N 3.1Å; Q38-V41 VanDerWaalsContact O-N 3.16Å; Q38-R46 PolarHBondContact O-NE 3.23Å; Q38-R46 VanDerWaalsContact OE1-CD 3.23Å |
| 39 | N | 94.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.3 | 177.8 | -70.6 | -18.3 | 0 | 0 | 0 | 113.3 | A35 S37 | A35-N39 VanDerWaalsContact O-CB 3.32Å; A35-N39 WeakPolarHBondContact O-CB 3.34Å; A35-N39 PolarHBondContact O-N 2.97Å; A35-N39 PolarHBondContact O-ND2 3.15Å; S37-N39 VanDerWaalsContact C-N 3.31Å; S37-N39 PolarHBondContact O-N 3.31Å |
| 40 | L | 95.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.2 | 177.5 | -65 | 168.4 | 0 | 0 | 0 | 112.7 | E36 S37 Q38 A51 I54 P177 V218 M235 | E36-L40 WeakPolarHBondContact O-CD1 3.37Å; S37-L40 WeakPolarHBondContact O-CB 3.3Å; S37-L40 PolarHBondContact O-N 2.85Å; S37-L40 VanDerWaalsContact O-N 3.1Å; Q38-L40 PolarHBondContact O-N 3.43Å; L40-A51 HydrophobicContact CB-CB 3.8Å; L40-A51 HydrophobicContact CD1-CB 4.24Å; L40-I54 HydrophobicContact CD1-CG2 3.51Å; L40-I54 HydrophobicContact CD2-CG2 4.32Å; L40-P177 HydrophobicContact CB-CB 4.45Å; L40-P177 HydrophobicContact CB-CG 4.04Å; L40-P177 WeakPolarHBondContact O-CG 3.43Å; L40-V218 HydrophobicContact CD1-CB 3.8Å; L40-V218 HydrophobicContact CD1-CG1 3.47Å; L40-V218 VanDerWaalsContact CD1-CG1 3.47Å; L40-M235 HydrophobicContact CD1-CE 4.23Å; L40-M235 HydrophobicContact CD1-SD 4.43Å; L40-M235 HydrophobicContact CD2-CE 4.03Å; L40-M235 HydrophobicContact CD2-SD 3.84Å; L40-M235 HydrophobicContact CG-CE 4.44Å |
| 41 | V | 96.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -88.9 | 129.8 | -176.9 | -175 | 0 | 0 | 0 | 0 | 110.1 | S37 Q38 E43 I45 R46 A51 Y179 | S37-V41 WeakPolarHBondContact O-CG2 3.44Å; Q38-V41 PolarHBondContact O-N 3.1Å; Q38-V41 VanDerWaalsContact O-N 3.16Å; V41-E43 PolarHBondContact O-N 3.4Å; V41-I45 HydrophobicContact CG1-CD1 4.21Å; V41-I45 HydrophobicContact CG1-CG1 3.75Å; V41-R46 HydrophobicContact CG1-CB 4.26Å; V41-R46 PolarHBondContact O-NE 3.43Å; V41-R46 PolarHBondContact O-NH2 3.04Å; V41-A51 HydrophobicContact CG2-CB 3.91Å; V41-Y179 HydrophobicContact CB-CE1 4.49Å; V41-Y179 HydrophobicContact CG1-CE1 4.41Å; V41-Y179 HydrophobicContact CG2-CD1 4.2Å; V41-Y179 HydrophobicContact CG2-CE1 4.18Å |
| 42 | P | 95.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | trans | -53.9 | 136.4 | 172.3 | -21.1 | 28.9 | 0 | 0 | 0 | 110.9 | P15 S44 I45 R46 Y179 Y242 | P15-P42 HydrophobicContact CB-CG 4.06Å; P42-S44 PolarHBondContact O-N 3.49Å; P42-S44 VanDerWaalsContact O-N 3.08Å; P42-I45 HydrophobicContact CB-CG1 4.14Å; P42-I45 HydrophobicContact CG-CD1 4.19Å; P42-I45 HydrophobicContact CG-CG1 4.22Å; P42-I45 WeakPolarHBondContact O-CG1 3.43Å; P42-I45 PolarHBondContact O-N 3.48Å; P42-R46 PolarHBondContact O-N 3.46Å; P42-Y179 WeakPolarHBondContact CD-OH 3.38Å; P42-Y242 HydrophobicContact CB-CD1 4.48Å; P42-Y242 HydrophobicContact CB-CD2 3.96Å; P42-Y242 HydrophobicContact CB-CG 3.85Å; P42-Y242 HydrophobicContact CG-CD1 3.79Å; P42-Y242 HydrophobicContact CG-CD2 3.63Å; P42-Y242 HydrophobicContact CG-CE1 4.07Å; P42-Y242 HydrophobicContact CG-CE2 3.9Å; P42-Y242 HydrophobicContact CG-CG 3.55Å | ||
| 43 | E | 94.3 | Very high | 96 | Very high | 159 Ų | 159 | 39 Ų | 39 | 74% | 0.743 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -50.8 | -39.9 | -177 | -176.8 | -179.7 | -175.7 | 0 | 0 | 112.4 | V41 I45 R46 | V41-E43 PolarHBondContact O-N 3.4Å; E43-I45 PolarHBondContact O-N 3.29Å; E43-R46 WeakPolarHBondContact O-CB 3.44Å; E43-R46 PolarHBondContact O-N 2.89Å |
| 44 | S | 94.4 | Very high | 96.1 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -59.8 | -29.3 | -177.5 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | Q19 Q22 P42 L246 | Q19-S44 PolarHBondContact OE1-OG 3.5Å; Q22-S44 PolarHBondContact NE2-O 2.86Å; P42-S44 PolarHBondContact O-N 3.49Å; P42-S44 VanDerWaalsContact O-N 3.08Å; S44-L246 WeakPolarHBondContact OG-CD1 3.28Å |
| 45 | I | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -115.3 | 4.6 | -177 | 59.6 | 169.1 | 0 | 0 | 0 | 113.3 | P15 L18 Q19 V41 P42 E43 T47 T48 S49 | P15-I45 HydrophobicContact CB-CD1 3.91Å; L18-I45 HydrophobicContact CB-CD1 3.82Å; L18-I45 HydrophobicContact CB-CG2 4.27Å; L18-I45 HydrophobicContact CD1-CD1 3.84Å; L18-I45 HydrophobicContact CG-CD1 4.49Å; Q19-I45 HydrophobicContact CB-CG2 4.05Å; V41-I45 HydrophobicContact CG1-CD1 4.21Å; V41-I45 HydrophobicContact CG1-CG1 3.75Å; P42-I45 HydrophobicContact CB-CG1 4.14Å; P42-I45 HydrophobicContact CG-CD1 4.19Å; P42-I45 HydrophobicContact CG-CG1 4.22Å; P42-I45 WeakPolarHBondContact O-CG1 3.43Å; P42-I45 PolarHBondContact O-N 3.48Å; E43-I45 PolarHBondContact O-N 3.29Å; I45-T47 PolarHBondContact O-N 2.84Å; I45-T48 PolarHBondContact O-N 2.98Å; I45-T48 VanDerWaalsContact O-N 3.17Å; I45-T48 PolarHBondContact O-OG1 3.28Å; I45-S49 WeakPolarHBondContact O-CB 3.43Å; I45-S49 PolarHBondContact O-N 3.24Å; I45-S49 VanDerWaalsContact O-N 3.12Å; I45-S49 PolarHBondContact O-OG 3.09Å |
| 46 | R | 96.2 | Very high | 96.3 | Very high | 90 Ų | 90 | 33 Ų | 33 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.7 | -170.9 | -171.2 | 176 | -68.5 | 153.1 | 2 | 113.8 | Q38 V41 P42 E43 T48 | Q38-R46 PolarHBondContact O-NE 3.23Å; Q38-R46 VanDerWaalsContact OE1-CD 3.23Å; V41-R46 HydrophobicContact CG1-CB 4.26Å; V41-R46 PolarHBondContact O-NE 3.43Å; V41-R46 PolarHBondContact O-NH2 3.04Å; P42-R46 PolarHBondContact O-N 3.46Å; E43-R46 WeakPolarHBondContact O-CB 3.44Å; E43-R46 PolarHBondContact O-N 2.89Å; R46-T48 VanDerWaalsContact C-N 3.29Å; R46-T48 PolarHBondContact O-N 2.92Å |
| 47 | T | 96.7 | Very high | 96.5 | Very high | 93 Ų | 93 | 28.8 Ų | 28.8 | 57% | 0.571 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.6 | -179.1 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | Q22 P29 F30 I45 | Q22-T47 PolarHBondContact OE1-OG1 2.63Å; P29-T47 WeakPolarHBondContact CA-O 3.35Å; F30-T47 PolarHBondContact N-O 3.38Å; I45-T47 PolarHBondContact O-N 2.84Å |
| 48 | T | 97.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -7.3 | -175.6 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | Q22 L27 A28 I45 R46 A181 | Q22-T48 HydrophobicContact CG-CG2 4.05Å; Q22-T48 VanDerWaalsContact OE1-CG2 3.3Å; Q22-T48 PolarHBondContact OE1-OG1 3.33Å; L27-T48 HydrophobicContact CB-CG2 4.04Å; A28-T48 WeakPolarHBondContact O-CB 3.42Å; I45-T48 PolarHBondContact O-N 2.98Å; I45-T48 VanDerWaalsContact O-N 3.17Å; I45-T48 PolarHBondContact O-OG1 3.28Å; R46-T48 VanDerWaalsContact C-N 3.29Å; R46-T48 PolarHBondContact O-N 2.92Å; T48-A181 WeakPolarHBondContact O-CB 3.23Å |
| 49 | S | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.7 | -169.2 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | I45 | I45-S49 WeakPolarHBondContact O-CB 3.43Å; I45-S49 PolarHBondContact O-N 3.24Å; I45-S49 VanDerWaalsContact O-N 3.12Å; I45-S49 PolarHBondContact O-OG 3.09Å |
| 50 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154.1 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | F30 A33 V52 Y179 V180 I196 L200 | F30-V50 HydrophobicContact CD1-CG1 3.31Å; F30-V50 HydrophobicContact CE1-CG1 3.54Å; F30-V50 HydrophobicContact CG-CG1 4.1Å; F30-V50 HydrophobicContact CZ-CG1 4.47Å; A33-V50 HydrophobicContact CB-CB 4.41Å; A33-V50 HydrophobicContact CB-CG1 3.52Å; V50-V52 HydrophobicContact CG2-CG1 4.04Å; V50-Y179 CarbonylContact O-C 3.54Å; V50-Y179 WeakPolarHBondContact O-CA 3.33Å; V50-V180 HydrophobicContact CG2-CB 4.03Å; V50-V180 WeakPolarHBondContact CG2-O 3.42Å; V50-V180 PolarHBondContact N-O 3.12Å; V50-V180 PolarHBondContact O-N 3.12Å; V50-I196 HydrophobicContact CG1-CG2 4.41Å; V50-I196 HydrophobicContact CG2-CD1 4.43Å; V50-I196 HydrophobicContact CG2-CG2 3.63Å; V50-L200 HydrophobicContact CB-CD1 4.35Å; V50-L200 HydrophobicContact CG2-CD1 4.35Å |
| 51 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S37 L40 V41 P177 T178 Y179 L200 V218 | S37-A51 WeakPolarHBondContact CB-O 3.39Å; S37-A51 PolarHBondContact OG-N 3.32Å; S37-A51 PolarHBondContact OG-O 2.78Å; S37-A51 VanDerWaalsContact OG-O 3.09Å; L40-A51 HydrophobicContact CB-CB 3.8Å; L40-A51 HydrophobicContact CD1-CB 4.24Å; V41-A51 HydrophobicContact CG2-CB 3.91Å; A51-P177 HydrophobicContact CB-CB 3.91Å; A51-T178 WeakPolarHBondContact CA-O 3.32Å; A51-Y179 HydrophobicContact CB-CD1 4.42Å; A51-L200 WeakPolarHBondContact O-CD2 3.28Å; A51-V218 HydrophobicContact CB-CG1 4.2Å; A51-V218 WeakPolarHBondContact O-CG1 3.38Å |
| 52 | V | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -20 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | V50 T178 V180 L199 L200 Q205 L208 | V50-V52 HydrophobicContact CG2-CG1 4.04Å; V52-T178 HydrophobicContact CG2-CG2 4.38Å; V52-T178 WeakPolarHBondContact CG2-O 3.45Å; V52-T178 PolarHBondContact N-O 3.03Å; V52-V180 HydrophobicContact CB-CG2 4.4Å; V52-V180 HydrophobicContact CG1-CB 4.31Å; V52-V180 HydrophobicContact CG1-CG2 3.73Å; V52-V180 HydrophobicContact CG2-CG2 3.73Å; V52-L199 HydrophobicContact CB-CB 4.31Å; V52-L199 HydrophobicContact CB-CD1 4.4Å; V52-L199 HydrophobicContact CG1-CB 4.04Å; V52-L199 HydrophobicContact CG1-CD1 4.03Å; V52-L199 HydrophobicContact CG2-CD1 4.39Å; V52-L200 HydrophobicContact CB-CD2 4.42Å; V52-L200 HydrophobicContact CG1-CD2 3.98Å; V52-L200 HydrophobicContact CG1-CG 4.26Å; V52-Q205 PolarHBondContact O-NE2 3.18Å; V52-L208 HydrophobicContact CB-CD1 4.47Å; V52-L208 VanDerWaalsContact O-CD1 3.27Å; V52-L208 WeakPolarHBondContact O-CD1 3.26Å |
| 53 | A | 97.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P177 T178 K215 Y216 | A53-P177 CarbonylContact O-C 3.49Å; A53-P177 WeakPolarHBondContact O-CA 3.37Å; A53-T178 PolarHBondContact O-N 2.62Å; A53-K215 HydrophobicContact CB-CB 4.01Å; A53-K215 HydrophobicContact CB-CD 3.91Å; A53-Y216 CarbonylContact C-O 3.58Å; A53-Y216 WeakPolarHBondContact CA-O 3.5Å; A53-Y216 VanDerWaalsContact CB-O 3.27Å; A53-Y216 WeakPolarHBondContact CB-O 3.48Å |
| 54 | I | 96.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 160.5 | 174.1 | 70.7 | -178.9 | 0 | 0 | 0 | 111.3 | L40 V175 Y216 V218 Q231 M235 | L40-I54 HydrophobicContact CD1-CG2 3.51Å; L40-I54 HydrophobicContact CD2-CG2 4.32Å; I54-V175 HydrophobicContact CB-CG1 3.82Å; I54-V175 HydrophobicContact CD1-CG1 4.49Å; I54-V175 HydrophobicContact CG2-CG1 4.01Å; I54-Y216 VanDerWaalsContact CG1-CB 3.49Å; I54-Y216 HydrophobicContact CG1-CG 4.37Å; I54-Y216 PolarHBondContact N-O 3.33Å; I54-Y216 PolarHBondContact O-N 3.3Å; I54-V218 HydrophobicContact CG2-CG1 4.08Å; I54-Q231 HydrophobicContact CD1-CG 4.05Å; I54-M235 HydrophobicContact CD1-CG 3.6Å; I54-M235 HydrophobicContact CD1-SD 3.32Å; I54-M235 WeakPolarHBondContact CD1-SD 3.29Å; I54-M235 HydrophobicContact CG2-SD 4.3Å |
| 55 | S | 96.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 151 | 176.6 | -87.5 | 0 | 0 | 0 | 0 | 109.6 | I152 D153 N154 S176 | S55-I152 VanDerWaalsContact CB-CD1 3.47Å; S55-D153 WeakPolarHBondContact CA-OD1 3.15Å; S55-D153 WeakPolarHBondContact CB-OD1 3.25Å; S55-D153 PolarHBondContact OG-OD1 2.91Å; S55-N154 WeakPolarHBondContact OG-CB 3.29Å; S55-N154 PolarHBondContact OG-OD1 3.28Å; S55-S176 PolarHBondContact N-O 2.73Å; S55-S176 PolarHBondContact O-N 2.99Å |
| 56 | G | 97 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I152 D153 | G56-I152 WeakPolarHBondContact O-CA 3.47Å; G56-I152 WeakPolarHBondContact O-CG1 3.42Å; G56-D153 PolarHBondContact N-OD1 2.89Å; G56-D153 PolarHBondContact N-OD2 3.5Å; G56-D153 PolarHBondContact O-N 2.62Å |
| 57 | F | 97.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.9 | 179.3 | -56.5 | -40.5 | 0 | 0 | 0 | 111.3 | T99 L102 M103 I152 F170 S173 A174 | F57-T99 HydrophobicContact CE1-CG2 3.9Å; F57-L102 HydrophobicContact CE2-CB 4.12Å; F57-L102 HydrophobicContact CZ-CB 3.83Å; F57-M103 HydrophobicContact CB-CG 3.94Å; F57-M103 HydrophobicContact CB-SD 4.06Å; F57-M103 HydrophobicContact CD1-CG 3.53Å; F57-M103 HydrophobicContact CD1-SD 3.9Å; F57-M103 HydrophobicContact CD2-CB 4.46Å; F57-M103 HydrophobicContact CD2-CG 3.58Å; F57-M103 HydrophobicContact CE1-CG 3.82Å; F57-M103 HydrophobicContact CE2-CG 3.85Å; F57-M103 HydrophobicContact CG-CG 3.41Å; F57-M103 VanDerWaalsContact CG-CG 3.41Å; F57-M103 HydrophobicContact CG-SD 4.01Å; F57-M103 HydrophobicContact CZ-CG 3.95Å; F57-I152 HydrophobicContact CD1-CB 4.15Å; F57-I152 HydrophobicContact CD1-CG1 4.12Å; F57-I152 HydrophobicContact CE1-CB 4.27Å; F57-I152 HydrophobicContact CE1-CD1 4.15Å; F57-I152 HydrophobicContact CE1-CG1 4.07Å; F57-F170 HydrophobicContact CB-CD2 3.9Å; F57-F170 HydrophobicContact CB-CE2 4.23Å; F57-F170 WeakPolarHBondContact O-CD2 3.48Å; F57-F170 PolarHBondContact O-N 3.36Å; F57-F170 VanDerWaalsContact O-N 3.11Å; F57-S173 PolarHBondContact N-OG 3.4Å; F57-S173 VanDerWaalsContact O-CB 3.29Å; F57-S173 WeakPolarHBondContact O-CB 3.47Å; F57-S173 PolarHBondContact O-OG 3.12Å; F57-S173 VanDerWaalsContact O-OG 3.1Å; F57-A174 HydrophobicContact CD2-CB 4.05Å; F57-A174 HydrophobicContact CE2-CB 4.05Å |
| 58 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | -163.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | P150 V151 F167 T168 | G58-P150 CarbonylContact O-C 3.46Å; G58-P150 VanDerWaalsContact O-CA 3.29Å; G58-P150 WeakPolarHBondContact O-CA 3.32Å; G58-V151 PolarHBondContact N-O 3.38Å; G58-V151 PolarHBondContact O-N 3.02Å; G58-V151 VanDerWaalsContact O-O 3.13Å; G58-F167 VanDerWaalsContact C-CE2 3.49Å; G58-F167 VanDerWaalsContact CA-CZ 3.46Å; G58-T168 CarbonylContact C-O 3.55Å; G58-T168 WeakPolarHBondContact CA-O 3.45Å |
| 59 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.3 | -177.5 | -58.5 | 176 | 0 | 0 | 0 | 109.2 | I61 P74 L80 G149 F167 T168 F170 | L59-I61 HydrophobicContact CB-CD1 4.44Å; L59-I61 HydrophobicContact CB-CG1 4.28Å; L59-P74 HydrophobicContact CD1-CB 3.88Å; L59-P74 HydrophobicContact CD1-CG 4.02Å; L59-P74 WeakPolarHBondContact CD1-O 3.37Å; L59-L80 HydrophobicContact CD1-CD2 4.21Å; L59-L80 HydrophobicContact CD2-CD1 3.82Å; L59-L80 HydrophobicContact CD2-CD2 4.12Å; L59-L80 HydrophobicContact CD2-CG 4.32Å; L59-G149 WeakPolarHBondContact CA-O 3.31Å; L59-F167 WeakPolarHBondContact O-CA 3.49Å; L59-F167 WeakPolarHBondContact O-CD2 3.29Å; L59-T168 PolarHBondContact N-O 3.42Å; L59-T168 PolarHBondContact O-N 3.4Å; L59-F170 HydrophobicContact CD1-CE1 4.18Å; L59-F170 HydrophobicContact CD2-CE1 3.63Å; L59-F170 HydrophobicContact CD2-CZ 3.54Å; L59-F170 HydrophobicContact CG-CD1 4.49Å; L59-F170 HydrophobicContact CG-CE1 3.76Å; L59-F170 HydrophobicContact CG-CZ 4.03Å |
| 60 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.7 | 162.6 | -179.1 | 72.3 | 0 | 0 | 0 | 108 | A138 I141 A148 G149 V151 A156 L159 L165 S166 F167 | L60-A138 HydrophobicContact CD2-CB 3.82Å; L60-I141 HydrophobicContact CB-CD1 4.07Å; L60-I141 HydrophobicContact CD2-CB 4.07Å; L60-I141 HydrophobicContact CD2-CD1 4.24Å; L60-I141 HydrophobicContact CD2-CG2 4.04Å; L60-I141 HydrophobicContact CG-CD1 4.43Å; L60-I141 HydrophobicContact CG-CG2 4Å; L60-A148 WeakPolarHBondContact O-CA 3.32Å; L60-G149 PolarHBondContact N-O 2.85Å; L60-G149 VanDerWaalsContact N-O 3.11Å; L60-G149 PolarHBondContact O-N 2.98Å; L60-G149 VanDerWaalsContact O-N 3.15Å; L60-V151 HydrophobicContact CB-CG1 4.24Å; L60-V151 HydrophobicContact CB-CG2 3.63Å; L60-A156 HydrophobicContact CD1-CB 3.96Å; L60-L159 HydrophobicContact CD2-CD1 4.01Å; L60-L165 HydrophobicContact CD1-CB 4.37Å; L60-S166 WeakPolarHBondContact CA-O 3.45Å; L60-F167 HydrophobicContact CB-CD2 4.41Å |
| 61 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132 | -170.5 | -62.7 | 171 | 0 | 0 | 0 | 109.5 | L59 L66 A73 P74 V147 A148 L165 S166 | L59-I61 HydrophobicContact CB-CD1 4.44Å; L59-I61 HydrophobicContact CB-CG1 4.28Å; I61-L66 HydrophobicContact CG2-CD1 3.26Å; I61-L66 HydrophobicContact CG2-CG 4.1Å; I61-A73 HydrophobicContact CD1-CB 4.17Å; I61-P74 HydrophobicContact CD1-CG 4.46Å; I61-V147 WeakPolarHBondContact CA-O 3.38Å; I61-A148 HydrophobicContact CG1-CB 4.06Å; I61-L165 WeakPolarHBondContact O-CA 3.45Å; I61-S166 PolarHBondContact N-O 3.43Å; I61-S166 PolarHBondContact O-N 3.05Å |
| 62 | N | 98.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 104.8 | 170.8 | -176.1 | -40.9 | 0 | 0 | 0 | 109.8 | P64 A65 L66 I141 K142 V147 L165 | N62-P64 VanDerWaalsContact OD1-CD 3.24Å; N62-P64 WeakPolarHBondContact OD1-CD 3.42Å; N62-A65 HydrophobicContact CB-CB 3.92Å; N62-A65 PolarHBondContact O-N 2.91Å; N62-A65 WeakPolarHBondContact OD1-CB 3.36Å; N62-A65 PolarHBondContact OD1-N 3.44Å; N62-L66 PolarHBondContact O-N 3.23Å; N62-I141 HydrophobicContact CB-CG2 3.92Å; N62-I141 PolarHBondContact ND2-O 3.33Å; N62-K142 PolarHBondContact ND2-O 3.38Å; N62-V147 PolarHBondContact N-O 2.88Å; N62-L165 HydrophobicContact CB-CD2 4.06Å |
| 63 | R | 98.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -47.1 | -175.1 | -70.2 | -171.5 | -79.5 | -84.8 | 7.6 | 113 | A65 L66 S67 P163 H164 L165 S166 | R63-A65 VanDerWaalsContact C-N 3.34Å; R63-A65 PolarHBondContact O-N 3.01Å; R63-L66 PolarHBondContact O-N 2.88Å; R63-S67 WeakPolarHBondContact O-CB 3.31Å; R63-S67 PolarHBondContact O-N 3.33Å; R63-P163 PolarHBondContact NE-O 3.45Å; R63-P163 PolarHBondContact NH2-O 3.46Å; R63-H164 WeakPolarHBondContact CB-O 3.29Å; R63-H164 PolarHBondContact N-O 3.5Å; R63-L165 VanDerWaalsContact CZ-O 3.28Å; R63-L165 PolarHBondContact NH1-O 3.1Å; R63-L165 PolarHBondContact NH2-O 2.86Å; R63-S166 PolarHBondContact NH1-OG 3.28Å |
| 64 | P | 98.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 173.3 | -28 | 34.7 | 0 | 0 | 0 | 113.3 | N62 L66 S67 V68 H164 | N62-P64 VanDerWaalsContact OD1-CD 3.24Å; N62-P64 WeakPolarHBondContact OD1-CD 3.42Å; P64-L66 VanDerWaalsContact C-N 3.35Å; P64-L66 PolarHBondContact O-N 3.3Å; P64-S67 PolarHBondContact O-N 3.28Å; P64-S67 VanDerWaalsContact O-N 3.16Å; P64-V68 WeakPolarHBondContact O-CG2 3.36Å; P64-V68 PolarHBondContact O-N 3.3Å; P64-H164 HydrophobicContact CG-CB 3.72Å; P64-H164 WeakPolarHBondContact CG-ND1 3.33Å |
| 65 | A | 98 | Very high | 97.8 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N62 R63 K69 V147 | N62-A65 HydrophobicContact CB-CB 3.92Å; N62-A65 PolarHBondContact O-N 2.91Å; N62-A65 WeakPolarHBondContact OD1-CB 3.36Å; N62-A65 PolarHBondContact OD1-N 3.44Å; R63-A65 VanDerWaalsContact C-N 3.34Å; R63-A65 PolarHBondContact O-N 3.01Å; A65-K69 PolarHBondContact O-N 3Å; A65-V147 HydrophobicContact CB-CB 4.47Å; A65-V147 HydrophobicContact CB-CG1 3.99Å |
| 66 | L | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 170.1 | -78 | -179.1 | 0 | 0 | 0 | 111.8 | I61 N62 R63 P64 V68 K69 H70 L71 P72 A73 Y85 V147 | I61-L66 HydrophobicContact CG2-CD1 3.26Å; I61-L66 HydrophobicContact CG2-CG 4.1Å; N62-L66 PolarHBondContact O-N 3.23Å; R63-L66 PolarHBondContact O-N 2.88Å; P64-L66 VanDerWaalsContact C-N 3.35Å; P64-L66 PolarHBondContact O-N 3.3Å; L66-V68 PolarHBondContact O-N 3.42Å; L66-K69 CarbonylContact O-C 3.52Å; L66-K69 PolarHBondContact O-N 3.13Å; L66-H70 PolarHBondContact O-N 2.84Å; L66-L71 HydrophobicContact CD2-CB 3.58Å; L66-L71 HydrophobicContact CD2-CD1 4.4Å; L66-L71 PolarHBondContact O-N 3.27Å; L66-P72 WeakPolarHBondContact CD2-O 3.36Å; L66-A73 HydrophobicContact CD1-CB 4.04Å; L66-Y85 HydrophobicContact CD2-CE1 4.28Å; L66-V147 HydrophobicContact CD2-CB 3.61Å; L66-V147 HydrophobicContact CD2-CG1 4.29Å; L66-V147 HydrophobicContact CD2-CG2 3.6Å; L66-V147 HydrophobicContact CG-CB 4.04Å |
| 67 | S | 97.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | R63 P64 K69 H70 | R63-S67 WeakPolarHBondContact O-CB 3.31Å; R63-S67 PolarHBondContact O-N 3.33Å; P64-S67 PolarHBondContact O-N 3.28Å; P64-S67 VanDerWaalsContact O-N 3.16Å; S67-K69 VanDerWaalsContact C-N 3.25Å; S67-K69 PolarHBondContact O-N 3.03Å; S67-H70 PolarHBondContact O-N 3.4Å; S67-H70 PolarHBondContact O-ND1 3.27Å |
| 68 | V | 96.9 | Very high | 98 | Very high | 117 Ų | 117 | 48 Ų | 48 | 71% | 0.709 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.6 | -34.9 | 176.4 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | P64 L66 | P64-V68 WeakPolarHBondContact O-CG2 3.36Å; P64-V68 PolarHBondContact O-N 3.3Å; L66-V68 PolarHBondContact O-N 3.42Å |
| 69 | K | 96.2 | Very high | 98 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1.6 | 177.1 | -70.4 | 178.5 | 176.2 | -86.2 | 0 | 113.6 | A65 L66 S67 L71 A88 V147 | A65-K69 PolarHBondContact O-N 3Å; L66-K69 CarbonylContact O-C 3.52Å; L66-K69 PolarHBondContact O-N 3.13Å; S67-K69 VanDerWaalsContact C-N 3.25Å; S67-K69 PolarHBondContact O-N 3.03Å; K69-L71 HydrophobicContact CB-CD1 3.75Å; K69-L71 HydrophobicContact CB-CG 3.77Å; K69-L71 HydrophobicContact CD-CD1 4.09Å; K69-L71 PolarHBondContact O-N 2.87Å; K69-A88 HydrophobicContact CD-CB 4.39Å; K69-V147 HydrophobicContact CD-CG1 3.65Å |
| 70 | H | 97 | Very high | 98 | Very high | 174 Ų | 174 | 50.4 Ų | 50.4 | 81% | 0.806 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.7 | -174.2 | -54.3 | -65.6 | 0 | 0 | 0 | 113.8 | L66 S67 | L66-H70 PolarHBondContact O-N 2.84Å; S67-H70 PolarHBondContact O-N 3.4Å; S67-H70 PolarHBondContact O-ND1 3.27Å |
| 71 | L | 98 | Very high | 97.9 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 140.8 | -178.1 | -63.9 | 176.4 | 0 | 0 | 0 | 111.6 | L66 K69 I84 Y85 A88 V147 | L66-L71 HydrophobicContact CD2-CB 3.58Å; L66-L71 HydrophobicContact CD2-CD1 4.4Å; L66-L71 PolarHBondContact O-N 3.27Å; K69-L71 HydrophobicContact CB-CD1 3.75Å; K69-L71 HydrophobicContact CB-CG 3.77Å; K69-L71 HydrophobicContact CD-CD1 4.09Å; K69-L71 PolarHBondContact O-N 2.87Å; L71-I84 HydrophobicContact CD2-CB 4.02Å; L71-I84 HydrophobicContact CD2-CG1 4.31Å; L71-I84 WeakPolarHBondContact CD2-O 3.45Å; L71-Y85 HydrophobicContact CB-CE1 4.23Å; L71-Y85 HydrophobicContact CD1-CD1 3.94Å; L71-Y85 HydrophobicContact CD1-CE1 4.35Å; L71-A88 HydrophobicContact CD1-CB 4.15Å; L71-V147 HydrophobicContact CD1-CG1 4.36Å; L71-V147 HydrophobicContact CD1-CG2 4.26Å |
| 72 | P | 97.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 163.5 | 168.6 | 30.6 | -33.2 | 0 | 0 | 0 | 110.7 | L66 I84 Y85 | L66-P72 WeakPolarHBondContact CD2-O 3.36Å; P72-I84 HydrophobicContact CG-CD1 3.78Å; P72-Y85 PolarHBondContact O-OH 2.78Å |
| 73 | A | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 126.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | I61 L66 | I61-A73 HydrophobicContact CD1-CB 4.17Å; L66-A73 HydrophobicContact CD1-CB 4.04Å |
| 74 | P | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -73 | 145.7 | 173.7 | 29.7 | -33.4 | 0 | 0 | 0 | 110.7 | L59 I61 D79 L80 Y85 A148 | L59-P74 HydrophobicContact CD1-CB 3.88Å; L59-P74 HydrophobicContact CD1-CG 4.02Å; L59-P74 WeakPolarHBondContact CD1-O 3.37Å; I61-P74 HydrophobicContact CD1-CG 4.46Å; P74-D79 HydrophobicContact CB-CB 3.72Å; P74-L80 HydrophobicContact CB-CD2 3.79Å; P74-L80 HydrophobicContact CG-CD2 3.96Å; P74-Y85 HydrophobicContact CB-CE2 4.37Å; P74-Y85 WeakPolarHBondContact CD-OH 3.39Å; P74-Y85 HydrophobicContact CG-CE1 4.32Å; P74-A148 HydrophobicContact CG-CB 3.77Å |
| 75 | A | 97.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | trans | -115.7 | -26.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D79 | A75-D79 WeakPolarHBondContact CA-OD2 3.15Å; A75-D79 PolarHBondContact N-OD2 3.44Å | ||
| 76 | D | 97.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -144.9 | 176 | 177.8 | -162.2 | 12.8 | 0 | 0 | 0 | 112.7 | D78 D79 L80 F170 P171 | D76-D78 PolarHBondContact O-N 3.38Å; D76-D79 PolarHBondContact N-OD2 3.34Å; D76-D79 WeakPolarHBondContact O-CB 3.26Å; D76-D79 PolarHBondContact O-N 3.1Å; D76-D79 VanDerWaalsContact O-N 3.1Å; D76-L80 PolarHBondContact O-N 2.97Å; D76-F170 VanDerWaalsContact OD1-CD1 3.31Å; D76-F170 WeakPolarHBondContact OD1-CD1 3.46Å; D76-P171 HydrophobicContact CB-CG 4.22Å |
| 77 | W | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.9 | -34 | 175.6 | -76.1 | 98.4 | 0 | 0 | 0 | 114.1 | D79 L80 A81 M91 L107 T119 L120 P150 F170 | W77-D79 VanDerWaalsContact C-N 3.3Å; W77-D79 PolarHBondContact O-N 3.14Å; W77-L80 HydrophobicContact CE3-CD1 3.97Å; W77-L80 HydrophobicContact CZ3-CD1 4.23Å; W77-L80 WeakPolarHBondContact O-CB 3.37Å; W77-L80 PolarHBondContact O-N 3.27Å; W77-A81 PolarHBondContact O-N 3Å; W77-M91 HydrophobicContact CH2-CE 3.78Å; W77-M91 HydrophobicContact CH2-SD 4.22Å; W77-M91 HydrophobicContact CZ3-CE 4.32Å; W77-M91 HydrophobicContact CZ3-SD 4.28Å; W77-L107 HydrophobicContact CB-CD1 4Å; W77-L107 HydrophobicContact CD2-CD1 4.24Å; W77-L107 HydrophobicContact CD2-CD2 3.78Å; W77-L107 HydrophobicContact CD2-CG 4.49Å; W77-L107 HydrophobicContact CE3-CD2 3.91Å; W77-L107 HydrophobicContact CG-CD1 3.74Å; W77-L107 HydrophobicContact CG-CD2 4.15Å; W77-L107 HydrophobicContact CG-CG 4.47Å; W77-L107 HydrophobicContact CZ3-CD2 4.34Å; W77-T119 HydrophobicContact CB-CG2 3.76Å; W77-L120 HydrophobicContact CH2-CD2 4.23Å; W77-L120 HydrophobicContact CZ3-CD2 3.91Å; W77-P150 HydrophobicContact CH2-CB 4.05Å; W77-P150 HydrophobicContact CH2-CG 3.9Å; W77-P150 HydrophobicContact CZ2-CB 4.13Å; W77-P150 HydrophobicContact CZ2-CG 4.49Å; W77-P150 HydrophobicContact CZ3-CG 4.48Å; W77-F170 AromaticContact CD1-CD1 3.72Å; W77-F170 AromaticContact CD1-CE1 3.5Å; W77-F170 VanDerWaalsContact CD1-CE1 3.5Å; W77-F170 AromaticContact CD1-CZ 3.88Å; W77-F170 HydrophobicContact CD2-CE1 4.28Å; W77-F170 HydrophobicContact CD2-CZ 4.25Å; W77-F170 AromaticContact CE2-CZ 3.61Å; W77-F170 HydrophobicContact CG-CE1 4.02Å; W77-F170 HydrophobicContact CG-CZ 4.42Å; W77-F170 HydrophobicContact CZ2-CE2 4.27Å; W77-F170 AromaticContact CZ2-CZ 3.98Å; W77-F170 HydrophobicContact CZ2-CZ 3.98Å; W77-F170 AromaticContact NE1-CD1 3.89Å; W77-F170 AromaticContact NE1-CE1 3.49Å; W77-F170 AromaticContact NE1-CE2 3.63Å; W77-F170 AromaticContact NE1-CZ 3.36Å |
| 78 | D | 98 | Very high | 97.6 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 178.6 | -67.5 | -32.5 | 0 | 0 | 0 | 111.6 | D76 L80 A81 K111 | D76-D78 PolarHBondContact O-N 3.38Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-A81 WeakPolarHBondContact O-CB 3.34Å; D78-A81 PolarHBondContact O-N 3.41Å; D78-K111 WeakPolarHBondContact OD1-CE 3.49Å; D78-K111 IonicContact OD1-NZ 2.69Å; D78-K111 PolarHBondContact OD1-NZ 3.02Å; D78-K111 IonicContact OD2-NZ 3.66Å; D78-K111 PolarHBondContact OD2-NZ 3.31Å |
| 79 | D | 98.5 | Very high | 97.7 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 173.7 | -62.6 | -36 | 0 | 0 | 0 | 110.8 | P74 A75 D76 W77 A81 L82 Y85 | P74-D79 HydrophobicContact CB-CB 3.72Å; A75-D79 WeakPolarHBondContact CA-OD2 3.15Å; A75-D79 PolarHBondContact N-OD2 3.44Å; D76-D79 PolarHBondContact N-OD2 3.34Å; D76-D79 WeakPolarHBondContact O-CB 3.26Å; D76-D79 PolarHBondContact O-N 3.1Å; D76-D79 VanDerWaalsContact O-N 3.1Å; W77-D79 VanDerWaalsContact C-N 3.3Å; W77-D79 PolarHBondContact O-N 3.14Å; D79-A81 PolarHBondContact O-N 2.69Å; D79-A81 VanDerWaalsContact O-N 3.14Å; D79-L82 HydrophobicContact CB-CD1 4.42Å; D79-L82 VanDerWaalsContact O-CB 3.28Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 WeakPolarHBondContact O-CG 3.22Å; D79-L82 PolarHBondContact O-N 3.26Å; D79-Y85 HydrophobicContact CB-CE2 4.4Å; D79-Y85 WeakPolarHBondContact O-CD2 3.49Å; D79-Y85 WeakPolarHBondContact O-CE2 3.11Å |
| 80 | L | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -21 | 176.8 | -57.8 | -171.7 | 0 | 0 | 0 | 113 | L59 P74 D76 W77 D78 L82 L89 S123 N126 | L59-L80 HydrophobicContact CD1-CD2 4.21Å; L59-L80 HydrophobicContact CD2-CD1 3.82Å; L59-L80 HydrophobicContact CD2-CD2 4.12Å; L59-L80 HydrophobicContact CD2-CG 4.32Å; P74-L80 HydrophobicContact CB-CD2 3.79Å; P74-L80 HydrophobicContact CG-CD2 3.96Å; D76-L80 PolarHBondContact O-N 2.97Å; W77-L80 HydrophobicContact CE3-CD1 3.97Å; W77-L80 HydrophobicContact CZ3-CD1 4.23Å; W77-L80 WeakPolarHBondContact O-CB 3.37Å; W77-L80 PolarHBondContact O-N 3.27Å; D78-L80 VanDerWaalsContact C-N 3.33Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L89 HydrophobicContact CB-CD1 3.75Å; L80-L89 HydrophobicContact CD2-CD1 3.87Å; L80-L89 HydrophobicContact CD2-CD2 3.97Å; L80-L89 HydrophobicContact CG-CD1 4.3Å; L80-L89 VanDerWaalsContact O-CD1 3.29Å; L80-L89 WeakPolarHBondContact O-CD1 3.4Å; L80-S123 WeakPolarHBondContact O-CA 3.45Å; L80-N126 PolarHBondContact O-ND2 2.91Å |
| 81 | A | 97.5 | Very high | 97.9 | Very high | 17 Ų | 17 | 35 Ų | 35 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W77 D78 D79 T122 S123 | W77-A81 PolarHBondContact O-N 3Å; D78-A81 WeakPolarHBondContact O-CB 3.34Å; D78-A81 PolarHBondContact O-N 3.41Å; D79-A81 PolarHBondContact O-N 2.69Å; D79-A81 VanDerWaalsContact O-N 3.14Å; A81-T122 HydrophobicContact CB-CG2 3.7Å; A81-T122 WeakPolarHBondContact O-CG2 3.26Å; A81-S123 PolarHBondContact N-OG 2.75Å |
| 82 | L | 97.7 | Very high | 97.8 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -73 | 135.7 | 179.9 | -63.6 | 173.7 | 0 | 0 | 0 | 111.4 | D79 L80 I84 Y85 N126 | D79-L82 HydrophobicContact CB-CD1 4.42Å; D79-L82 VanDerWaalsContact O-CB 3.28Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 WeakPolarHBondContact O-CG 3.22Å; D79-L82 PolarHBondContact O-N 3.26Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L82-I84 HydrophobicContact CB-CD1 4.37Å; L82-I84 HydrophobicContact CB-CG1 3.93Å; L82-I84 HydrophobicContact CD1-CD1 4.27Å; L82-I84 PolarHBondContact O-N 3.19Å; L82-Y85 HydrophobicContact CB-CD2 4.06Å; L82-Y85 HydrophobicContact CB-CE2 4.27Å; L82-Y85 HydrophobicContact CD1-CE2 4.38Å; L82-Y85 PolarHBondContact O-N 2.82Å; L82-Y85 VanDerWaalsContact O-N 3.11Å; L82-N126 PolarHBondContact O-ND2 3.44Å |
| 83 | P | 97 | Very high | 97.7 | Very high | 53 Ų | 53 | 30.5 Ų | 30.5 | 34% | 0.344 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -58.6 | -23.2 | -178 | -24.7 | 33.2 | 0 | 0 | 0 | 114.6 | Y85 Q86 H275 | P83-Y85 PolarHBondContact O-N 3.4Å; P83-Q86 VanDerWaalsContact O-CB 3.3Å; P83-Q86 WeakPolarHBondContact O-CB 3.24Å; P83-Q86 PolarHBondContact O-N 3.23Å; P83-H275 HydrophobicContact CB-CB 4.43Å |
| 84 | I | 97.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 27.4 Ų | 27.4 | 45% | 0.451 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -60.1 | -25.1 | 178.8 | 66.1 | -179.5 | 0 | 0 | 0 | 112.4 | L71 P72 L82 Q86 | L71-I84 HydrophobicContact CD2-CB 4.02Å; L71-I84 HydrophobicContact CD2-CG1 4.31Å; L71-I84 WeakPolarHBondContact CD2-O 3.45Å; P72-I84 HydrophobicContact CG-CD1 3.78Å; L82-I84 HydrophobicContact CB-CD1 4.37Å; L82-I84 HydrophobicContact CB-CG1 3.93Å; L82-I84 HydrophobicContact CD1-CD1 4.27Å; L82-I84 PolarHBondContact O-N 3.19Å; I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 3.21Å |
| 85 | Y | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -89.1 | 12.6 | 178.4 | -63.3 | -74.2 | 0 | 0 | 0 | 113.8 | L66 L71 P72 P74 D79 L82 P83 D87 A88 L89 N126 V147 | L66-Y85 HydrophobicContact CD2-CE1 4.28Å; L71-Y85 HydrophobicContact CB-CE1 4.23Å; L71-Y85 HydrophobicContact CD1-CD1 3.94Å; L71-Y85 HydrophobicContact CD1-CE1 4.35Å; P72-Y85 PolarHBondContact O-OH 2.78Å; P74-Y85 HydrophobicContact CB-CE2 4.37Å; P74-Y85 WeakPolarHBondContact CD-OH 3.39Å; P74-Y85 HydrophobicContact CG-CE1 4.32Å; D79-Y85 HydrophobicContact CB-CE2 4.4Å; D79-Y85 WeakPolarHBondContact O-CD2 3.49Å; D79-Y85 WeakPolarHBondContact O-CE2 3.11Å; L82-Y85 HydrophobicContact CB-CD2 4.06Å; L82-Y85 HydrophobicContact CB-CE2 4.27Å; L82-Y85 HydrophobicContact CD1-CE2 4.38Å; L82-Y85 PolarHBondContact O-N 2.82Å; L82-Y85 VanDerWaalsContact O-N 3.11Å; P83-Y85 PolarHBondContact O-N 3.4Å; Y85-D87 PolarHBondContact O-N 3.34Å; Y85-A88 VanDerWaalsContact O-CB 3.22Å; Y85-A88 WeakPolarHBondContact O-CB 3.18Å; Y85-A88 PolarHBondContact O-N 3.36Å; Y85-L89 HydrophobicContact CD1-CD2 3.99Å; Y85-L89 HydrophobicContact CG-CD1 4.48Å; Y85-L89 HydrophobicContact CG-CD2 4.14Å; Y85-L89 HydrophobicContact CG-CG 4.45Å; Y85-N126 WeakPolarHBondContact O-CB 3.28Å; Y85-V147 HydrophobicContact CD1-CG2 4.24Å |
| 86 | Q | 97.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 130.4 | 177.4 | 175.8 | 163 | 59.6 | 0 | 0 | 111.5 | P83 I84 A88 N126 R272 | P83-Q86 VanDerWaalsContact O-CB 3.3Å; P83-Q86 WeakPolarHBondContact O-CB 3.24Å; P83-Q86 PolarHBondContact O-N 3.23Å; I84-Q86 VanDerWaalsContact C-N 3.28Å; I84-Q86 PolarHBondContact O-N 3.21Å; Q86-A88 PolarHBondContact O-N 3.03Å; Q86-N126 WeakPolarHBondContact CA-OD1 3.14Å; Q86-N126 PolarHBondContact N-OD1 2.91Å; Q86-R272 VanDerWaalsContact NE2-CA 3.32Å |
| 87 | D | 96.5 | Very high | 97 | Very high | 51 Ų | 51 | 34 Ų | 34 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.1 | -179.7 | -73 | -54.6 | 0 | 0 | 0 | 113 | Y85 N126 V128 K268 R272 | Y85-D87 PolarHBondContact O-N 3.34Å; D87-N126 PolarHBondContact N-O 3.09Å; D87-V128 VanDerWaalsContact C-CG2 3.5Å; D87-V128 WeakPolarHBondContact O-CG2 3.45Å; D87-K268 WeakPolarHBondContact OD1-CE 3.47Å; D87-K268 IonicContact OD1-NZ 3.98Å; D87-K268 PolarHBondContact OD1-NZ 2.81Å; D87-R272 IonicContact OD2-CZ 3.84Å; D87-R272 IonicContact OD2-NH2 3.84Å; D87-R272 PolarHBondContact OD2-NH2 2.78Å |
| 88 | A | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -20.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K69 L71 Y85 Q86 N126 G146 V147 | K69-A88 HydrophobicContact CD-CB 4.39Å; L71-A88 HydrophobicContact CD1-CB 4.15Å; Y85-A88 VanDerWaalsContact O-CB 3.22Å; Y85-A88 WeakPolarHBondContact O-CB 3.18Å; Y85-A88 PolarHBondContact O-N 3.36Å; Q86-A88 PolarHBondContact O-N 3.03Å; A88-N126 PolarHBondContact N-O 2.95Å; A88-N126 VanDerWaalsContact N-O 3.1Å; A88-G146 CarbonylContact O-C 3.54Å; A88-G146 WeakPolarHBondContact O-CA 3.25Å; A88-V147 HydrophobicContact CB-CG1 4.21Å; A88-V147 HydrophobicContact CB-CG2 3.85Å; A88-V147 PolarHBondContact O-N 3.15Å |
| 89 | L | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 158.8 | -172.4 | -57.4 | -179.6 | 0 | 0 | 0 | 113.2 | L80 Y85 N126 L127 V128 V147 A148 | L80-L89 HydrophobicContact CB-CD1 3.75Å; L80-L89 HydrophobicContact CD2-CD1 3.87Å; L80-L89 HydrophobicContact CD2-CD2 3.97Å; L80-L89 HydrophobicContact CG-CD1 4.3Å; L80-L89 VanDerWaalsContact O-CD1 3.29Å; L80-L89 WeakPolarHBondContact O-CD1 3.4Å; Y85-L89 HydrophobicContact CD1-CD2 3.99Å; Y85-L89 HydrophobicContact CG-CD1 4.48Å; Y85-L89 HydrophobicContact CG-CD2 4.14Å; Y85-L89 HydrophobicContact CG-CG 4.45Å; L89-N126 HydrophobicContact CD1-CB 3.75Å; L89-N126 HydrophobicContact CG-CB 4.16Å; L89-N126 PolarHBondContact N-O 2.88Å; L89-L127 HydrophobicContact CB-CD2 3.94Å; L89-L127 CarbonylContact O-C 3.59Å; L89-L127 WeakPolarHBondContact O-CA 3.29Å; L89-V128 PolarHBondContact O-N 3.26Å; L89-V147 HydrophobicContact CD2-CG2 4.16Å; L89-A148 WeakPolarHBondContact CA-O 3.45Å; L89-A148 HydrophobicContact CD2-CB 4.18Å |
| 90 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.7 | 175.3 | -71.4 | 163.7 | 0 | 0 | 0 | 110.4 | V128 T129 V137 K140 I141 L145 A148 G149 P150 | L90-V128 HydrophobicContact CD2-CB 4.25Å; L90-T129 HydrophobicContact CD2-CG2 3.61Å; L90-V137 HydrophobicContact CB-CG1 4.06Å; L90-K140 HydrophobicContact CD1-CB 3.49Å; L90-K140 VanDerWaalsContact CD1-CB 3.49Å; L90-K140 HydrophobicContact CD2-CB 4.39Å; L90-K140 HydrophobicContact CD2-CD 4.31Å; L90-I141 HydrophobicContact CB-CG1 4.31Å; L90-I141 HydrophobicContact CD1-CG1 3.64Å; L90-L145 HydrophobicContact CD2-CD2 4.44Å; L90-A148 PolarHBondContact N-O 3.25Å; L90-G149 WeakPolarHBondContact O-CA 3.46Å; L90-P150 WeakPolarHBondContact O-CD 3.36Å |
| 91 | M | 97.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 166.2 | 175.2 | -173.5 | 173 | 179.4 | 0 | 0 | 109.1 | W77 N100 V104 L120 L127 I130 S131 P150 F256 | W77-M91 HydrophobicContact CH2-CE 3.78Å; W77-M91 HydrophobicContact CH2-SD 4.22Å; W77-M91 HydrophobicContact CZ3-CE 4.32Å; W77-M91 HydrophobicContact CZ3-SD 4.28Å; M91-N100 WeakPolarHBondContact CE-ND2 3.31Å; M91-V104 HydrophobicContact CE-CG2 3.62Å; M91-L120 HydrophobicContact CE-CD2 4.22Å; M91-L127 HydrophobicContact CB-CD1 4.28Å; M91-L127 HydrophobicContact CB-CD2 3.71Å; M91-I130 CarbonylContact O-C 3.44Å; M91-I130 WeakPolarHBondContact O-CA 3.08Å; M91-S131 PolarHBondContact O-N 3.12Å; M91-P150 HydrophobicContact CB-CG 4.27Å; M91-P150 HydrophobicContact CG-CG 3.84Å; M91-P150 HydrophobicContact SD-CG 4.29Å; M91-F256 HydrophobicContact CE-CE2 4.11Å; M91-F256 HydrophobicContact CE-CZ 4.36Å; M91-F256 HydrophobicContact SD-CE2 4.49Å; M91-F256 HydrophobicContact SD-CZ 4.37Å |
| 92 | S | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 167 | 168.4 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | N100 S131 | S92-N100 PolarHBondContact O-ND2 2.8Å; S92-N100 PolarHBondContact O-OD1 3.01Å; S92-N100 VanDerWaalsContact O-OD1 3.14Å; S92-N100 WeakPolarHBondContact OG-CB 3.35Å; S92-N100 VanDerWaalsContact OG-CG 3.28Å; S92-N100 PolarHBondContact OG-OD1 2.92Å; S92-N100 VanDerWaalsContact OG-OD1 3.1Å; S92-S131 VanDerWaalsContact CA-O 3.26Å; S92-S131 WeakPolarHBondContact CA-O 3.1Å; S92-S131 VanDerWaalsContact CB-O 3.27Å; S92-S131 WeakPolarHBondContact CB-O 3.36Å |
| 93 | S | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | trans | -85.5 | 137.9 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | S95 R96 S97 D257 | S93-S95 PolarHBondContact O-N 3.46Å; S93-S95 PolarHBondContact OG-N 3.1Å; S93-S95 PolarHBondContact OG-OG 3.07Å; S93-R96 PolarHBondContact O-N 3.18Å; S93-R96 VanDerWaalsContact O-N 3.09Å; S93-S97 PolarHBondContact O-N 3Å; S93-S97 VanDerWaalsContact O-N 3.12Å; S93-D257 PolarHBondContact OG-OD1 2.82Å | ||
| 94 | P | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.1 | 172.1 | 29.1 | -36 | 0 | 0 | 0 | 113.3 | R96 N100 H101 Q253 F256 | P94-R96 VanDerWaalsContact C-N 3.27Å; P94-R96 PolarHBondContact O-N 3.03Å; P94-N100 WeakPolarHBondContact CD-ND2 2.79Å; P94-H101 HydrophobicContact CB-CB 3.83Å; P94-Q253 HydrophobicContact CB-CG 4.45Å; P94-Q253 PolarHBondContact O-NE2 3.05Å; P94-Q253 VanDerWaalsContact O-NE2 3.1Å; P94-F256 VanDerWaalsContact CD-CG 3.45Å; P94-F256 HydrophobicContact CG-CB 3.59Å; P94-F256 HydrophobicContact CG-CD1 3.9Å; P94-F256 HydrophobicContact CG-CD2 3.81Å; P94-F256 HydrophobicContact CG-CE2 4.46Å; P94-F256 HydrophobicContact CG-CG 3.48Å; P94-F256 VanDerWaalsContact CG-CG 3.48Å |
| 95 | S | 94.7 | Very high | 96.3 | Very high | 35 Ų | 35 | 19.9 Ų | 19.9 | 25% | 0.245 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13.5 | 175.6 | 71 | 0 | 0 | 0 | 0 | 113.7 | S93 D257 | S93-S95 PolarHBondContact O-N 3.46Å; S93-S95 PolarHBondContact OG-N 3.1Å; S93-S95 PolarHBondContact OG-OG 3.07Å; S95-D257 WeakPolarHBondContact CB-OD2 3.4Å; S95-D257 PolarHBondContact OG-OD1 3.11Å; S95-D257 VanDerWaalsContact OG-OD1 3.12Å; S95-D257 PolarHBondContact OG-OD2 3.27Å |
| 96 | R | 92.6 | Very high | 96.3 | Very high | 179 Ų | 179 | 20.1 Ų | 20.1 | 68% | 0.675 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -6.2 | -178.6 | -50.6 | -64.7 | -80.4 | -167.6 | -9.2 | 112.9 | S93 P94 S132 | S93-R96 PolarHBondContact O-N 3.18Å; S93-R96 VanDerWaalsContact O-N 3.09Å; P94-R96 VanDerWaalsContact C-N 3.27Å; P94-R96 PolarHBondContact O-N 3.03Å; R96-S132 VanDerWaalsContact CB-O 3.23Å; R96-S132 WeakPolarHBondContact CB-O 3.28Å |
| 97 | S | 93.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 5% | 0.049 | 9% | 0.085 | C | C | . | . | trans | -153.1 | 108.8 | -174.2 | 146.4 | 0 | 0 | 0 | 0 | 110.3 | S93 T99 N100 H101 S134 | S93-S97 PolarHBondContact O-N 3Å; S93-S97 VanDerWaalsContact O-N 3.12Å; S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact O-N 3.34Å; S97-N100 WeakPolarHBondContact O-CB 3.45Å; S97-N100 PolarHBondContact O-N 2.74Å; S97-N100 VanDerWaalsContact O-N 3.12Å; S97-N100 WeakPolarHBondContact OG-CB 3.22Å; S97-N100 PolarHBondContact OG-N 3.28Å; S97-H101 PolarHBondContact O-N 3.34Å; S97-S134 WeakPolarHBondContact CB-OG 3.34Å; S97-S134 PolarHBondContact OG-OG 3.31Å | ||
| 98 | D | 93.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 15.3 Ų | 15.3 | 27% | 0.267 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -63.9 | -32.1 | 177.5 | -72.7 | -22 | 0 | 0 | 0 | 112.8 | S14 M16 N100 H101 L102 | S14-D98 WeakPolarHBondContact CB-OD2 3.32Å; S14-D98 VanDerWaalsContact OG-CG 3.29Å; S14-D98 PolarHBondContact OG-OD2 2.79Å; M16-D98 HydrophobicContact CE-CB 3.73Å; D98-N100 VanDerWaalsContact C-N 3.32Å; D98-N100 PolarHBondContact O-N 3.23Å; D98-H101 WeakPolarHBondContact O-CA 3.39Å; D98-H101 VanDerWaalsContact O-CB 3.32Å; D98-H101 WeakPolarHBondContact O-CB 3.25Å; D98-H101 PolarHBondContact O-N 3.42Å; D98-H101 VanDerWaalsContact O-N 3.15Å; D98-L102 WeakPolarHBondContact O-CG 3.12Å; D98-L102 PolarHBondContact O-N 3.31Å |
| 99 | T | 94.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 18.1 Ų | 18.1 | 9% | 0.086 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 172.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F57 S97 H101 L102 M103 I152 | F57-T99 HydrophobicContact CE1-CG2 3.9Å; S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact O-N 3.34Å; T99-H101 VanDerWaalsContact C-N 3.33Å; T99-L102 PolarHBondContact O-N 3.38Å; T99-M103 WeakPolarHBondContact O-CG 3.13Å; T99-M103 PolarHBondContact O-N 2.99Å; T99-I152 HydrophobicContact CG2-CB 3.72Å; T99-I152 HydrophobicContact CG2-CD1 3.94Å; T99-I152 HydrophobicContact CG2-CG1 4.35Å; T99-I152 HydrophobicContact CG2-CG2 3.92Å |
| 100 | N | 95.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -33.7 | 175 | -168.5 | 95 | 0 | 0 | 0 | 112.3 | M91 S92 P94 S97 D98 L102 M103 V104 | M91-N100 WeakPolarHBondContact CE-ND2 3.31Å; S92-N100 PolarHBondContact O-ND2 2.8Å; S92-N100 PolarHBondContact O-OD1 3.01Å; S92-N100 VanDerWaalsContact O-OD1 3.14Å; S92-N100 WeakPolarHBondContact OG-CB 3.35Å; S92-N100 VanDerWaalsContact OG-CG 3.28Å; S92-N100 PolarHBondContact OG-OD1 2.92Å; S92-N100 VanDerWaalsContact OG-OD1 3.1Å; P94-N100 WeakPolarHBondContact CD-ND2 2.79Å; S97-N100 WeakPolarHBondContact O-CB 3.45Å; S97-N100 PolarHBondContact O-N 2.74Å; S97-N100 VanDerWaalsContact O-N 3.12Å; S97-N100 WeakPolarHBondContact OG-CB 3.22Å; S97-N100 PolarHBondContact OG-N 3.28Å; D98-N100 VanDerWaalsContact C-N 3.32Å; D98-N100 PolarHBondContact O-N 3.23Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-M103 HydrophobicContact CB-CE 4.09Å; N100-M103 PolarHBondContact O-N 2.86Å; N100-V104 WeakPolarHBondContact O-CB 3.36Å; N100-V104 WeakPolarHBondContact O-CG2 3.13Å; N100-V104 PolarHBondContact O-N 3.5Å |
| 101 | H | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 170.6 | -173.6 | 79.3 | 0 | 0 | 0 | 111.4 | P94 S97 D98 T99 M103 V104 E105 | P94-H101 HydrophobicContact CB-CB 3.83Å; S97-H101 PolarHBondContact O-N 3.34Å; D98-H101 WeakPolarHBondContact O-CA 3.39Å; D98-H101 VanDerWaalsContact O-CB 3.32Å; D98-H101 WeakPolarHBondContact O-CB 3.25Å; D98-H101 PolarHBondContact O-N 3.42Å; D98-H101 VanDerWaalsContact O-N 3.15Å; T99-H101 VanDerWaalsContact C-N 3.33Å; H101-M103 PolarHBondContact O-N 3.34Å; H101-V104 PolarHBondContact O-N 3.22Å; H101-E105 IonicContact NE2-OE1 3.44Å; H101-E105 WeakPolarHBondContact O-CB 3.33Å; H101-E105 WeakPolarHBondContact O-CG 2.92Å; H101-E105 PolarHBondContact O-N 3.47Å |
| 102 | L | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.2 | -65.9 | 175.6 | 0 | 0 | 0 | 112.7 | P15 M16 F57 D98 T99 N100 E105 S106 L240 Y242 I245 | P15-L102 HydrophobicContact CG-CD2 4.49Å; M16-L102 HydrophobicContact CE-CD2 4.06Å; M16-L102 HydrophobicContact CE-CG 4.13Å; M16-L102 HydrophobicContact SD-CD2 4.29Å; F57-L102 HydrophobicContact CE2-CB 4.12Å; F57-L102 HydrophobicContact CZ-CB 3.83Å; D98-L102 WeakPolarHBondContact O-CG 3.12Å; D98-L102 PolarHBondContact O-N 3.31Å; T99-L102 PolarHBondContact O-N 3.38Å; N100-L102 VanDerWaalsContact C-N 3.34Å; L102-E105 PolarHBondContact O-N 2.97Å; L102-S106 VanDerWaalsContact O-CB 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 2.92Å; L102-L240 HydrophobicContact CD2-CD1 4.29Å; L102-Y242 HydrophobicContact CD2-CE1 4.28Å; L102-I245 HydrophobicContact CD2-CD1 4.03Å; L102-I245 HydrophobicContact CD2-CG2 4.17Å |
| 103 | M | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 173.5 | -72.8 | -169.7 | -67.6 | 0 | 0 | 112.2 | F57 T99 N100 H101 S106 L107 P150 | F57-M103 HydrophobicContact CB-CG 3.94Å; F57-M103 HydrophobicContact CB-SD 4.06Å; F57-M103 HydrophobicContact CD1-CG 3.53Å; F57-M103 HydrophobicContact CD1-SD 3.9Å; F57-M103 HydrophobicContact CD2-CB 4.46Å; F57-M103 HydrophobicContact CD2-CG 3.58Å; F57-M103 HydrophobicContact CE1-CG 3.82Å; F57-M103 HydrophobicContact CE2-CG 3.85Å; F57-M103 HydrophobicContact CG-CG 3.41Å; F57-M103 VanDerWaalsContact CG-CG 3.41Å; F57-M103 HydrophobicContact CG-SD 4.01Å; F57-M103 HydrophobicContact CZ-CG 3.95Å; T99-M103 WeakPolarHBondContact O-CG 3.13Å; T99-M103 PolarHBondContact O-N 2.99Å; N100-M103 HydrophobicContact CB-CE 4.09Å; N100-M103 PolarHBondContact O-N 2.86Å; H101-M103 PolarHBondContact O-N 3.34Å; M103-S106 WeakPolarHBondContact O-CB 3.31Å; M103-S106 PolarHBondContact O-N 3.02Å; M103-L107 PolarHBondContact O-N 3.44Å; M103-L107 VanDerWaalsContact O-N 3.07Å; M103-P150 HydrophobicContact CE-CB 4.17Å; M103-P150 HydrophobicContact SD-CB 3.94Å |
| 104 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.5 | 165.1 | 0 | 0 | 0 | 0 | 110.6 | M91 N100 H101 S106 L107 L108 L120 V252 | M91-V104 HydrophobicContact CE-CG2 3.62Å; N100-V104 WeakPolarHBondContact O-CB 3.36Å; N100-V104 WeakPolarHBondContact O-CG2 3.13Å; N100-V104 PolarHBondContact O-N 3.5Å; H101-V104 PolarHBondContact O-N 3.22Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.34Å; V104-L107 WeakPolarHBondContact O-CB 3.04Å; V104-L107 PolarHBondContact O-N 3.33Å; V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.45Å; V104-L108 PolarHBondContact O-N 3.44Å; V104-L120 HydrophobicContact CG1-CD1 3.85Å; V104-L120 HydrophobicContact CG2-CD2 4.2Å; V104-V252 HydrophobicContact CG1-CG1 3.72Å |
| 105 | E | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 176.3 | -81.8 | -72.5 | 168.3 | 0 | 0 | 112.5 | H101 L102 L107 L108 Q109 I245 R248 | H101-E105 IonicContact NE2-OE1 3.44Å; H101-E105 WeakPolarHBondContact O-CB 3.33Å; H101-E105 WeakPolarHBondContact O-CG 2.92Å; H101-E105 PolarHBondContact O-N 3.47Å; L102-E105 PolarHBondContact O-N 2.97Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.94Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-Q109 WeakPolarHBondContact O-CB 3.3Å; E105-Q109 VanDerWaalsContact O-CG 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.49Å; E105-Q109 PolarHBondContact O-N 2.96Å; E105-Q109 PolarHBondContact OE2-NE2 3.33Å; E105-I245 HydrophobicContact CB-CD1 4.03Å; E105-I245 HydrophobicContact CB-CG1 3.89Å; E105-I245 HydrophobicContact CG-CB 4.43Å; E105-I245 HydrophobicContact CG-CD1 4.39Å; E105-I245 HydrophobicContact CG-CG1 3.78Å; E105-I245 HydrophobicContact CG-CG2 4.19Å; E105-R248 VanDerWaalsContact CD-NE 3.34Å; E105-R248 WeakPolarHBondContact OE1-CG 3.47Å; E105-R248 IonicContact OE1-CZ 3.59Å; E105-R248 IonicContact OE1-NE 3.76Å; E105-R248 PolarHBondContact OE1-NE 3.18Å; E105-R248 IonicContact OE1-NH2 3.35Å; E105-R248 IonicContact OE2-CZ 2.75Å; E105-R248 VanDerWaalsContact OE2-CZ 3.26Å; E105-R248 IonicContact OE2-NE 3.62Å; E105-R248 PolarHBondContact OE2-NE 2.93Å; E105-R248 IonicContact OE2-NH2 3.57Å; E105-R248 PolarHBondContact OE2-NH2 3.39Å |
| 106 | S | 97.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | L102 M103 V104 Q109 Q110 A174 | L102-S106 VanDerWaalsContact O-CB 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 2.92Å; M103-S106 WeakPolarHBondContact O-CB 3.31Å; M103-S106 PolarHBondContact O-N 3.02Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.34Å; S106-Q109 PolarHBondContact O-N 3.35Å; S106-Q110 WeakPolarHBondContact O-CB 3.43Å; S106-Q110 WeakPolarHBondContact O-CG 3.48Å; S106-Q110 PolarHBondContact O-N 2.85Å; S106-Q110 PolarHBondContact OG-NE2 3.04Å; S106-A174 VanDerWaalsContact OG-CB 3.31Å; S106-A174 WeakPolarHBondContact OG-CB 3.37Å |
| 107 | L | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.9 | 175.6 | 65 | 0 | 0 | 0 | 111.7 | W77 M103 V104 E105 Q109 Q110 K111 T119 L120 | W77-L107 HydrophobicContact CB-CD1 4Å; W77-L107 HydrophobicContact CD2-CD1 4.24Å; W77-L107 HydrophobicContact CD2-CD2 3.78Å; W77-L107 HydrophobicContact CD2-CG 4.49Å; W77-L107 HydrophobicContact CE3-CD2 3.91Å; W77-L107 HydrophobicContact CG-CD1 3.74Å; W77-L107 HydrophobicContact CG-CD2 4.15Å; W77-L107 HydrophobicContact CG-CG 4.47Å; W77-L107 HydrophobicContact CZ3-CD2 4.34Å; M103-L107 PolarHBondContact O-N 3.44Å; M103-L107 VanDerWaalsContact O-N 3.07Å; V104-L107 WeakPolarHBondContact O-CB 3.04Å; V104-L107 PolarHBondContact O-N 3.33Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 2.94Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.97Å; L107-Q110 PolarHBondContact O-N 2.96Å; L107-K111 HydrophobicContact CD1-CD 3.55Å; L107-K111 HydrophobicContact CD1-CG 4.03Å; L107-K111 PolarHBondContact O-N 3.48Å; L107-T119 HydrophobicContact CD1-CG2 4.38Å; L107-T119 HydrophobicContact CD2-CG2 4.24Å; L107-L120 HydrophobicContact CD2-CD1 4.2Å; L107-L120 HydrophobicContact CD2-CD2 3.6Å; L107-L120 HydrophobicContact CD2-CG 3.54Å |
| 108 | L | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | -179.3 | -68.3 | 177.1 | 0 | 0 | 0 | 112.2 | V104 E105 G112 W113 W117 L120 V252 | V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.31Å; V104-L108 VanDerWaalsContact O-CG 3.3Å; V104-L108 WeakPolarHBondContact O-CG 3.45Å; V104-L108 PolarHBondContact O-N 3.44Å; E105-L108 PolarHBondContact O-N 3.16Å; L108-G112 CarbonylContact O-C 3.52Å; L108-G112 WeakPolarHBondContact O-CA 3.29Å; L108-G112 PolarHBondContact O-N 2.93Å; L108-W113 HydrophobicContact CD1-CE3 4.24Å; L108-W113 HydrophobicContact CD1-CZ3 3.96Å; L108-W113 HydrophobicContact CD2-CE3 4.48Å; L108-W117 HydrophobicContact CD2-CD2 4.46Å; L108-W117 HydrophobicContact CD2-CG 4.13Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; L108-V252 HydrophobicContact CD1-CG1 4.3Å; L108-V252 HydrophobicContact CD1-CG2 4.03Å |
| 109 | Q | 97.9 | Very high | 97.7 | Very high | 60 Ų | 60 | 23.9 Ų | 23.9 | 28% | 0.28 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -73.1 | -31.9 | 177.1 | -69.5 | 176.6 | 36.7 | 0 | 0 | 112.1 | E105 S106 L107 I245 | E105-Q109 WeakPolarHBondContact O-CB 3.3Å; E105-Q109 VanDerWaalsContact O-CG 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.49Å; E105-Q109 PolarHBondContact O-N 2.96Å; E105-Q109 PolarHBondContact OE2-NE2 3.33Å; S106-Q109 PolarHBondContact O-N 3.35Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.97Å; Q109-I245 VanDerWaalsContact NE2-CG1 3.31Å |
| 110 | Q | 97 | Very high | 97.9 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 24% | 0.243 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -83.2 | -32 | -177 | -80 | 177.8 | 34.1 | 0 | 0 | 115.3 | S106 L107 R172 | S106-Q110 WeakPolarHBondContact O-CB 3.43Å; S106-Q110 WeakPolarHBondContact O-CG 3.48Å; S106-Q110 PolarHBondContact O-N 2.85Å; S106-Q110 PolarHBondContact OG-NE2 3.04Å; L107-Q110 PolarHBondContact O-N 2.96Å; Q110-R172 PolarHBondContact NE2-O 3.37Å; Q110-R172 PolarHBondContact O-NH1 3.17Å; Q110-R172 PolarHBondContact O-NH2 3.46Å; Q110-R172 VanDerWaalsContact O-NH2 3.12Å; Q110-R172 VanDerWaalsContact OE1-CB 3.24Å |
| 111 | K | 97.5 | Very high | 98 | Very high | 48 Ų | 48 | 23.4 Ų | 23.4 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -104.3 | -10.4 | 177.9 | -68.3 | -172.1 | -175.9 | -92.3 | 0 | 112.8 | D78 L107 K115 | D78-K111 WeakPolarHBondContact OD1-CE 3.49Å; D78-K111 IonicContact OD1-NZ 2.69Å; D78-K111 PolarHBondContact OD1-NZ 3.02Å; D78-K111 IonicContact OD2-NZ 3.66Å; D78-K111 PolarHBondContact OD2-NZ 3.31Å; L107-K111 HydrophobicContact CD1-CD 3.55Å; L107-K111 HydrophobicContact CD1-CG 4.03Å; L107-K111 PolarHBondContact O-N 3.48Å; K111-K115 HydrophobicContact CB-CB 4.24Å; K111-K115 HydrophobicContact CB-CG 4.26Å; K111-K115 HydrophobicContact CD-CG 4.41Å |
| 112 | G | 98.1 | Very high | 98.1 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 34% | 0.34 | 13% | 0.126 | S | C | . | . | trans | 80.6 | 163.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L108 V114 G116 | L108-G112 CarbonylContact O-C 3.52Å; L108-G112 WeakPolarHBondContact O-CA 3.29Å; L108-G112 PolarHBondContact O-N 2.93Å; G112-V114 PolarHBondContact O-N 2.91Å; G112-G116 WeakPolarHBondContact O-CA 3.49Å; G112-G116 PolarHBondContact O-N 3.46Å | ||
| 113 | W | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.9 | -52.5 | -172.2 | -177.1 | -105.1 | 0 | 0 | 0 | 113.3 | L108 W117 L251 V252 L255 V297 A299 S302 | L108-W113 HydrophobicContact CD1-CE3 4.24Å; L108-W113 HydrophobicContact CD1-CZ3 3.96Å; L108-W113 HydrophobicContact CD2-CE3 4.48Å; W113-W117 AromaticContact CD2-CD1 3.63Å; W113-W117 AromaticContact CD2-NE1 3.6Å; W113-W117 AromaticContact CE2-CD1 3.55Å; W113-W117 AromaticContact CE2-NE1 3.38Å; W113-W117 AromaticContact CE3-CD1 3.96Å; W113-W117 AromaticContact CE3-NE1 3.57Å; W113-W117 HydrophobicContact CH2-CZ2 4.25Å; W113-W117 AromaticContact CH2-NE1 3.17Å; W113-W117 AromaticContact CZ2-CD1 3.83Å; W113-W117 AromaticContact CZ2-NE1 3.18Å; W113-W117 AromaticContact CZ3-NE1 3.37Å; W113-W117 AromaticContact NE1-CD1 3.95Å; W113-W117 PolarHBondContact O-N 3.46Å; W113-W117 VanDerWaalsContact O-N 3.1Å; W113-L251 HydrophobicContact CH2-CD2 3.75Å; W113-L251 HydrophobicContact CH2-CG 4.16Å; W113-L251 HydrophobicContact CZ2-CD2 4.29Å; W113-V252 HydrophobicContact CH2-CG2 4.16Å; W113-V252 HydrophobicContact CZ3-CG2 3.95Å; W113-L255 HydrophobicContact CH2-CD2 4.05Å; W113-L255 HydrophobicContact CZ2-CD2 3.72Å; W113-V297 HydrophobicContact CZ2-CB 4.14Å; W113-V297 HydrophobicContact CZ2-CG1 4.08Å; W113-V297 PolarHBondContact NE1-O 3.4Å; W113-A299 HydrophobicContact CB-CB 3.81Å; W113-A299 HydrophobicContact CG-CB 4.08Å; W113-S302 VanDerWaalsContact CD2-OG 3.27Å |
| 114 | V | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 24 Ų | 24 | 64% | 0.636 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -66.3 | -54.3 | -175 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | G112 G116 W117 E118 | G112-V114 PolarHBondContact O-N 2.91Å; V114-G116 VanDerWaalsContact C-N 3.35Å; V114-G116 PolarHBondContact O-N 3.35Å; V114-W117 PolarHBondContact O-N 3.45Å; V114-E118 PolarHBondContact O-N 2.93Å |
| 115 | K | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 24 Ų | 24 | 40% | 0.396 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.6 | -33.7 | -177 | -172.7 | 56.2 | 171.4 | -177.3 | 0 | 112.3 | K111 E118 T119 | K111-K115 HydrophobicContact CB-CB 4.24Å; K111-K115 HydrophobicContact CB-CG 4.26Å; K111-K115 HydrophobicContact CD-CG 4.41Å; K115-E118 HydrophobicContact CD-CB 4.35Å; K115-E118 WeakPolarHBondContact CD-OE2 3.35Å; K115-E118 IonicContact NZ-OE1 2.67Å; K115-E118 PolarHBondContact NZ-OE1 2.89Å; K115-E118 IonicContact NZ-OE2 3.77Å; K115-E118 PolarHBondContact NZ-OE2 2.77Å; K115-E118 WeakPolarHBondContact O-CB 3.18Å; K115-E118 PolarHBondContact O-N 2.89Å; K115-T119 PolarHBondContact O-N 2.95Å; K115-T119 PolarHBondContact O-OG1 3.33Å; K115-T119 VanDerWaalsContact O-OG1 3.14Å |
| 116 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G112 V114 T119 L120 | G112-G116 WeakPolarHBondContact O-CA 3.49Å; G112-G116 PolarHBondContact O-N 3.46Å; V114-G116 VanDerWaalsContact C-N 3.35Å; V114-G116 PolarHBondContact O-N 3.35Å; G116-T119 PolarHBondContact O-N 3.3Å; G116-L120 WeakPolarHBondContact O-CG 3.47Å; G116-L120 PolarHBondContact O-N 3.25Å |
| 117 | W | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 172.6 | -83.6 | 111.2 | 0 | 0 | 0 | 112.7 | L108 W113 V114 T119 L120 L121 L255 F256 V295 | L108-W117 HydrophobicContact CD2-CD2 4.46Å; L108-W117 HydrophobicContact CD2-CG 4.13Å; W113-W117 AromaticContact CD2-CD1 3.63Å; W113-W117 AromaticContact CD2-NE1 3.6Å; W113-W117 AromaticContact CE2-CD1 3.55Å; W113-W117 AromaticContact CE2-NE1 3.38Å; W113-W117 AromaticContact CE3-CD1 3.96Å; W113-W117 AromaticContact CE3-NE1 3.57Å; W113-W117 HydrophobicContact CH2-CZ2 4.25Å; W113-W117 AromaticContact CH2-NE1 3.17Å; W113-W117 AromaticContact CZ2-CD1 3.83Å; W113-W117 AromaticContact CZ2-NE1 3.18Å; W113-W117 AromaticContact CZ3-NE1 3.37Å; W113-W117 AromaticContact NE1-CD1 3.95Å; W113-W117 PolarHBondContact O-N 3.46Å; W113-W117 VanDerWaalsContact O-N 3.1Å; V114-W117 PolarHBondContact O-N 3.45Å; W117-T119 VanDerWaalsContact C-N 3.33Å; W117-T119 PolarHBondContact O-N 3.03Å; W117-L120 HydrophobicContact CE3-CB 4.47Å; W117-L120 HydrophobicContact CE3-CD1 4.21Å; W117-L120 HydrophobicContact CZ3-CD1 4.41Å; W117-L120 PolarHBondContact O-N 3.3Å; W117-L121 WeakPolarHBondContact O-CB 3.34Å; W117-L121 WeakPolarHBondContact O-CG 3.33Å; W117-L121 PolarHBondContact O-N 2.58Å; W117-L255 HydrophobicContact CD2-CD2 4.44Å; W117-L255 HydrophobicContact CH2-CB 4.02Å; W117-L255 HydrophobicContact CH2-CD2 4.04Å; W117-L255 HydrophobicContact CH2-CG 3.73Å; W117-L255 HydrophobicContact CZ2-CB 4.02Å; W117-L255 HydrophobicContact CZ2-CD2 3.45Å; W117-L255 VanDerWaalsContact CZ2-CD2 3.45Å; W117-L255 HydrophobicContact CZ2-CG 3.68Å; W117-L255 HydrophobicContact CZ3-CG 4.35Å; W117-F256 HydrophobicContact CH2-CB 3.98Å; W117-F256 HydrophobicContact CZ3-CB 4.43Å; W117-F256 HydrophobicContact CZ3-CD2 4.44Å; W117-V295 HydrophobicContact CB-CG1 3.87Å; W117-V295 HydrophobicContact CB-CG2 4.29Å; W117-V295 HydrophobicContact CD2-CG1 3.76Å; W117-V295 HydrophobicContact CE3-CG1 3.94Å; W117-V295 HydrophobicContact CG-CG1 3.71Å; W117-V295 HydrophobicContact CG-CG2 4.05Å |
| 118 | E | 98.6 | Very high | 98.1 | Very high | 65 Ų | 65 | 25.7 Ų | 25.7 | 30% | 0.304 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.6 | -171.9 | -162.2 | 146.4 | 0 | 0 | 111.4 | V114 K115 T122 T293 | V114-E118 PolarHBondContact O-N 2.93Å; K115-E118 HydrophobicContact CD-CB 4.35Å; K115-E118 WeakPolarHBondContact CD-OE2 3.35Å; K115-E118 IonicContact NZ-OE1 2.67Å; K115-E118 PolarHBondContact NZ-OE1 2.89Å; K115-E118 IonicContact NZ-OE2 3.77Å; K115-E118 PolarHBondContact NZ-OE2 2.77Å; K115-E118 WeakPolarHBondContact O-CB 3.18Å; K115-E118 PolarHBondContact O-N 2.89Å; E118-T122 WeakPolarHBondContact O-CB 3.27Å; E118-T122 PolarHBondContact O-N 3.38Å; E118-T122 PolarHBondContact O-OG1 3.43Å; E118-T293 HydrophobicContact CG-CG2 3.85Å |
| 119 | T | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 111 | W77 L107 K115 G116 W117 L121 T122 S123 | W77-T119 HydrophobicContact CB-CG2 3.76Å; L107-T119 HydrophobicContact CD1-CG2 4.38Å; L107-T119 HydrophobicContact CD2-CG2 4.24Å; K115-T119 PolarHBondContact O-N 2.95Å; K115-T119 PolarHBondContact O-OG1 3.33Å; K115-T119 VanDerWaalsContact O-OG1 3.14Å; G116-T119 PolarHBondContact O-N 3.3Å; W117-T119 VanDerWaalsContact C-N 3.33Å; W117-T119 PolarHBondContact O-N 3.03Å; T119-L121 PolarHBondContact O-N 2.98Å; T119-T122 PolarHBondContact O-N 3.16Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.01Å; T119-S123 PolarHBondContact O-OG 3.5Å |
| 120 | L | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 179.9 | -74.1 | 167.7 | 0 | 0 | 0 | 113.1 | W77 M91 V104 L107 L108 G116 W117 T122 S123 A124 I260 | W77-L120 HydrophobicContact CH2-CD2 4.23Å; W77-L120 HydrophobicContact CZ3-CD2 3.91Å; M91-L120 HydrophobicContact CE-CD2 4.22Å; V104-L120 HydrophobicContact CG1-CD1 3.85Å; V104-L120 HydrophobicContact CG2-CD2 4.2Å; L107-L120 HydrophobicContact CD2-CD1 4.2Å; L107-L120 HydrophobicContact CD2-CD2 3.6Å; L107-L120 HydrophobicContact CD2-CG 3.54Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; G116-L120 WeakPolarHBondContact O-CG 3.47Å; G116-L120 PolarHBondContact O-N 3.25Å; W117-L120 HydrophobicContact CE3-CB 4.47Å; W117-L120 HydrophobicContact CE3-CD1 4.21Å; W117-L120 HydrophobicContact CZ3-CD1 4.41Å; W117-L120 PolarHBondContact O-N 3.3Å; L120-T122 VanDerWaalsContact C-N 3.33Å; L120-S123 PolarHBondContact O-N 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.43Å; L120-A124 PolarHBondContact O-N 3.45Å; L120-I260 HydrophobicContact CB-CD1 4.48Å |
| 121 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | -178.4 | -79.1 | 163.7 | 0 | 0 | 0 | 112.2 | W117 T119 G125 A259 I260 L267 W271 T293 V295 | W117-L121 WeakPolarHBondContact O-CB 3.34Å; W117-L121 WeakPolarHBondContact O-CG 3.33Å; W117-L121 PolarHBondContact O-N 2.58Å; T119-L121 PolarHBondContact O-N 2.98Å; L121-G125 PolarHBondContact O-N 3.38Å; L121-A259 HydrophobicContact CD2-CB 4.01Å; L121-I260 HydrophobicContact CD2-CD1 4.2Å; L121-I260 HydrophobicContact CD2-CG1 3.76Å; L121-L267 HydrophobicContact CD2-CD2 4.37Å; L121-W271 PolarHBondContact O-NE1 3.44Å; L121-T293 HydrophobicContact CB-CG2 4.4Å; L121-T293 VanDerWaalsContact CD1-O 3.3Å; L121-T293 WeakPolarHBondContact CD1-O 3.23Å; L121-V295 HydrophobicContact CD1-CG1 3.88Å |
| 122 | T | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -49.9 | 174.2 | -51 | 0 | 0 | 0 | 0 | 110.8 | A81 E118 T119 L120 A124 G125 W271 T293 | A81-T122 HydrophobicContact CB-CG2 3.7Å; A81-T122 WeakPolarHBondContact O-CG2 3.26Å; E118-T122 WeakPolarHBondContact O-CB 3.27Å; E118-T122 PolarHBondContact O-N 3.38Å; E118-T122 PolarHBondContact O-OG1 3.43Å; T119-T122 PolarHBondContact O-N 3.16Å; L120-T122 VanDerWaalsContact C-N 3.33Å; T122-A124 PolarHBondContact O-N 2.82Å; T122-G125 PolarHBondContact O-N 3.37Å; T122-G125 VanDerWaalsContact O-N 3.09Å; T122-W271 HydrophobicContact CG2-CH2 3.74Å; T122-W271 HydrophobicContact CG2-CZ2 4.09Å; T122-W271 HydrophobicContact CG2-CZ3 4.03Å; T122-W271 WeakPolarHBondContact OG1-CH2 3.48Å; T122-T293 WeakPolarHBondContact OG1-CG2 3.48Å |
| 123 | S | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -32 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | L80 A81 T119 L120 G125 N126 | L80-S123 WeakPolarHBondContact O-CA 3.45Å; A81-S123 PolarHBondContact N-OG 2.75Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.01Å; T119-S123 PolarHBondContact O-OG 3.5Å; L120-S123 PolarHBondContact O-N 3.23Å; S123-G125 PolarHBondContact O-N 2.85Å; S123-N126 WeakPolarHBondContact O-CB 3.37Å; S123-N126 PolarHBondContact O-N 3.29Å |
| 124 | A | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -30.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L120 T122 N126 L127 I260 L267 | L120-A124 WeakPolarHBondContact O-CB 3.43Å; L120-A124 PolarHBondContact O-N 3.45Å; T122-A124 PolarHBondContact O-N 2.82Å; A124-N126 PolarHBondContact O-N 2.99Å; A124-L127 HydrophobicContact CB-CD1 4.2Å; A124-L127 PolarHBondContact O-N 3.07Å; A124-I260 HydrophobicContact CB-CB 4.42Å; A124-I260 HydrophobicContact CB-CD1 3.89Å; A124-I260 HydrophobicContact CB-CG1 3.81Å; A124-I260 HydrophobicContact CB-CG2 3.75Å; A124-L267 HydrophobicContact CB-CD2 3.66Å |
| 125 | G | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L121 T122 S123 W271 | L121-G125 PolarHBondContact O-N 3.38Å; T122-G125 PolarHBondContact O-N 3.37Å; T122-G125 VanDerWaalsContact O-N 3.09Å; S123-G125 PolarHBondContact O-N 2.85Å; G125-W271 VanDerWaalsContact CA-CD1 3.41Å |
| 126 | N | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -1.2 | -178.8 | -69 | -25.1 | 0 | 0 | 0 | 113.8 | L80 L82 Y85 Q86 D87 A88 L89 S123 A124 | L80-N126 PolarHBondContact O-ND2 2.91Å; L82-N126 PolarHBondContact O-ND2 3.44Å; Y85-N126 WeakPolarHBondContact O-CB 3.28Å; Q86-N126 WeakPolarHBondContact CA-OD1 3.14Å; Q86-N126 PolarHBondContact N-OD1 2.91Å; D87-N126 PolarHBondContact N-O 3.09Å; A88-N126 PolarHBondContact N-O 2.95Å; A88-N126 VanDerWaalsContact N-O 3.1Å; L89-N126 HydrophobicContact CD1-CB 3.75Å; L89-N126 HydrophobicContact CG-CB 4.16Å; L89-N126 PolarHBondContact N-O 2.88Å; S123-N126 WeakPolarHBondContact O-CB 3.37Å; S123-N126 PolarHBondContact O-N 3.29Å; A124-N126 PolarHBondContact O-N 2.99Å |
| 127 | L | 98.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.5 | -177 | -63.5 | 173.8 | 0 | 0 | 0 | 112.3 | L89 M91 A124 I130 L264 K268 | L89-L127 HydrophobicContact CB-CD2 3.94Å; L89-L127 CarbonylContact O-C 3.59Å; L89-L127 WeakPolarHBondContact O-CA 3.29Å; M91-L127 HydrophobicContact CB-CD1 4.28Å; M91-L127 HydrophobicContact CB-CD2 3.71Å; A124-L127 HydrophobicContact CB-CD1 4.2Å; A124-L127 PolarHBondContact O-N 3.07Å; L127-I130 HydrophobicContact CD1-CD1 4.47Å; L127-I130 HydrophobicContact CD1-CG1 3.95Å; L127-L264 HydrophobicContact CB-CD1 4.12Å; L127-L264 HydrophobicContact CD1-CD1 4.31Å; L127-K268 WeakPolarHBondContact O-CD 3.18Å; L127-K268 WeakPolarHBondContact O-CE 3.39Å; L127-K268 PolarHBondContact O-NZ 2.77Å |
| 128 | V | 96.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -52.9 | 165 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | D87 L89 L90 L145 K268 | D87-V128 VanDerWaalsContact C-CG2 3.5Å; D87-V128 WeakPolarHBondContact O-CG2 3.45Å; L89-V128 PolarHBondContact O-N 3.26Å; L90-V128 HydrophobicContact CD2-CB 4.25Å; V128-L145 HydrophobicContact CG1-CD1 4.2Å; V128-L145 HydrophobicContact CG1-CG 4.28Å; V128-K268 PolarHBondContact O-NZ 2.84Å |
| 129 | T | 96.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 31% | 0.307 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 169.4 | -177.7 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | L90 L145 | L90-T129 HydrophobicContact CD2-CG2 3.61Å; T129-L145 HydrophobicContact CG2-CD2 4.3Å |
| 130 | I | 96.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.7 | 173.8 | -64.4 | 160.1 | 0 | 0 | 0 | 108.8 | M91 L127 I260 L264 | M91-I130 CarbonylContact O-C 3.44Å; M91-I130 WeakPolarHBondContact O-CA 3.08Å; L127-I130 HydrophobicContact CD1-CD1 4.47Å; L127-I130 HydrophobicContact CD1-CG1 3.95Å; I130-I260 HydrophobicContact CD1-CG2 3.74Å; I130-L264 HydrophobicContact CD1-CB 4.43Å; I130-L264 HydrophobicContact CD1-CD1 4.41Å; I130-L264 HydrophobicContact CD1-CD2 3.95Å; I130-L264 HydrophobicContact CD1-CG 4.49Å; I130-L264 HydrophobicContact CG1-CD2 3.99Å |
| 131 | S | 94.3 | Very high | 95 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.9 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | M91 S92 R133 K140 | M91-S131 PolarHBondContact O-N 3.12Å; S92-S131 VanDerWaalsContact CA-O 3.26Å; S92-S131 WeakPolarHBondContact CA-O 3.1Å; S92-S131 VanDerWaalsContact CB-O 3.27Å; S92-S131 WeakPolarHBondContact CB-O 3.36Å; S131-R133 WeakPolarHBondContact CB-O 3.46Å; S131-R133 PolarHBondContact O-N 2.95Å; S131-R133 PolarHBondContact OG-O 2.67Å; S131-K140 PolarHBondContact OG-NZ 2.87Å |
| 132 | S | 87 | Confident | 95 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 50% | 0.503 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -71.6 | -17.8 | 176 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | R96 | R96-S132 VanDerWaalsContact CB-O 3.23Å; R96-S132 WeakPolarHBondContact CB-O 3.28Å |
| 133 | R | 86.3 | Confident | 94.9 | Very high | 150 Ų | 150 | 38.7 Ų | 38.7 | 57% | 0.566 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -141.7 | 150.9 | 179.2 | -59.1 | -175.3 | -176.9 | 165.8 | -2.9 | 110.2 | S131 F135 G136 | S131-R133 WeakPolarHBondContact CB-O 3.46Å; S131-R133 PolarHBondContact O-N 2.95Å; S131-R133 PolarHBondContact OG-O 2.67Å; R133-F135 HydrophobicContact CB-CD1 3.92Å; R133-F135 HydrophobicContact CB-CE1 3.75Å; R133-F135 HydrophobicContact CB-CZ 4.34Å; R133-F135 HydrophobicContact CG-CE1 4.14Å; R133-G136 PolarHBondContact O-N 2.76Å |
| 134 | S | 86.8 | Confident | 94.8 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -64.5 | -45.1 | -176.3 | -17.3 | 0 | 0 | 0 | 0 | 112.2 | S97 G136 V137 | S97-S134 WeakPolarHBondContact CB-OG 3.34Å; S97-S134 PolarHBondContact OG-OG 3.31Å; S134-G136 PolarHBondContact O-N 3.17Å; S134-V137 VanDerWaalsContact O-CB 3.28Å; S134-V137 WeakPolarHBondContact O-CB 3.31Å; S134-V137 PolarHBondContact O-N 3.48Å |
| 135 | F | 88.5 | Confident | 94.7 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 39% | 0.386 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -33.8 | 177.6 | 74.3 | -101.4 | 0 | 0 | 0 | 112 | R133 V137 A138 D139 Y155 | R133-F135 HydrophobicContact CB-CD1 3.92Å; R133-F135 HydrophobicContact CB-CE1 3.75Å; R133-F135 HydrophobicContact CB-CZ 4.34Å; R133-F135 HydrophobicContact CG-CE1 4.14Å; F135-V137 PolarHBondContact O-N 2.84Å; F135-A138 WeakPolarHBondContact O-CB 3.42Å; F135-A138 PolarHBondContact O-N 3.49Å; F135-D139 WeakPolarHBondContact CD2-OD2 3.43Å; F135-D139 PolarHBondContact O-N 2.69Å; F135-Y155 HydrophobicContact CB-CD2 4.31Å; F135-Y155 HydrophobicContact CB-CE2 4.18Å |
| 136 | G | 92.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -15.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R133 S134 K140 | R133-G136 PolarHBondContact O-N 2.76Å; S134-G136 PolarHBondContact O-N 3.17Å; G136-K140 WeakPolarHBondContact O-CB 3.49Å; G136-K140 VanDerWaalsContact O-CD 3.26Å; G136-K140 WeakPolarHBondContact O-CD 3.22Å; G136-K140 WeakPolarHBondContact O-CG 3.42Å; G136-K140 PolarHBondContact O-N 3.02Å |
| 137 | V | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -47.5 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L90 S134 F135 K140 I141 V151 | L90-V137 HydrophobicContact CB-CG1 4.06Å; S134-V137 VanDerWaalsContact O-CB 3.28Å; S134-V137 WeakPolarHBondContact O-CB 3.31Å; S134-V137 PolarHBondContact O-N 3.48Å; F135-V137 PolarHBondContact O-N 2.84Å; V137-K140 PolarHBondContact O-N 3.32Å; V137-I141 HydrophobicContact CG1-CD1 3.8Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.16Å; V137-I141 PolarHBondContact O-N 2.84Å; V137-V151 HydrophobicContact CB-CG1 4.12Å; V137-V151 HydrophobicContact CG1-CG1 3.77Å |
| 138 | A | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L60 F135 K140 I141 K142 V151 L159 | L60-A138 HydrophobicContact CD2-CB 3.82Å; F135-A138 WeakPolarHBondContact O-CB 3.42Å; F135-A138 PolarHBondContact O-N 3.49Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 3.38Å; A138-I141 PolarHBondContact O-N 2.87Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.21Å; A138-V151 HydrophobicContact CB-CG1 4.42Å; A138-L159 HydrophobicContact CB-CD1 3.84Å |
| 139 | D | 95.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 177 | -66.7 | -29 | 0 | 0 | 0 | 112.4 | F135 K142 S143 | F135-D139 WeakPolarHBondContact CD2-OD2 3.43Å; F135-D139 PolarHBondContact O-N 2.69Å; D139-K142 WeakPolarHBondContact O-CB 3.41Å; D139-K142 PolarHBondContact O-N 3.14Å; D139-S143 PolarHBondContact O-N 3.25Å; D139-S143 PolarHBondContact O-OG 2.96Å |
| 140 | K | 97.4 | Very high | 94.9 | Very high | 58 Ų | 58 | 40 Ų | 40 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.9 | -39.1 | 179.3 | -75.5 | 170 | -176 | 161.8 | 0 | 112.2 | L90 S131 G136 V137 A138 S143 G144 L145 | L90-K140 HydrophobicContact CD1-CB 3.49Å; L90-K140 VanDerWaalsContact CD1-CB 3.49Å; L90-K140 HydrophobicContact CD2-CB 4.39Å; L90-K140 HydrophobicContact CD2-CD 4.31Å; S131-K140 PolarHBondContact OG-NZ 2.87Å; G136-K140 WeakPolarHBondContact O-CB 3.49Å; G136-K140 VanDerWaalsContact O-CD 3.26Å; G136-K140 WeakPolarHBondContact O-CD 3.22Å; G136-K140 WeakPolarHBondContact O-CG 3.42Å; G136-K140 PolarHBondContact O-N 3.02Å; V137-K140 PolarHBondContact O-N 3.32Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 3.38Å; K140-S143 WeakPolarHBondContact CA-OG 3.36Å; K140-S143 PolarHBondContact O-N 3.14Å; K140-S143 PolarHBondContact O-OG 2.88Å; K140-G144 PolarHBondContact O-N 3.28Å; K140-L145 HydrophobicContact CB-CB 4.31Å; K140-L145 HydrophobicContact CB-CD2 4.12Å; K140-L145 HydrophobicContact CD-CD2 3.94Å; K140-L145 HydrophobicContact CG-CD2 3.87Å; K140-L145 PolarHBondContact O-N 3.02Å; K140-L145 VanDerWaalsContact O-N 3.09Å |
| 141 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 173 | -66.4 | 163.5 | 0 | 0 | 0 | 109.9 | L60 N62 L90 V137 A138 S143 G144 V151 | L60-I141 HydrophobicContact CB-CD1 4.07Å; L60-I141 HydrophobicContact CD2-CB 4.07Å; L60-I141 HydrophobicContact CD2-CD1 4.24Å; L60-I141 HydrophobicContact CD2-CG2 4.04Å; L60-I141 HydrophobicContact CG-CD1 4.43Å; L60-I141 HydrophobicContact CG-CG2 4Å; N62-I141 HydrophobicContact CB-CG2 3.92Å; N62-I141 PolarHBondContact ND2-O 3.33Å; L90-I141 HydrophobicContact CB-CG1 4.31Å; L90-I141 HydrophobicContact CD1-CG1 3.64Å; V137-I141 HydrophobicContact CG1-CD1 3.8Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.16Å; V137-I141 PolarHBondContact O-N 2.84Å; A138-I141 PolarHBondContact O-N 2.87Å; I141-S143 VanDerWaalsContact C-N 3.29Å; I141-S143 PolarHBondContact O-N 3Å; I141-G144 PolarHBondContact O-N 3.18Å; I141-V151 HydrophobicContact CD1-CG1 4.48Å |
| 142 | K | 97 | Very high | 95.1 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.9 | -43.5 | 175.1 | 177.5 | 177.4 | -178.3 | -178.5 | 0 | 112.1 | N62 A138 D139 G144 L159 L165 | N62-K142 PolarHBondContact ND2-O 3.38Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.21Å; D139-K142 WeakPolarHBondContact O-CB 3.41Å; D139-K142 PolarHBondContact O-N 3.14Å; K142-G144 PolarHBondContact O-N 2.84Å; K142-L159 HydrophobicContact CD-CD2 4.07Å; K142-L165 HydrophobicContact CB-CD1 4.14Å; K142-L165 HydrophobicContact CG-CD1 4.12Å |
| 143 | S | 96.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 62% | 0.622 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.3 | 177.9 | 72.6 | 0 | 0 | 0 | 0 | 114.8 | D139 K140 I141 | D139-S143 PolarHBondContact O-N 3.25Å; D139-S143 PolarHBondContact O-OG 2.96Å; K140-S143 WeakPolarHBondContact CA-OG 3.36Å; K140-S143 PolarHBondContact O-N 3.14Å; K140-S143 PolarHBondContact O-OG 2.88Å; I141-S143 VanDerWaalsContact C-N 3.29Å; I141-S143 PolarHBondContact O-N 3Å |
| 144 | G | 96.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 38% | 0.381 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K140 I141 K142 G146 | K140-G144 PolarHBondContact O-N 3.28Å; I141-G144 PolarHBondContact O-N 3.18Å; K142-G144 PolarHBondContact O-N 2.84Å; G144-G146 PolarHBondContact O-N 3.19Å |
| 145 | L | 96.8 | Very high | 96.2 | Very high | 88 Ų | 88 | 31.1 Ų | 31.1 | 46% | 0.461 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -61.1 | -32.5 | 176.2 | 179.9 | 63.6 | 0 | 0 | 0 | 112 | L90 V128 T129 K140 | L90-L145 HydrophobicContact CD2-CD2 4.44Å; V128-L145 HydrophobicContact CG1-CD1 4.2Å; V128-L145 HydrophobicContact CG1-CG 4.28Å; T129-L145 HydrophobicContact CG2-CD2 4.3Å; K140-L145 HydrophobicContact CB-CB 4.31Å; K140-L145 HydrophobicContact CB-CD2 4.12Å; K140-L145 HydrophobicContact CD-CD2 3.94Å; K140-L145 HydrophobicContact CG-CD2 3.87Å; K140-L145 PolarHBondContact O-N 3.02Å; K140-L145 VanDerWaalsContact O-N 3.09Å |
| 146 | G | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -139.3 | 160.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A88 G144 | A88-G146 CarbonylContact O-C 3.54Å; A88-G146 WeakPolarHBondContact O-CA 3.25Å; G144-G146 PolarHBondContact O-N 3.19Å |
| 147 | V | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -85.3 | -32 | -174.1 | -55.5 | 0 | 0 | 0 | 0 | 113 | I61 N62 A65 L66 K69 L71 Y85 A88 L89 | I61-V147 WeakPolarHBondContact CA-O 3.38Å; N62-V147 PolarHBondContact N-O 2.88Å; A65-V147 HydrophobicContact CB-CB 4.47Å; A65-V147 HydrophobicContact CB-CG1 3.99Å; L66-V147 HydrophobicContact CD2-CB 3.61Å; L66-V147 HydrophobicContact CD2-CG1 4.29Å; L66-V147 HydrophobicContact CD2-CG2 3.6Å; L66-V147 HydrophobicContact CG-CB 4.04Å; K69-V147 HydrophobicContact CD-CG1 3.65Å; L71-V147 HydrophobicContact CD1-CG1 4.36Å; L71-V147 HydrophobicContact CD1-CG2 4.26Å; Y85-V147 HydrophobicContact CD1-CG2 4.24Å; A88-V147 HydrophobicContact CB-CG1 4.21Å; A88-V147 HydrophobicContact CB-CG2 3.85Å; A88-V147 PolarHBondContact O-N 3.15Å; L89-V147 HydrophobicContact CD2-CG2 4.16Å |
| 148 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 164.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L60 I61 P74 L89 L90 | L60-A148 WeakPolarHBondContact O-CA 3.32Å; I61-A148 HydrophobicContact CG1-CB 4.06Å; P74-A148 HydrophobicContact CG-CB 3.77Å; L89-A148 WeakPolarHBondContact CA-O 3.45Å; L89-A148 HydrophobicContact CD2-CB 4.18Å; L90-A148 PolarHBondContact N-O 3.25Å |
| 149 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 155.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L59 L60 L90 V151 | L59-G149 WeakPolarHBondContact CA-O 3.31Å; L60-G149 PolarHBondContact N-O 2.85Å; L60-G149 VanDerWaalsContact N-O 3.11Å; L60-G149 PolarHBondContact O-N 2.98Å; L60-G149 VanDerWaalsContact O-N 3.15Å; L90-G149 WeakPolarHBondContact O-CA 3.46Å; G149-V151 PolarHBondContact O-N 2.89Å |
| 150 | P | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 125.1 | 175 | 26.1 | -35.6 | 0 | 0 | 0 | 111.4 | G58 W77 L90 M91 M103 F170 | G58-P150 CarbonylContact O-C 3.46Å; G58-P150 VanDerWaalsContact O-CA 3.29Å; G58-P150 WeakPolarHBondContact O-CA 3.32Å; W77-P150 HydrophobicContact CH2-CB 4.05Å; W77-P150 HydrophobicContact CH2-CG 3.9Å; W77-P150 HydrophobicContact CZ2-CB 4.13Å; W77-P150 HydrophobicContact CZ2-CG 4.49Å; W77-P150 HydrophobicContact CZ3-CG 4.48Å; L90-P150 WeakPolarHBondContact O-CD 3.36Å; M91-P150 HydrophobicContact CB-CG 4.27Å; M91-P150 HydrophobicContact CG-CG 3.84Å; M91-P150 HydrophobicContact SD-CG 4.29Å; M103-P150 HydrophobicContact CE-CB 4.17Å; M103-P150 HydrophobicContact SD-CB 3.94Å; P150-F170 HydrophobicContact CB-CE2 4.32Å; P150-F170 HydrophobicContact CB-CZ 4.06Å |
| 151 | V | 97.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 163.1 | 173.5 | -54.8 | 0 | 0 | 0 | 0 | 111 | G58 L60 V137 A138 I141 G149 A156 F167 | G58-V151 PolarHBondContact N-O 3.38Å; G58-V151 PolarHBondContact O-N 3.02Å; G58-V151 VanDerWaalsContact O-O 3.13Å; L60-V151 HydrophobicContact CB-CG1 4.24Å; L60-V151 HydrophobicContact CB-CG2 3.63Å; V137-V151 HydrophobicContact CB-CG1 4.12Å; V137-V151 HydrophobicContact CG1-CG1 3.77Å; A138-V151 HydrophobicContact CB-CG1 4.42Å; I141-V151 HydrophobicContact CD1-CG1 4.48Å; G149-V151 PolarHBondContact O-N 2.89Å; V151-A156 HydrophobicContact CG2-CB 4.05Å; V151-F167 HydrophobicContact CG2-CD2 3.96Å; V151-F167 HydrophobicContact CG2-CE2 3.54Å |
| 152 | I | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.7 | 166.1 | -169.2 | 172.6 | 0 | 0 | 0 | 109.6 | S55 G56 F57 T99 N154 Y155 A156 | S55-I152 VanDerWaalsContact CB-CD1 3.47Å; G56-I152 WeakPolarHBondContact O-CA 3.47Å; G56-I152 WeakPolarHBondContact O-CG1 3.42Å; F57-I152 HydrophobicContact CD1-CB 4.15Å; F57-I152 HydrophobicContact CD1-CG1 4.12Å; F57-I152 HydrophobicContact CE1-CB 4.27Å; F57-I152 HydrophobicContact CE1-CD1 4.15Å; F57-I152 HydrophobicContact CE1-CG1 4.07Å; T99-I152 HydrophobicContact CG2-CB 3.72Å; T99-I152 HydrophobicContact CG2-CD1 3.94Å; T99-I152 HydrophobicContact CG2-CG1 4.35Å; T99-I152 HydrophobicContact CG2-CG2 3.92Å; I152-N154 WeakPolarHBondContact CD1-OD1 3.39Å; I152-N154 VanDerWaalsContact CG1-OD1 3.28Å; I152-N154 WeakPolarHBondContact CG1-OD1 3.42Å; I152-N154 WeakPolarHBondContact CG2-OD1 3.35Å; I152-N154 PolarHBondContact O-N 3.36Å; I152-Y155 HydrophobicContact CG2-CD2 3.24Å; I152-Y155 HydrophobicContact CG2-CE2 3.42Å; I152-Y155 VanDerWaalsContact CG2-CE2 3.42Å; I152-Y155 HydrophobicContact CG2-CG 3.85Å; I152-Y155 PolarHBondContact O-N 2.86Å; I152-Y155 VanDerWaalsContact O-N 3.12Å; I152-A156 PolarHBondContact O-N 3.04Å |
| 153 | D | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.2 | -35.8 | -172.4 | 63.3 | -1.3 | 0 | 0 | 0 | 113.6 | S55 G56 Y155 A156 N157 F167 Y169 Y216 | S55-D153 WeakPolarHBondContact CA-OD1 3.15Å; S55-D153 WeakPolarHBondContact CB-OD1 3.25Å; S55-D153 PolarHBondContact OG-OD1 2.91Å; G56-D153 PolarHBondContact N-OD1 2.89Å; G56-D153 PolarHBondContact N-OD2 3.5Å; G56-D153 PolarHBondContact O-N 2.62Å; D153-Y155 PolarHBondContact O-N 3.47Å; D153-A156 CarbonylContact O-C 3.16Å; D153-A156 WeakPolarHBondContact O-CA 3.49Å; D153-A156 WeakPolarHBondContact O-CB 3.08Å; D153-A156 PolarHBondContact O-N 2.91Å; D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 PolarHBondContact O-N 2.99Å; D153-N157 PolarHBondContact O-ND2 2.94Å; D153-F167 HydrophobicContact CB-CD1 4.41Å; D153-F167 HydrophobicContact CB-CE1 3.61Å; D153-F167 HydrophobicContact CB-CZ 3.77Å; D153-Y169 HydrophobicContact CB-CE1 3.83Å; D153-Y169 WeakPolarHBondContact CB-OH 3.26Å; D153-Y169 PolarHBondContact OD2-OH 3.36Å; D153-Y169 VanDerWaalsContact OD2-OH 3.07Å; D153-Y216 WeakPolarHBondContact OD2-CE2 3.35Å |
| 154 | N | 94.5 | Very high | 95.8 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -20.9 | -175.4 | 75.3 | -65.8 | 0 | 0 | 0 | 112.6 | S55 I152 L158 G214 K215 | S55-N154 WeakPolarHBondContact OG-CB 3.29Å; S55-N154 PolarHBondContact OG-OD1 3.28Å; I152-N154 WeakPolarHBondContact CD1-OD1 3.39Å; I152-N154 VanDerWaalsContact CG1-OD1 3.28Å; I152-N154 WeakPolarHBondContact CG1-OD1 3.42Å; I152-N154 WeakPolarHBondContact CG2-OD1 3.35Å; I152-N154 PolarHBondContact O-N 3.36Å; N154-L158 VanDerWaalsContact O-CG 3.28Å; N154-L158 WeakPolarHBondContact O-CG 3.49Å; N154-G214 VanDerWaalsContact CA-O 3.26Å; N154-G214 WeakPolarHBondContact CA-O 3.43Å; N154-G214 WeakPolarHBondContact CB-O 3.23Å; N154-K215 HydrophobicContact CB-CG 3.64Å; N154-K215 PolarHBondContact ND2-NZ 3.32Å |
| 155 | Y | 93.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 29% | 0.286 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -79.7 | -38.9 | 167.3 | -61.2 | -29.8 | 0 | 0 | 0 | 111.4 | F135 I152 D153 | F135-Y155 HydrophobicContact CB-CD2 4.31Å; F135-Y155 HydrophobicContact CB-CE2 4.18Å; I152-Y155 HydrophobicContact CG2-CD2 3.24Å; I152-Y155 HydrophobicContact CG2-CE2 3.42Å; I152-Y155 VanDerWaalsContact CG2-CE2 3.42Å; I152-Y155 HydrophobicContact CG2-CG 3.85Å; I152-Y155 PolarHBondContact O-N 2.86Å; I152-Y155 VanDerWaalsContact O-N 3.12Å; D153-Y155 PolarHBondContact O-N 3.47Å |
| 156 | A | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L60 V151 I152 D153 L158 L159 L160 F167 | L60-A156 HydrophobicContact CD1-CB 3.96Å; V151-A156 HydrophobicContact CG2-CB 4.05Å; I152-A156 PolarHBondContact O-N 3.04Å; D153-A156 CarbonylContact O-C 3.16Å; D153-A156 WeakPolarHBondContact O-CA 3.49Å; D153-A156 WeakPolarHBondContact O-CB 3.08Å; D153-A156 PolarHBondContact O-N 2.91Å; A156-L158 PolarHBondContact O-N 3.38Å; A156-L158 VanDerWaalsContact O-N 3.11Å; A156-L159 WeakPolarHBondContact O-CA 3.09Å; A156-L159 WeakPolarHBondContact O-CB 3.45Å; A156-L159 PolarHBondContact O-N 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 3.33Å; A156-L160 VanDerWaalsContact O-N 3.16Å; A156-F167 HydrophobicContact CB-CB 3.87Å; A156-F167 HydrophobicContact CB-CD1 4.44Å; A156-F167 HydrophobicContact CB-CD2 3.28Å; A156-F167 HydrophobicContact CB-CE2 3.87Å; A156-F167 HydrophobicContact CB-CG 3.61Å |
| 157 | N | 92.9 | Very high | 96 | Very high | 38 Ų | 38 | 36 Ų | 36 | 20% | 0.203 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.9 | -30.7 | -177.4 | -71.4 | -22.6 | 0 | 0 | 0 | 113 | D153 L159 G214 | D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 PolarHBondContact O-N 2.99Å; D153-N157 PolarHBondContact O-ND2 2.94Å; N157-L159 PolarHBondContact O-N 3.35Å; N157-G214 PolarHBondContact ND2-O 2.85Å |
| 158 | L | 91.9 | Very high | 96 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 45% | 0.445 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -16 | 175.2 | -59.7 | 176.8 | 0 | 0 | 0 | 113.6 | N154 A156 N212 | N154-L158 VanDerWaalsContact O-CG 3.28Å; N154-L158 WeakPolarHBondContact O-CG 3.49Å; A156-L158 PolarHBondContact O-N 3.38Å; A156-L158 VanDerWaalsContact O-N 3.11Å; L158-N212 HydrophobicContact CD2-CB 4.34Å; L158-N212 WeakPolarHBondContact CD2-O 3.49Å |
| 159 | L | 94.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -14.4 | -178.5 | -54.8 | -178.8 | 0 | 0 | 0 | 112.6 | L60 A138 K142 A156 N157 N161 D162 L165 | L60-L159 HydrophobicContact CD2-CD1 4.01Å; A138-L159 HydrophobicContact CB-CD1 3.84Å; K142-L159 HydrophobicContact CD-CD2 4.07Å; A156-L159 WeakPolarHBondContact O-CA 3.09Å; A156-L159 WeakPolarHBondContact O-CB 3.45Å; A156-L159 PolarHBondContact O-N 3.48Å; N157-L159 PolarHBondContact O-N 3.35Å; L159-N161 PolarHBondContact O-N 3.41Å; L159-N161 VanDerWaalsContact O-N 3.16Å; L159-D162 VanDerWaalsContact O-CB 3.22Å; L159-D162 WeakPolarHBondContact O-CB 3.21Å; L159-D162 PolarHBondContact O-N 3.05Å; L159-L165 HydrophobicContact CB-CD1 3.7Å; L159-L165 HydrophobicContact CD1-CD1 4.38Å |
| 160 | L | 93.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 41 Ų | 41 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4.8 | -173.4 | -66.7 | -177.4 | 0 | 0 | 0 | 115.3 | A156 D162 L165 F167 | A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 3.33Å; A156-L160 VanDerWaalsContact O-N 3.16Å; L160-D162 PolarHBondContact O-N 3.12Å; L160-L165 HydrophobicContact CD2-CB 4.42Å; L160-F167 HydrophobicContact CD1-CB 4.01Å; L160-F167 HydrophobicContact CD2-CB 4.07Å |
| 161 | N | 92.5 | Very high | 95.8 | Very high | 154 Ų | 154 | 45 Ų | 45 | 82% | 0.824 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.5 | 164.2 | -70.9 | -15.8 | 0 | 0 | 0 | 111.8 | L159 P163 | L159-N161 PolarHBondContact O-N 3.41Å; L159-N161 VanDerWaalsContact O-N 3.16Å; N161-P163 WeakPolarHBondContact O-CD 3.45Å |
| 162 | D | 96 | Very high | 95.6 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.2 | 113.4 | 170.6 | -173.2 | -21 | 0 | 0 | 0 | 110.1 | L159 L160 H164 L165 | L159-D162 VanDerWaalsContact O-CB 3.22Å; L159-D162 WeakPolarHBondContact O-CB 3.21Å; L159-D162 PolarHBondContact O-N 3.05Å; L160-D162 PolarHBondContact O-N 3.12Å; D162-H164 PolarHBondContact O-N 3.01Å; D162-H164 VanDerWaalsContact OD1-CB 3.25Å; D162-H164 WeakPolarHBondContact OD1-CB 3.43Å; D162-H164 IonicContact OD1-CD2 2.63Å; D162-H164 PolarHBondContact OD1-CD2 3.09Å; D162-H164 IonicContact OD1-CG 3.3Å; D162-H164 PolarHBondContact OD1-N 2.91Å; D162-L165 HydrophobicContact CB-CB 4.49Å; D162-L165 HydrophobicContact CB-CD1 4.13Å; D162-L165 HydrophobicContact CB-CG 4.16Å; D162-L165 PolarHBondContact O-N 3.24Å |
| 163 | P | 96.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 5.4 | -179.7 | 34.6 | -38.4 | 0 | 0 | 0 | 113.1 | R63 N161 | R63-P163 PolarHBondContact NE-O 3.45Å; R63-P163 PolarHBondContact NH2-O 3.46Å; N161-P163 WeakPolarHBondContact O-CD 3.45Å |
| 164 | H | 97.7 | Very high | 95.5 | Very high | 102 Ų | 102 | 50.8 Ų | 50.8 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.6 | 168.4 | -61.9 | -58.7 | 0 | 0 | 0 | 113.1 | R63 P64 D162 | R63-H164 WeakPolarHBondContact CB-O 3.29Å; R63-H164 PolarHBondContact N-O 3.5Å; P64-H164 HydrophobicContact CG-CB 3.72Å; P64-H164 WeakPolarHBondContact CG-ND1 3.33Å; D162-H164 PolarHBondContact O-N 3.01Å; D162-H164 VanDerWaalsContact OD1-CB 3.25Å; D162-H164 WeakPolarHBondContact OD1-CB 3.43Å; D162-H164 IonicContact OD1-CD2 2.63Å; D162-H164 PolarHBondContact OD1-CD2 3.09Å; D162-H164 IonicContact OD1-CG 3.3Å; D162-H164 PolarHBondContact OD1-N 2.91Å |
| 165 | L | 98.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.7 | 179.2 | -59.1 | -179.4 | 0 | 0 | 0 | 111.7 | L60 I61 N62 R63 K142 L159 L160 D162 | L60-L165 HydrophobicContact CD1-CB 4.37Å; I61-L165 WeakPolarHBondContact O-CA 3.45Å; N62-L165 HydrophobicContact CB-CD2 4.06Å; R63-L165 VanDerWaalsContact CZ-O 3.28Å; R63-L165 PolarHBondContact NH1-O 3.1Å; R63-L165 PolarHBondContact NH2-O 2.86Å; K142-L165 HydrophobicContact CB-CD1 4.14Å; K142-L165 HydrophobicContact CG-CD1 4.12Å; L159-L165 HydrophobicContact CB-CD1 3.7Å; L159-L165 HydrophobicContact CD1-CD1 4.38Å; L160-L165 HydrophobicContact CD2-CB 4.42Å; D162-L165 HydrophobicContact CB-CB 4.49Å; D162-L165 HydrophobicContact CB-CD1 4.13Å; D162-L165 HydrophobicContact CB-CG 4.16Å; D162-L165 PolarHBondContact O-N 3.24Å |
| 166 | S | 98 | Very high | 95.6 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.3 | 169 | 20.4 | 0 | 0 | 0 | 0 | 110 | L60 I61 R63 | L60-S166 WeakPolarHBondContact CA-O 3.45Å; I61-S166 PolarHBondContact N-O 3.43Å; I61-S166 PolarHBondContact O-N 3.05Å; R63-S166 PolarHBondContact NH1-OG 3.28Å |
| 167 | F | 97.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.2 | 168.7 | -175.6 | -104 | 0 | 0 | 0 | 110 | G58 L59 L60 V151 D153 A156 L160 Y169 | G58-F167 VanDerWaalsContact C-CE2 3.49Å; G58-F167 VanDerWaalsContact CA-CZ 3.46Å; L59-F167 WeakPolarHBondContact O-CA 3.49Å; L59-F167 WeakPolarHBondContact O-CD2 3.29Å; L60-F167 HydrophobicContact CB-CD2 4.41Å; V151-F167 HydrophobicContact CG2-CD2 3.96Å; V151-F167 HydrophobicContact CG2-CE2 3.54Å; D153-F167 HydrophobicContact CB-CD1 4.41Å; D153-F167 HydrophobicContact CB-CE1 3.61Å; D153-F167 HydrophobicContact CB-CZ 3.77Å; A156-F167 HydrophobicContact CB-CB 3.87Å; A156-F167 HydrophobicContact CB-CD1 4.44Å; A156-F167 HydrophobicContact CB-CD2 3.28Å; A156-F167 HydrophobicContact CB-CE2 3.87Å; A156-F167 HydrophobicContact CB-CG 3.61Å; L160-F167 HydrophobicContact CD1-CB 4.01Å; L160-F167 HydrophobicContact CD2-CB 4.07Å; F167-Y169 HydrophobicContact CD1-CD2 4.12Å; F167-Y169 AromaticContact CD1-CE2 3.9Å; F167-Y169 HydrophobicContact CD1-CE2 3.9Å; F167-Y169 AromaticContact CE1-CD1 3.77Å; F167-Y169 HydrophobicContact CE1-CD1 3.77Å; F167-Y169 AromaticContact CE1-CD2 3.85Å; F167-Y169 HydrophobicContact CE1-CD2 3.85Å; F167-Y169 AromaticContact CE1-CE1 3.64Å; F167-Y169 HydrophobicContact CE1-CE1 3.64Å; F167-Y169 AromaticContact CE1-CE2 3.7Å; F167-Y169 HydrophobicContact CE1-CE2 3.7Å; F167-Y169 AromaticContact CE1-CG 3.88Å; F167-Y169 HydrophobicContact CE1-CG 3.88Å; F167-Y169 AromaticContact CE1-CZ 3.61Å; F167-Y169 HydrophobicContact CZ-CD1 4.39Å; F167-Y169 HydrophobicContact CZ-CE1 4.39Å |
| 168 | T | 97.8 | Very high | 95.8 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.7 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 108.4 | G58 L59 | G58-T168 CarbonylContact C-O 3.55Å; G58-T168 WeakPolarHBondContact CA-O 3.45Å; L59-T168 PolarHBondContact N-O 3.42Å; L59-T168 PolarHBondContact O-N 3.4Å |
| 169 | Y | 97.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 145.9 | 175.8 | -72.1 | -90.7 | 0 | 0 | 0 | 110.8 | D153 F167 Y216 Q230 L234 | D153-Y169 HydrophobicContact CB-CE1 3.83Å; D153-Y169 WeakPolarHBondContact CB-OH 3.26Å; D153-Y169 PolarHBondContact OD2-OH 3.36Å; D153-Y169 VanDerWaalsContact OD2-OH 3.07Å; F167-Y169 HydrophobicContact CD1-CD2 4.12Å; F167-Y169 AromaticContact CD1-CE2 3.9Å; F167-Y169 HydrophobicContact CD1-CE2 3.9Å; F167-Y169 AromaticContact CE1-CD1 3.77Å; F167-Y169 HydrophobicContact CE1-CD1 3.77Å; F167-Y169 AromaticContact CE1-CD2 3.85Å; F167-Y169 HydrophobicContact CE1-CD2 3.85Å; F167-Y169 AromaticContact CE1-CE1 3.64Å; F167-Y169 HydrophobicContact CE1-CE1 3.64Å; F167-Y169 AromaticContact CE1-CE2 3.7Å; F167-Y169 HydrophobicContact CE1-CE2 3.7Å; F167-Y169 AromaticContact CE1-CG 3.88Å; F167-Y169 HydrophobicContact CE1-CG 3.88Å; F167-Y169 AromaticContact CE1-CZ 3.61Å; F167-Y169 HydrophobicContact CZ-CD1 4.39Å; F167-Y169 HydrophobicContact CZ-CE1 4.39Å; Y169-Y216 WeakPolarHBondContact OH-CE2 3.42Å; Y169-Y216 PolarHBondContact OH-OH 3.32Å; Y169-Q230 HydrophobicContact CD2-CG 4.02Å; Y169-Q230 HydrophobicContact CE1-CG 4.41Å; Y169-Q230 HydrophobicContact CE2-CG 3.39Å; Y169-L234 HydrophobicContact CD1-CD2 4.02Å; Y169-L234 HydrophobicContact CE1-CD1 3.93Å; Y169-L234 HydrophobicContact CE1-CD2 4.03Å; Y169-L234 HydrophobicContact CE1-CG 4.38Å |
| 170 | F | 97.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | trans | -59.7 | 141.9 | 165.6 | -68.8 | -61 | 0 | 0 | 0 | 109.5 | F57 L59 D76 W77 P150 R172 S173 | F57-F170 HydrophobicContact CB-CD2 3.9Å; F57-F170 HydrophobicContact CB-CE2 4.23Å; F57-F170 WeakPolarHBondContact O-CD2 3.48Å; F57-F170 PolarHBondContact O-N 3.36Å; F57-F170 VanDerWaalsContact O-N 3.11Å; L59-F170 HydrophobicContact CD1-CE1 4.18Å; L59-F170 HydrophobicContact CD2-CE1 3.63Å; L59-F170 HydrophobicContact CD2-CZ 3.54Å; L59-F170 HydrophobicContact CG-CD1 4.49Å; L59-F170 HydrophobicContact CG-CE1 3.76Å; L59-F170 HydrophobicContact CG-CZ 4.03Å; D76-F170 VanDerWaalsContact OD1-CD1 3.31Å; D76-F170 WeakPolarHBondContact OD1-CD1 3.46Å; W77-F170 AromaticContact CD1-CD1 3.72Å; W77-F170 AromaticContact CD1-CE1 3.5Å; W77-F170 VanDerWaalsContact CD1-CE1 3.5Å; W77-F170 AromaticContact CD1-CZ 3.88Å; W77-F170 HydrophobicContact CD2-CE1 4.28Å; W77-F170 HydrophobicContact CD2-CZ 4.25Å; W77-F170 AromaticContact CE2-CZ 3.61Å; W77-F170 HydrophobicContact CG-CE1 4.02Å; W77-F170 HydrophobicContact CG-CZ 4.42Å; W77-F170 HydrophobicContact CZ2-CE2 4.27Å; W77-F170 AromaticContact CZ2-CZ 3.98Å; W77-F170 HydrophobicContact CZ2-CZ 3.98Å; W77-F170 AromaticContact NE1-CD1 3.89Å; W77-F170 AromaticContact NE1-CE1 3.49Å; W77-F170 AromaticContact NE1-CE2 3.63Å; W77-F170 AromaticContact NE1-CZ 3.36Å; P150-F170 HydrophobicContact CB-CE2 4.32Å; P150-F170 HydrophobicContact CB-CZ 4.06Å; F170-R172 PolarHBondContact O-N 2.97Å; F170-R172 VanDerWaalsContact O-N 3.07Å; F170-S173 WeakPolarHBondContact O-CB 3.28Å; F170-S173 PolarHBondContact O-N 2.93Å | ||
| 171 | P | 95.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.2 | -179.7 | -28 | 34.9 | 0 | 0 | 0 | 113.7 | D76 | D76-P171 HydrophobicContact CB-CG 4.22Š|
| 172 | R | 93.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 31 Ų | 31 | 45% | 0.449 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 53.5 | 172.2 | -65.1 | -173.2 | -64.7 | 179.3 | -4.2 | 110.7 | Q110 F170 A174 | Q110-R172 PolarHBondContact NE2-O 3.37Å; Q110-R172 PolarHBondContact O-NH1 3.17Å; Q110-R172 PolarHBondContact O-NH2 3.46Å; Q110-R172 VanDerWaalsContact O-NH2 3.12Å; Q110-R172 VanDerWaalsContact OE1-CB 3.24Å; F170-R172 PolarHBondContact O-N 2.97Å; F170-R172 VanDerWaalsContact O-N 3.07Å; R172-A174 PolarHBondContact O-N 3.34Å |
| 173 | S | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 116 | 178.4 | 166.8 | 0 | 0 | 0 | 0 | 111.6 | F57 F170 L234 Q237 | F57-S173 PolarHBondContact N-OG 3.4Å; F57-S173 VanDerWaalsContact O-CB 3.29Å; F57-S173 WeakPolarHBondContact O-CB 3.47Å; F57-S173 PolarHBondContact O-OG 3.12Å; F57-S173 VanDerWaalsContact O-OG 3.1Å; F170-S173 WeakPolarHBondContact O-CB 3.28Å; F170-S173 PolarHBondContact O-N 2.93Å; S173-L234 WeakPolarHBondContact OG-CD2 3.39Å; S173-Q237 WeakPolarHBondContact O-CG 3.3Å |
| 174 | A | 95.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 154 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F57 S106 R172 L240 | F57-A174 HydrophobicContact CD2-CB 4.05Å; F57-A174 HydrophobicContact CE2-CB 4.05Å; S106-A174 VanDerWaalsContact OG-CB 3.31Å; S106-A174 WeakPolarHBondContact OG-CB 3.37Å; R172-A174 PolarHBondContact O-N 3.34Å; A174-L240 HydrophobicContact CB-CD1 3.94Å; A174-L240 HydrophobicContact CB-CD2 3.81Å; A174-L240 HydrophobicContact CB-CG 3.85Å |
| 175 | V | 95.2 | Very high | 96.7 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.5 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I54 L234 | I54-V175 HydrophobicContact CB-CG1 3.82Å; I54-V175 HydrophobicContact CD1-CG1 4.49Å; I54-V175 HydrophobicContact CG2-CG1 4.01Å; V175-L234 VanDerWaalsContact CG2-C 3.42Å; V175-L234 HydrophobicContact CG2-CB 3.93Å; V175-L234 WeakPolarHBondContact CG2-O 3.37Å |
| 176 | S | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 104.3 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | S55 | S55-S176 PolarHBondContact N-O 2.73Å; S55-S176 PolarHBondContact O-N 2.99Å |
| 177 | P | 96.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 154.3 | 172.8 | -18.6 | 31.2 | 0 | 0 | 0 | 112.2 | L40 A51 A53 Y179 | L40-P177 HydrophobicContact CB-CB 4.45Å; L40-P177 HydrophobicContact CB-CG 4.04Å; L40-P177 WeakPolarHBondContact O-CG 3.43Å; A51-P177 HydrophobicContact CB-CB 3.91Å; A53-P177 CarbonylContact O-C 3.49Å; A53-P177 WeakPolarHBondContact O-CA 3.37Å; P177-Y179 HydrophobicContact CB-CD1 4.18Å; P177-Y179 HydrophobicContact CB-CE1 3.59Å; P177-Y179 HydrophobicContact CB-CE2 4.21Å; P177-Y179 WeakPolarHBondContact CD-OH 3.34Å; P177-Y179 HydrophobicContact CG-CE1 3.99Å; P177-Y179 WeakPolarHBondContact CG-OH 3.38Å |
| 178 | T | 96.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.3 | 164 | -54.1 | 0 | 0 | 0 | 0 | 107.2 | L11 A51 V52 A53 K215 | L11-T178 HydrophobicContact CD2-CG2 3.8Å; L11-T178 HydrophobicContact CG-CG2 4.05Å; A51-T178 WeakPolarHBondContact CA-O 3.32Å; V52-T178 HydrophobicContact CG2-CG2 4.38Å; V52-T178 WeakPolarHBondContact CG2-O 3.45Å; V52-T178 PolarHBondContact N-O 3.03Å; A53-T178 PolarHBondContact O-N 2.62Å; T178-K215 WeakPolarHBondContact OG1-CE 3.41Å; T178-K215 PolarHBondContact OG1-NZ 3.36Å |
| 179 | Y | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 150.5 | -175.6 | -53.1 | -75.3 | 0 | 0 | 0 | 111.6 | L11 T12 P15 L18 V41 P42 V50 A51 P177 | L11-Y179 WeakPolarHBondContact CA-O 3.5Å; T12-Y179 PolarHBondContact N-O 2.91Å; T12-Y179 WeakPolarHBondContact O-CA 3.23Å; T12-Y179 WeakPolarHBondContact O-CB 3.39Å; T12-Y179 WeakPolarHBondContact O-CD2 3.38Å; T12-Y179 PolarHBondContact O-N 2.72Å; P15-Y179 HydrophobicContact CB-CE2 3.99Å; P15-Y179 HydrophobicContact CG-CE2 4.21Å; L18-Y179 HydrophobicContact CD1-CD1 4.41Å; L18-Y179 HydrophobicContact CD1-CD2 3.92Å; L18-Y179 HydrophobicContact CD1-CG 3.64Å; V41-Y179 HydrophobicContact CB-CE1 4.49Å; V41-Y179 HydrophobicContact CG1-CE1 4.41Å; V41-Y179 HydrophobicContact CG2-CD1 4.2Å; V41-Y179 HydrophobicContact CG2-CE1 4.18Å; P42-Y179 WeakPolarHBondContact CD-OH 3.38Å; V50-Y179 CarbonylContact O-C 3.54Å; V50-Y179 WeakPolarHBondContact O-CA 3.33Å; A51-Y179 HydrophobicContact CB-CD1 4.42Å; P177-Y179 HydrophobicContact CB-CD1 4.18Å; P177-Y179 HydrophobicContact CB-CE1 3.59Å; P177-Y179 HydrophobicContact CB-CE2 4.21Å; P177-Y179 WeakPolarHBondContact CD-OH 3.34Å; P177-Y179 HydrophobicContact CG-CE1 3.99Å; P177-Y179 WeakPolarHBondContact CG-OH 3.38Å |
| 180 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.8 | 165.8 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | L9 I10 L11 V50 V52 I196 L199 | L9-V180 HydrophobicContact CB-CG1 4.36Å; L9-V180 HydrophobicContact CD1-CG1 4.28Å; I10-V180 VanDerWaalsContact O-CA 3.28Å; I10-V180 WeakPolarHBondContact O-CA 3.35Å; L11-V180 HydrophobicContact CD1-CG2 4.3Å; L11-V180 HydrophobicContact CG-CG2 4.33Å; V50-V180 HydrophobicContact CG2-CB 4.03Å; V50-V180 WeakPolarHBondContact CG2-O 3.42Å; V50-V180 PolarHBondContact N-O 3.12Å; V50-V180 PolarHBondContact O-N 3.12Å; V52-V180 HydrophobicContact CB-CG2 4.4Å; V52-V180 HydrophobicContact CG1-CB 4.31Å; V52-V180 HydrophobicContact CG1-CG2 3.73Å; V52-V180 HydrophobicContact CG2-CG2 3.73Å; V180-I196 HydrophobicContact CB-CD1 4.44Å; V180-I196 HydrophobicContact CB-CG1 4.3Å; V180-I196 HydrophobicContact CG1-CD1 3.83Å; V180-I196 HydrophobicContact CG1-CG1 3.7Å; V180-L199 HydrophobicContact CG2-CD1 4.15Å |
| 181 | A | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 148.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L9 I10 L18 L27 T48 | L9-A181 CarbonylContact C-O 3.6Å; L9-A181 VanDerWaalsContact CA-O 3.26Å; L9-A181 WeakPolarHBondContact CA-O 3.26Å; I10-A181 PolarHBondContact N-O 2.75Å; I10-A181 PolarHBondContact O-N 2.98Å; L18-A181 HydrophobicContact CD2-CB 3.68Å; L27-A181 HydrophobicContact CD1-CB 3.97Å; L27-A181 HydrophobicContact CD2-CB 3.98Å; L27-A181 HydrophobicContact CG-CB 4.49Å; T48-A181 WeakPolarHBondContact O-CB 3.23Å |
| 182 | I | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.8 | 178.1 | -56 | 178 | 0 | 0 | 0 | 108.7 | L27 A28 F30 A192 R193 I196 | L27-I182 CarbonylContact C-O 3.49Å; L27-I182 WeakPolarHBondContact CA-O 3.44Å; A28-I182 HydrophobicContact CB-CB 4.17Å; A28-I182 HydrophobicContact CB-CG2 4.18Å; A28-I182 PolarHBondContact N-O 3.1Å; F30-I182 HydrophobicContact CD2-CD1 3.89Å; F30-I182 HydrophobicContact CE2-CD1 4.27Å; I182-A192 HydrophobicContact CD1-CB 3.97Å; I182-A192 HydrophobicContact CG1-CB 3.97Å; I182-A192 HydrophobicContact CG2-CB 4.09Å; I182-R193 HydrophobicContact CD1-CB 4.09Å; I182-I196 HydrophobicContact CD1-CD1 3.95Å; I182-I196 HydrophobicContact CG1-CD1 3.64Å |
| 183 | L | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | 137.3 | 172.3 | -72.4 | -170.2 | 0 | 0 | 0 | 110.8 | V4 V7 D8 I10 K26 L27 K185 S186 | V4-L183 HydrophobicContact CG1-CD1 4.38Å; V7-L183 HydrophobicContact CB-CD1 3.7Å; V7-L183 HydrophobicContact CG1-CD1 3.75Å; V7-L183 HydrophobicContact CG1-CG 4.46Å; V7-L183 WeakPolarHBondContact O-CD1 3.47Å; D8-L183 PolarHBondContact O-N 2.99Å; I10-L183 HydrophobicContact CD1-CD2 3.57Å; I10-L183 HydrophobicContact CD1-CG 4.2Å; I10-L183 HydrophobicContact CG1-CD2 4.24Å; I10-L183 HydrophobicContact CG1-CG 4.37Å; K26-L183 CarbonylContact O-C 3.45Å; K26-L183 WeakPolarHBondContact O-CA 3.46Å; L27-L183 HydrophobicContact CD2-CD2 3.87Å; L183-K185 PolarHBondContact O-N 3.23Å; L183-K185 VanDerWaalsContact O-N 3.16Å; L183-S186 WeakPolarHBondContact O-CB 3.33Å; L183-S186 PolarHBondContact O-N 3.01Å |
| 184 | R | 95.5 | Very high | 96.2 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.8 | 179.1 | -177.6 | 174.6 | -61.9 | -88.4 | -8.3 | 113.1 | Q25 K26 L27 | Q25-R184 WeakPolarHBondContact O-CD 3.12Å; Q25-R184 PolarHBondContact O-NE 3.42Å; K26-R184 WeakPolarHBondContact O-CB 3.4Å; K26-R184 PolarHBondContact O-N 2.95Å; L27-R184 PolarHBondContact O-NE 3.23Å; L27-R184 PolarHBondContact O-NH2 3.47Å |
| 185 | K | 94.4 | Very high | 96.3 | Very high | 167 Ų | 167 | 50.6 Ų | 50.6 | 73% | 0.726 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 15.1 | 179.5 | -64.8 | -167.8 | 174.6 | -167.6 | 0 | 113.2 | L183 P187 | L183-K185 PolarHBondContact O-N 3.23Å; L183-K185 VanDerWaalsContact O-N 3.16Å; K185-P187 WeakPolarHBondContact O-CD 3.35Å |
| 186 | S | 94.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | trans | -56.1 | 124.9 | 177.7 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | D8 L183 H188 A189 | D8-S186 WeakPolarHBondContact CA-OG 3.42Å; D8-S186 WeakPolarHBondContact CB-OG 3.49Å; D8-S186 PolarHBondContact OD1-OG 3.16Å; L183-S186 WeakPolarHBondContact O-CB 3.33Å; L183-S186 PolarHBondContact O-N 3.01Å; S186-H188 PolarHBondContact O-N 3.37Å; S186-H188 VanDerWaalsContact OG-C 3.29Å; S186-H188 PolarHBondContact OG-N 3.1Å; S186-H188 VanDerWaalsContact OG-N 3.15Å; S186-A189 PolarHBondContact OG-N 3.11Å; S186-A189 VanDerWaalsContact OG-N 3.16Å | ||
| 187 | P | 93.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.6 | 172.1 | 28.5 | -35.1 | 0 | 0 | 0 | 112.7 | D8 K185 | D8-P187 VanDerWaalsContact OD1-CD 3.26Å; D8-P187 WeakPolarHBondContact OD1-CD 3.32Å; K185-P187 WeakPolarHBondContact O-CD 3.35Å |
| 188 | H | 95.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 43.6 | -177 | -51.6 | -54.7 | 0 | 0 | 0 | 113.5 | D8 S186 D190 A191 A192 | D8-H188 WeakPolarHBondContact OD1-CB 3.43Å; D8-H188 IonicContact OD1-CD2 3.45Å; D8-H188 IonicContact OD1-CG 3.66Å; D8-H188 PolarHBondContact OD1-N 3.14Å; D8-H188 VanDerWaalsContact OD1-N 3.1Å; D8-H188 IonicContact OD2-CD2 3.88Å; D8-H188 PolarHBondContact OD2-CD2 2.92Å; S186-H188 PolarHBondContact O-N 3.37Å; S186-H188 VanDerWaalsContact OG-C 3.29Å; S186-H188 PolarHBondContact OG-N 3.1Å; S186-H188 VanDerWaalsContact OG-N 3.15Å; H188-D190 VanDerWaalsContact C-N 3.29Å; H188-D190 PolarHBondContact O-N 3.25Å; H188-D190 VanDerWaalsContact O-N 3.17Å; H188-A191 HydrophobicContact CB-CB 4.13Å; H188-A191 WeakPolarHBondContact O-CB 3.3Å; H188-A191 PolarHBondContact O-N 3.38Å; H188-A192 PolarHBondContact O-N 2.84Å |
| 189 | A | 94.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53 | -40.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S186 A192 R193 | S186-A189 PolarHBondContact OG-N 3.11Å; S186-A189 VanDerWaalsContact OG-N 3.16Å; A189-A192 PolarHBondContact O-N 2.75Å; A189-R193 PolarHBondContact O-N 3.19Å |
| 190 | D | 96 | Very high | 96.6 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 178.1 | -68.6 | -23.7 | 0 | 0 | 0 | 112.8 | H188 R193 R194 | H188-D190 VanDerWaalsContact C-N 3.29Å; H188-D190 PolarHBondContact O-N 3.25Å; H188-D190 VanDerWaalsContact O-N 3.17Å; D190-R193 PolarHBondContact O-N 2.83Å; D190-R193 IonicContact OD1-NH1 3.86Å; D190-R194 WeakPolarHBondContact O-CG 3.45Å; D190-R194 PolarHBondContact O-N 3.16Å; D190-R194 PolarHBondContact O-NH1 2.97Å |
| 191 | A | 96.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H188 R194 F195 | H188-A191 HydrophobicContact CB-CB 4.13Å; H188-A191 WeakPolarHBondContact O-CB 3.3Å; H188-A191 PolarHBondContact O-N 3.38Å; A191-R194 PolarHBondContact O-N 3.16Å; A191-F195 WeakPolarHBondContact O-CB 3.47Å; A191-F195 PolarHBondContact O-N 2.78Å |
| 192 | A | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D8 L9 I182 H188 A189 F195 I196 | D8-A192 HydrophobicContact CB-CB 4.29Å; L9-A192 HydrophobicContact CD2-CB 4.45Å; I182-A192 HydrophobicContact CD1-CB 3.97Å; I182-A192 HydrophobicContact CG1-CB 3.97Å; I182-A192 HydrophobicContact CG2-CB 4.09Å; H188-A192 PolarHBondContact O-N 2.84Å; A189-A192 PolarHBondContact O-N 2.75Å; A192-F195 WeakPolarHBondContact O-CB 3.41Å; A192-F195 PolarHBondContact O-N 3.11Å; A192-I196 WeakPolarHBondContact O-CG1 3.43Å; A192-I196 PolarHBondContact O-N 2.98Å |
| 193 | R | 97.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.4 | 178.8 | 175 | -69.9 | 103.9 | -2 | 111.7 | F30 D32 I182 A189 D190 F195 I196 H197 | F30-R193 HydrophobicContact CE2-CB 4.34Å; F30-R193 HydrophobicContact CE2-CG 3.89Å; D32-R193 IonicContact OD2-NE 2.99Å; I182-R193 HydrophobicContact CD1-CB 4.09Å; A189-R193 PolarHBondContact O-N 3.19Å; D190-R193 PolarHBondContact O-N 2.83Å; D190-R193 IonicContact OD1-NH1 3.86Å; R193-F195 VanDerWaalsContact C-N 3.27Å; R193-F195 PolarHBondContact O-N 3.39Å; R193-I196 PolarHBondContact O-N 2.88Å; R193-H197 WeakPolarHBondContact CG-NE2 3.12Å; R193-H197 PolarHBondContact O-CD2 2.98Å; R193-H197 PolarHBondContact O-N 2.9Å |
| 194 | R | 97.3 | Very high | 96.1 | Very high | 163 Ų | 163 | 71.1 Ų | 71.1 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.8 | -38.5 | 174.9 | -73.5 | -167.2 | -57.1 | -87.1 | 3.6 | 112.5 | D190 A191 H197 Y198 | D190-R194 WeakPolarHBondContact O-CG 3.45Å; D190-R194 PolarHBondContact O-N 3.16Å; D190-R194 PolarHBondContact O-NH1 2.97Å; A191-R194 PolarHBondContact O-N 3.16Å; R194-H197 PolarHBondContact O-N 3.22Å; R194-Y198 WeakPolarHBondContact O-CB 3.48Å; R194-Y198 PolarHBondContact O-N 3.16Å |
| 195 | F | 97.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 39% | 0.386 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.4 | -179.7 | -109 | 0 | 0 | 0 | 112.1 | L9 A191 A192 R193 Y198 L199 | L9-F195 HydrophobicContact CD2-CD1 3.47Å; L9-F195 VanDerWaalsContact CD2-CD1 3.47Å; L9-F195 HydrophobicContact CD2-CE1 3.95Å; L9-F195 HydrophobicContact CD2-CG 4.36Å; A191-F195 WeakPolarHBondContact O-CB 3.47Å; A191-F195 PolarHBondContact O-N 2.78Å; A192-F195 WeakPolarHBondContact O-CB 3.41Å; A192-F195 PolarHBondContact O-N 3.11Å; R193-F195 VanDerWaalsContact C-N 3.27Å; R193-F195 PolarHBondContact O-N 3.39Å; F195-Y198 WeakPolarHBondContact O-CB 3.5Å; F195-Y198 PolarHBondContact O-N 2.95Å; F195-L199 HydrophobicContact CD1-CD1 4.02Å; F195-L199 HydrophobicContact CD1-CG 4.43Å; F195-L199 HydrophobicContact CE1-CD1 3.53Å; F195-L199 HydrophobicContact CE1-CG 4.08Å; F195-L199 HydrophobicContact CE2-CD2 4.35Å; F195-L199 HydrophobicContact CE2-CG 4.39Å; F195-L199 HydrophobicContact CZ-CD1 3.9Å; F195-L199 HydrophobicContact CZ-CD2 4.04Å; F195-L199 HydrophobicContact CZ-CG 4.05Å; F195-L199 WeakPolarHBondContact O-CG 3.49Å; F195-L199 PolarHBondContact O-N 2.89Å |
| 196 | I | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.1 | -69.5 | 173.5 | 0 | 0 | 0 | 111 | F30 V50 V180 I182 A192 R193 Y198 L199 L200 | F30-I196 HydrophobicContact CD2-CD1 3.87Å; F30-I196 HydrophobicContact CE1-CG2 3.91Å; F30-I196 HydrophobicContact CE2-CB 3.84Å; F30-I196 HydrophobicContact CE2-CD1 3.67Å; F30-I196 HydrophobicContact CE2-CG1 4.35Å; F30-I196 HydrophobicContact CE2-CG2 3.68Å; F30-I196 HydrophobicContact CZ-CB 3.9Å; F30-I196 HydrophobicContact CZ-CD1 4.38Å; F30-I196 HydrophobicContact CZ-CG2 3.29Å; V50-I196 HydrophobicContact CG1-CG2 4.41Å; V50-I196 HydrophobicContact CG2-CD1 4.43Å; V50-I196 HydrophobicContact CG2-CG2 3.63Å; V180-I196 HydrophobicContact CB-CD1 4.44Å; V180-I196 HydrophobicContact CB-CG1 4.3Å; V180-I196 HydrophobicContact CG1-CD1 3.83Å; V180-I196 HydrophobicContact CG1-CG1 3.7Å; I182-I196 HydrophobicContact CD1-CD1 3.95Å; I182-I196 HydrophobicContact CG1-CD1 3.64Å; A192-I196 WeakPolarHBondContact O-CG1 3.43Å; A192-I196 PolarHBondContact O-N 2.98Å; R193-I196 PolarHBondContact O-N 2.88Å; I196-Y198 VanDerWaalsContact C-N 3.26Å; I196-Y198 PolarHBondContact O-N 2.95Å; I196-L199 PolarHBondContact O-N 3.09Å; I196-L199 VanDerWaalsContact O-N 3.17Å; I196-L200 HydrophobicContact CG2-CD1 3.65Å; I196-L200 HydrophobicContact CG2-CG 4.39Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.14Å |
| 197 | H | 97.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 175 | -69.3 | -57.3 | 0 | 0 | 0 | 112.6 | D32 R193 R194 L200 S201 | D32-H197 IonicContact OD1-CE1 3.76Å; D32-H197 IonicContact OD2-CE1 3.09Å; D32-H197 PolarHBondContact OD2-CE1 3.35Å; D32-H197 IonicContact OD2-NE2 3.02Å; D32-H197 PolarHBondContact OD2-NE2 2.98Å; R193-H197 WeakPolarHBondContact CG-NE2 3.12Å; R193-H197 PolarHBondContact O-CD2 2.98Å; R193-H197 PolarHBondContact O-N 2.9Å; R194-H197 PolarHBondContact O-N 3.22Å; H197-L200 CarbonylContact O-C 3.46Å; H197-L200 PolarHBondContact O-N 3.14Å; H197-S201 WeakPolarHBondContact O-CB 3.43Å; H197-S201 PolarHBondContact O-N 3Å |
| 198 | Y | 97.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 64.4 Ų | 64.4 | 38% | 0.384 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 174.7 | 175.8 | -98.9 | 0 | 0 | 0 | 111.4 | R194 F195 I196 L200 S201 K203 G204 I207 | R194-Y198 WeakPolarHBondContact O-CB 3.48Å; R194-Y198 PolarHBondContact O-N 3.16Å; F195-Y198 WeakPolarHBondContact O-CB 3.5Å; F195-Y198 PolarHBondContact O-N 2.95Å; I196-Y198 VanDerWaalsContact C-N 3.26Å; I196-Y198 PolarHBondContact O-N 2.95Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.35Å; Y198-S201 WeakPolarHBondContact O-CB 3.47Å; Y198-S201 PolarHBondContact O-N 2.79Å; Y198-S201 PolarHBondContact O-OG 2.66Å; Y198-K203 HydrophobicContact CE2-CD 4.27Å; Y198-G204 VanDerWaalsContact O-CA 3.31Å; Y198-G204 WeakPolarHBondContact O-CA 3.31Å; Y198-I207 WeakPolarHBondContact OH-CD1 3.39Å |
| 199 | L | 96.7 | Very high | 95.6 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -39 | 176.5 | -69.3 | 178.5 | 0 | 0 | 0 | 112 | V52 V180 F195 I196 G204 Q205 | V52-L199 HydrophobicContact CB-CB 4.31Å; V52-L199 HydrophobicContact CB-CD1 4.4Å; V52-L199 HydrophobicContact CG1-CB 4.04Å; V52-L199 HydrophobicContact CG1-CD1 4.03Å; V52-L199 HydrophobicContact CG2-CD1 4.39Å; V180-L199 HydrophobicContact CG2-CD1 4.15Å; F195-L199 HydrophobicContact CD1-CD1 4.02Å; F195-L199 HydrophobicContact CD1-CG 4.43Å; F195-L199 HydrophobicContact CE1-CD1 3.53Å; F195-L199 HydrophobicContact CE1-CG 4.08Å; F195-L199 HydrophobicContact CE2-CD2 4.35Å; F195-L199 HydrophobicContact CE2-CG 4.39Å; F195-L199 HydrophobicContact CZ-CD1 3.9Å; F195-L199 HydrophobicContact CZ-CD2 4.04Å; F195-L199 HydrophobicContact CZ-CG 4.05Å; F195-L199 WeakPolarHBondContact O-CG 3.49Å; F195-L199 PolarHBondContact O-N 2.89Å; I196-L199 PolarHBondContact O-N 3.09Å; I196-L199 VanDerWaalsContact O-N 3.17Å; L199-G204 CarbonylContact O-C 3.55Å; L199-Q205 PolarHBondContact O-N 3.33Å; L199-Q205 PolarHBondContact O-NE2 3.44Å |
| 200 | L | 97.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83.9 | -10.9 | -179.3 | -64.4 | 171.8 | 0 | 0 | 0 | 113.8 | A33 P34 V50 A51 V52 I196 H197 Y198 V218 | A33-L200 HydrophobicContact CB-CD1 4.45Å; P34-L200 HydrophobicContact CG-CB 4.38Å; P34-L200 HydrophobicContact CG-CD1 4.46Å; V50-L200 HydrophobicContact CB-CD1 4.35Å; V50-L200 HydrophobicContact CG2-CD1 4.35Å; A51-L200 WeakPolarHBondContact O-CD2 3.28Å; V52-L200 HydrophobicContact CB-CD2 4.42Å; V52-L200 HydrophobicContact CG1-CD2 3.98Å; V52-L200 HydrophobicContact CG1-CG 4.26Å; I196-L200 HydrophobicContact CG2-CD1 3.65Å; I196-L200 HydrophobicContact CG2-CG 4.39Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.14Å; H197-L200 CarbonylContact O-C 3.46Å; H197-L200 PolarHBondContact O-N 3.14Å; Y198-L200 VanDerWaalsContact C-N 3.27Å; Y198-L200 PolarHBondContact O-N 3.35Å; L200-V218 HydrophobicContact CD2-CG2 4.31Å |
| 201 | S | 96.7 | Very high | 94 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -66.7 | 158.1 | 176.5 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | H197 Y198 K203 G204 Q205 | H197-S201 WeakPolarHBondContact O-CB 3.43Å; H197-S201 PolarHBondContact O-N 3Å; Y198-S201 WeakPolarHBondContact O-CB 3.47Å; Y198-S201 PolarHBondContact O-N 2.79Å; Y198-S201 PolarHBondContact O-OG 2.66Å; S201-K203 PolarHBondContact O-N 3.38Å; S201-K203 VanDerWaalsContact O-N 3.11Å; S201-K203 PolarHBondContact OG-N 3Å; S201-G204 PolarHBondContact O-N 3.46Å; S201-G204 PolarHBondContact OG-N 2.96Å; S201-Q205 WeakPolarHBondContact O-CG 3.19Å; S201-Q205 PolarHBondContact O-N 3.28Å |
| 202 | P | 95 | Very high | 93.1 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.8 | -33.8 | 173.7 | -27.9 | 35.2 | 0 | 0 | 0 | 113.5 | R206 | P202-R206 WeakPolarHBondContact O-CB 3.46Å; P202-R206 PolarHBondContact O-N 3.42Å; P202-R206 VanDerWaalsContact O-N 3.11Å |
| 203 | K | 95.1 | Very high | 92.5 | Very high | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.5 | -46.8 | 175.6 | -176.4 | 177.1 | 179.5 | 179.3 | 0 | 111.5 | Y198 S201 R206 I207 | Y198-K203 HydrophobicContact CE2-CD 4.27Å; S201-K203 PolarHBondContact O-N 3.38Å; S201-K203 VanDerWaalsContact O-N 3.11Å; S201-K203 PolarHBondContact OG-N 3Å; K203-R206 PolarHBondContact O-N 3.1Å; K203-I207 HydrophobicContact CG-CD1 4.12Å; K203-I207 WeakPolarHBondContact O-CG1 3.44Å; K203-I207 PolarHBondContact O-N 3.3Å |
| 204 | G | 95.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y198 L199 S201 R206 I207 L208 | Y198-G204 VanDerWaalsContact O-CA 3.31Å; Y198-G204 WeakPolarHBondContact O-CA 3.31Å; L199-G204 CarbonylContact O-C 3.55Å; S201-G204 PolarHBondContact O-N 3.46Å; S201-G204 PolarHBondContact OG-N 2.96Å; G204-R206 PolarHBondContact O-N 3.38Å; G204-I207 PolarHBondContact O-N 2.83Å; G204-L208 WeakPolarHBondContact O-CG 3.39Å; G204-L208 PolarHBondContact O-N 3.44Å |
| 205 | Q | 95.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.2 | -69 | -63.9 | -62.2 | 0 | 0 | 112.2 | V52 L199 S201 L208 A209 P217 V218 T219 | V52-Q205 PolarHBondContact O-NE2 3.18Å; L199-Q205 PolarHBondContact O-N 3.33Å; L199-Q205 PolarHBondContact O-NE2 3.44Å; S201-Q205 WeakPolarHBondContact O-CG 3.19Å; S201-Q205 PolarHBondContact O-N 3.28Å; Q205-L208 PolarHBondContact O-N 2.92Å; Q205-A209 PolarHBondContact O-N 3.14Å; Q205-P217 HydrophobicContact CB-CB 4.09Å; Q205-V218 VanDerWaalsContact OE1-CG2 3.3Å; Q205-T219 HydrophobicContact CB-CG2 4.46Å; Q205-T219 WeakPolarHBondContact CB-OG1 3.41Å; Q205-T219 HydrophobicContact CG-CG2 3.94Å |
| 206 | R | 92.7 | Very high | 91.9 | Very high | 150 Ų | 150 | 53 Ų | 53 | 57% | 0.566 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 172 | -172.6 | -178.7 | -57.9 | 108.3 | 2.1 | 111.9 | P202 K203 G204 L208 A209 D210 | P202-R206 WeakPolarHBondContact O-CB 3.46Å; P202-R206 PolarHBondContact O-N 3.42Å; P202-R206 VanDerWaalsContact O-N 3.11Å; K203-R206 PolarHBondContact O-N 3.1Å; G204-R206 PolarHBondContact O-N 3.38Å; R206-L208 PolarHBondContact O-N 3.26Å; R206-A209 WeakPolarHBondContact O-CB 3.29Å; R206-A209 PolarHBondContact O-N 2.85Å; R206-D210 WeakPolarHBondContact CG-OD2 3.35Å; R206-D210 PolarHBondContact O-N 3.47Å |
| 207 | I | 92.1 | Very high | 91.8 | Very high | 78 Ų | 78 | 53 Ų | 53 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.2 | -70 | 165 | 0 | 0 | 0 | 111 | Y198 K203 G204 A209 D210 A211 | Y198-I207 WeakPolarHBondContact OH-CD1 3.39Å; K203-I207 HydrophobicContact CG-CD1 4.12Å; K203-I207 WeakPolarHBondContact O-CG1 3.44Å; K203-I207 PolarHBondContact O-N 3.3Å; G204-I207 PolarHBondContact O-N 2.83Å; I207-A209 PolarHBondContact O-N 3.47Å; I207-D210 PolarHBondContact O-N 3.19Å; I207-A211 HydrophobicContact CG2-CB 4.42Å; I207-A211 WeakPolarHBondContact O-CA 3.45Å; I207-A211 WeakPolarHBondContact O-CB 3.01Å; I207-A211 PolarHBondContact O-N 3.28Å |
| 208 | L | 91.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.12 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 177.4 | -74 | 169.5 | 0 | 0 | 0 | 112.2 | V52 G204 Q205 R206 T213 | V52-L208 HydrophobicContact CB-CD1 4.47Å; V52-L208 VanDerWaalsContact O-CD1 3.27Å; V52-L208 WeakPolarHBondContact O-CD1 3.26Å; G204-L208 WeakPolarHBondContact O-CG 3.39Å; G204-L208 PolarHBondContact O-N 3.44Å; Q205-L208 PolarHBondContact O-N 2.92Å; R206-L208 PolarHBondContact O-N 3.26Å; L208-T213 HydrophobicContact CD2-CG2 4.38Å; L208-T213 PolarHBondContact O-OG1 2.88Å |
| 209 | A | 89.2 | Confident | 91.6 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -56 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q205 R206 I207 A211 P217 L221 R227 | Q205-A209 PolarHBondContact O-N 3.14Å; R206-A209 WeakPolarHBondContact O-CB 3.29Å; R206-A209 PolarHBondContact O-N 2.85Å; I207-A209 PolarHBondContact O-N 3.47Å; A209-A211 PolarHBondContact O-N 3.34Å; A209-P217 HydrophobicContact CB-CG 3.98Å; A209-L221 HydrophobicContact CB-CD2 3.64Å; A209-R227 VanDerWaalsContact C-NH2 3.32Å; A209-R227 PolarHBondContact O-NH2 3.47Å |
| 210 | D | 84.5 | Confident | 91.5 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -81 | -17.2 | -167.8 | -60.7 | -23.9 | 0 | 0 | 0 | 113.7 | R206 I207 | R206-D210 WeakPolarHBondContact CG-OD2 3.35Å; R206-D210 PolarHBondContact O-N 3.47Å; I207-D210 PolarHBondContact O-N 3.19Å |
| 211 | A | 72.2 | Confident | 91.3 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74 | 159 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I207 A209 T213 | I207-A211 HydrophobicContact CG2-CB 4.42Å; I207-A211 WeakPolarHBondContact O-CA 3.45Å; I207-A211 WeakPolarHBondContact O-CB 3.01Å; I207-A211 PolarHBondContact O-N 3.28Å; A209-A211 PolarHBondContact O-N 3.34Å; A211-T213 HydrophobicContact CB-CG2 3.83Å; A211-T213 PolarHBondContact O-N 3.47Å |
| 212 | N | 79 | Confident | 91.1 | Very high | 150 Ų | 150 | 53.2 Ų | 53.2 | 80% | 0.802 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 38 | 165.5 | -68.8 | -14.6 | 0 | 0 | 0 | 112.5 | L158 | L158-N212 HydrophobicContact CD2-CB 4.34Å; L158-N212 WeakPolarHBondContact CD2-O 3.49Å |
| 213 | T | 84.1 | Confident | 91 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -21.3 | 170.2 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | L208 A211 K215 | L208-T213 HydrophobicContact CD2-CG2 4.38Å; L208-T213 PolarHBondContact O-OG1 2.88Å; A211-T213 HydrophobicContact CB-CG2 3.83Å; A211-T213 PolarHBondContact O-N 3.47Å; T213-K215 PolarHBondContact O-N 2.53Å; T213-K215 PolarHBondContact OG1-N 3.15Å |
| 214 | G | 88.4 | Confident | 90.8 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | trans | 70.1 | 5.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N154 N157 | N154-G214 VanDerWaalsContact CA-O 3.26Å; N154-G214 WeakPolarHBondContact CA-O 3.43Å; N154-G214 WeakPolarHBondContact CB-O 3.23Å; N157-G214 PolarHBondContact ND2-O 2.85Å | ||
| 215 | K | 94.5 | Very high | 90.6 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 169.7 | -175.8 | -64.2 | 178.5 | 176.9 | -72.7 | 0 | 111.8 | A53 N154 T178 T213 R227 | A53-K215 HydrophobicContact CB-CB 4.01Å; A53-K215 HydrophobicContact CB-CD 3.91Å; N154-K215 HydrophobicContact CB-CG 3.64Å; N154-K215 PolarHBondContact ND2-NZ 3.32Å; T178-K215 WeakPolarHBondContact OG1-CE 3.41Å; T178-K215 PolarHBondContact OG1-NZ 3.36Å; T213-K215 PolarHBondContact O-N 2.53Å; T213-K215 PolarHBondContact OG1-N 3.15Å; K215-R227 PolarHBondContact O-NH1 3.44Å; K215-R227 VanDerWaalsContact O-NH1 3.1Å |
| 216 | Y | 95.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 145.6 | 167 | -66.9 | -90.7 | 0 | 0 | 0 | 110.1 | A53 I54 D153 Y169 L221 R227 Q230 Q231 L234 | A53-Y216 CarbonylContact C-O 3.58Å; A53-Y216 WeakPolarHBondContact CA-O 3.5Å; A53-Y216 VanDerWaalsContact CB-O 3.27Å; A53-Y216 WeakPolarHBondContact CB-O 3.48Å; I54-Y216 VanDerWaalsContact CG1-CB 3.49Å; I54-Y216 HydrophobicContact CG1-CG 4.37Å; I54-Y216 PolarHBondContact N-O 3.33Å; I54-Y216 PolarHBondContact O-N 3.3Å; D153-Y216 WeakPolarHBondContact OD2-CE2 3.35Å; Y169-Y216 WeakPolarHBondContact OH-CE2 3.42Å; Y169-Y216 PolarHBondContact OH-OH 3.32Å; Y216-L221 HydrophobicContact CD1-CD1 3.96Å; Y216-L221 HydrophobicContact CE1-CD1 4.39Å; Y216-R227 HydrophobicContact CE1-CB 3.7Å; Y216-R227 WeakPolarHBondContact CE1-O 3.45Å; Y216-Q230 VanDerWaalsContact OH-CG 3.24Å; Y216-Q230 WeakPolarHBondContact OH-CG 3.47Å; Y216-Q231 HydrophobicContact CD1-CB 3.55Å; Y216-Q231 HydrophobicContact CD1-CG 3.78Å; Y216-Q231 HydrophobicContact CE1-CB 3.81Å; Y216-Q231 HydrophobicContact CG-CB 4.36Å; Y216-Q231 HydrophobicContact CG-CG 4.21Å; Y216-L234 HydrophobicContact CD2-CD1 4.17Å; Y216-L234 HydrophobicContact CE2-CD1 3.97Å |
| 217 | P | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 161.2 | 167.1 | 28.5 | -33.3 | 0 | 0 | 0 | 111.1 | Q205 A209 T219 L221 Q231 | Q205-P217 HydrophobicContact CB-CB 4.09Å; A209-P217 HydrophobicContact CB-CG 3.98Å; P217-T219 VanDerWaalsContact C-N 3.34Å; P217-T219 WeakPolarHBondContact CG-O 3.48Å; P217-L221 HydrophobicContact CG-CD2 3.57Å; P217-L221 HydrophobicContact CG-CG 3.96Å; P217-Q231 PolarHBondContact O-NE2 2.99Å |
| 218 | V | 96.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -76.5 | -26.4 | 169.3 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | L40 A51 I54 L200 Q205 | L40-V218 HydrophobicContact CD1-CB 3.8Å; L40-V218 HydrophobicContact CD1-CG1 3.47Å; L40-V218 VanDerWaalsContact CD1-CG1 3.47Å; A51-V218 HydrophobicContact CB-CG1 4.2Å; A51-V218 WeakPolarHBondContact O-CG1 3.38Å; I54-V218 HydrophobicContact CG2-CG1 4.08Å; L200-V218 HydrophobicContact CD2-CG2 4.31Å; Q205-V218 VanDerWaalsContact OE1-CG2 3.3Å |
| 219 | T | 95.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -77.3 | 143.1 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | Q205 P217 L221 Q231 | Q205-T219 HydrophobicContact CB-CG2 4.46Å; Q205-T219 WeakPolarHBondContact CB-OG1 3.41Å; Q205-T219 HydrophobicContact CG-CG2 3.94Å; P217-T219 VanDerWaalsContact C-N 3.34Å; P217-T219 WeakPolarHBondContact CG-O 3.48Å; T219-L221 PolarHBondContact O-N 3.28Å; T219-Q231 PolarHBondContact O-NE2 2.92Å |
| 220 | P | 94.2 | Very high | 90.8 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 132.9 | 174.8 | -25.8 | 34.7 | 0 | 0 | 0 | 112.2 | ||
| 221 | L | 93.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 152 | 169.1 | -69.8 | 171.2 | 0 | 0 | 0 | 109.9 | A209 Y216 P217 T219 N225 R227 A228 Q231 | A209-L221 HydrophobicContact CB-CD2 3.64Å; Y216-L221 HydrophobicContact CD1-CD1 3.96Å; Y216-L221 HydrophobicContact CE1-CD1 4.39Å; P217-L221 HydrophobicContact CG-CD2 3.57Å; P217-L221 HydrophobicContact CG-CG 3.96Å; T219-L221 PolarHBondContact O-N 3.28Å; L221-N225 HydrophobicContact CB-CB 4.12Å; L221-R227 HydrophobicContact CD1-CB 4.13Å; L221-A228 HydrophobicContact CB-CB 4.02Å; L221-Q231 HydrophobicContact CD1-CB 4.26Å |
| 222 | A | 92.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 59 Ų | 59 | 51% | 0.512 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -61 | 145.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D224 N225 A228 | A222-D224 WeakPolarHBondContact CB-OD1 3.22Å; A222-D224 PolarHBondContact O-N 3.07Å; A222-D224 VanDerWaalsContact O-N 3.13Å; A222-N225 WeakPolarHBondContact O-CB 3.1Å; A222-N225 PolarHBondContact O-N 3.38Å; A222-A228 VanDerWaalsContact O-CB 3.3Å; A222-A228 WeakPolarHBondContact O-CB 3.34Å |
| 223 | A | 91.7 | Very high | 93.2 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 87% | 0.868 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 224 | D | 91 | Very high | 93.8 | Very high | 144 Ų | 144 | 54.1 Ų | 54.1 | 77% | 0.77 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.4 | 175.1 | 64.4 | -25 | 0 | 0 | 0 | 113.4 | A222 | A222-D224 WeakPolarHBondContact CB-OD1 3.22Å; A222-D224 PolarHBondContact O-N 3.07Å; A222-D224 VanDerWaalsContact O-N 3.13Å |
| 225 | N | 91 | Very high | 94.1 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -69.5 | 127.6 | 175 | -169.9 | -63.2 | 0 | 0 | 0 | 109.7 | L221 A222 R227 A228 | L221-N225 HydrophobicContact CB-CB 4.12Å; A222-N225 WeakPolarHBondContact O-CB 3.1Å; A222-N225 PolarHBondContact O-N 3.38Å; N225-R227 PolarHBondContact O-N 2.66Å; N225-R227 PolarHBondContact OD1-N 2.72Å; N225-A228 HydrophobicContact CB-CB 4.27Å; N225-A228 VanDerWaalsContact O-CB 3.24Å; N225-A228 WeakPolarHBondContact O-CB 3.25Å; N225-A228 PolarHBondContact O-N 3.44Å |
| 226 | P | 90 | Very high | 94.1 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | -176.4 | 24.4 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 227 | R | 91.7 | Very high | 94 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.8 | 177.5 | -57.3 | -171.6 | -62.6 | 158.6 | 4.8 | 113.6 | A209 K215 Y216 L221 N225 T229 Q230 Q231 | A209-R227 VanDerWaalsContact C-NH2 3.32Å; A209-R227 PolarHBondContact O-NH2 3.47Å; K215-R227 PolarHBondContact O-NH1 3.44Å; K215-R227 VanDerWaalsContact O-NH1 3.1Å; Y216-R227 HydrophobicContact CE1-CB 3.7Å; Y216-R227 WeakPolarHBondContact CE1-O 3.45Å; L221-R227 HydrophobicContact CD1-CB 4.13Å; N225-R227 PolarHBondContact O-N 2.66Å; N225-R227 PolarHBondContact OD1-N 2.72Å; R227-T229 PolarHBondContact O-N 2.87Å; R227-Q230 PolarHBondContact O-N 3.12Å; R227-Q231 PolarHBondContact O-N 3.11Å |
| 228 | A | 94 | Very high | 93.8 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L221 A222 N225 Q230 Q231 Q232 | L221-A228 HydrophobicContact CB-CB 4.02Å; A222-A228 VanDerWaalsContact O-CB 3.3Å; A222-A228 WeakPolarHBondContact O-CB 3.34Å; N225-A228 HydrophobicContact CB-CB 4.27Å; N225-A228 VanDerWaalsContact O-CB 3.24Å; N225-A228 WeakPolarHBondContact O-CB 3.25Å; N225-A228 PolarHBondContact O-N 3.44Å; A228-Q230 VanDerWaalsContact C-N 3.31Å; A228-Q230 PolarHBondContact O-N 3.01Å; A228-Q231 WeakPolarHBondContact O-CB 3.38Å; A228-Q231 PolarHBondContact O-N 3.27Å; A228-Q232 PolarHBondContact O-N 3.29Å |
| 229 | T | 95.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 73.9 Ų | 73.9 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.5 | -46 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | R227 Q232 L233 | R227-T229 PolarHBondContact O-N 2.87Å; T229-Q232 PolarHBondContact O-N 3.18Å; T229-L233 HydrophobicContact CG2-CD1 4.42Å; T229-L233 WeakPolarHBondContact O-CG 3.49Å; T229-L233 PolarHBondContact O-N 3.46Å |
| 230 | Q | 94.9 | Very high | 93.5 | Very high | 50 Ų | 50 | 72.5 Ų | 72.5 | 23% | 0.234 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 179.8 | -176.1 | 59 | 51.7 | 0 | 0 | 112.1 | Y169 Y216 R227 A228 Q232 L233 L234 | Y169-Q230 HydrophobicContact CD2-CG 4.02Å; Y169-Q230 HydrophobicContact CE1-CG 4.41Å; Y169-Q230 HydrophobicContact CE2-CG 3.39Å; Y216-Q230 VanDerWaalsContact OH-CG 3.24Å; Y216-Q230 WeakPolarHBondContact OH-CG 3.47Å; R227-Q230 PolarHBondContact O-N 3.12Å; A228-Q230 VanDerWaalsContact C-N 3.31Å; A228-Q230 PolarHBondContact O-N 3.01Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 2.77Å; Q230-L233 PolarHBondContact O-N 3.1Å; Q230-L234 WeakPolarHBondContact O-CG 3.29Å; Q230-L234 PolarHBondContact O-N 2.82Å |
| 231 | Q | 95.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.037 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 174.5 | -170.2 | -163.2 | 30.5 | 0 | 0 | 111 | I54 Y216 P217 T219 L221 R227 A228 L233 L234 M235 | I54-Q231 HydrophobicContact CD1-CG 4.05Å; Y216-Q231 HydrophobicContact CD1-CB 3.55Å; Y216-Q231 HydrophobicContact CD1-CG 3.78Å; Y216-Q231 HydrophobicContact CE1-CB 3.81Å; Y216-Q231 HydrophobicContact CG-CB 4.36Å; Y216-Q231 HydrophobicContact CG-CG 4.21Å; P217-Q231 PolarHBondContact O-NE2 2.99Å; T219-Q231 PolarHBondContact O-NE2 2.92Å; L221-Q231 HydrophobicContact CD1-CB 4.26Å; R227-Q231 PolarHBondContact O-N 3.11Å; A228-Q231 WeakPolarHBondContact O-CB 3.38Å; A228-Q231 PolarHBondContact O-N 3.27Å; Q231-L233 VanDerWaalsContact C-N 3.35Å; Q231-L233 PolarHBondContact O-N 3.22Å; Q231-L234 WeakPolarHBondContact O-CB 3.35Å; Q231-L234 PolarHBondContact O-N 2.74Å; Q231-M235 HydrophobicContact CG-CG 4.38Å; Q231-M235 WeakPolarHBondContact O-CB 3.43Å; Q231-M235 VanDerWaalsContact O-CG 3.32Å; Q231-M235 WeakPolarHBondContact O-CG 3.4Å; Q231-M235 PolarHBondContact O-N 3.1Å |
| 232 | Q | 95.7 | Very high | 93.7 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 179.5 | -171.3 | 179.2 | 8 | 0 | 0 | 111.4 | A228 T229 Q230 L234 M235 N236 | A228-Q232 PolarHBondContact O-N 3.29Å; T229-Q232 PolarHBondContact O-N 3.18Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 2.77Å; Q232-L234 VanDerWaalsContact C-N 3.29Å; Q232-L234 PolarHBondContact O-N 2.76Å; Q232-M235 PolarHBondContact O-N 2.99Å; Q232-N236 WeakPolarHBondContact O-CB 3.43Å; Q232-N236 PolarHBondContact O-N 3.37Å; Q232-N236 PolarHBondContact O-ND2 2.96Å |
| 233 | L | 95.8 | Very high | 93.8 | Very high | 91 Ų | 91 | 74.1 Ų | 74.1 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 174.2 | -74.5 | 173.9 | 0 | 0 | 0 | 112.1 | T229 Q230 Q231 Q237 | T229-L233 HydrophobicContact CG2-CD1 4.42Å; T229-L233 WeakPolarHBondContact O-CG 3.49Å; T229-L233 PolarHBondContact O-N 3.46Å; Q230-L233 PolarHBondContact O-N 3.1Å; Q231-L233 VanDerWaalsContact C-N 3.35Å; Q231-L233 PolarHBondContact O-N 3.22Å; L233-Q237 WeakPolarHBondContact O-CG 3.31Å |
| 234 | L | 96 | Very high | 94 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.5 | -52.9 | 174.9 | -71.9 | 175.5 | 0 | 0 | 0 | 111 | Y169 S173 V175 Y216 Q230 Q231 Q232 N236 Q237 | Y169-L234 HydrophobicContact CD1-CD2 4.02Å; Y169-L234 HydrophobicContact CE1-CD1 3.93Å; Y169-L234 HydrophobicContact CE1-CD2 4.03Å; Y169-L234 HydrophobicContact CE1-CG 4.38Å; S173-L234 WeakPolarHBondContact OG-CD2 3.39Å; V175-L234 VanDerWaalsContact CG2-C 3.42Å; V175-L234 HydrophobicContact CG2-CB 3.93Å; V175-L234 WeakPolarHBondContact CG2-O 3.37Å; Y216-L234 HydrophobicContact CD2-CD1 4.17Å; Y216-L234 HydrophobicContact CE2-CD1 3.97Å; Q230-L234 WeakPolarHBondContact O-CG 3.29Å; Q230-L234 PolarHBondContact O-N 2.82Å; Q231-L234 WeakPolarHBondContact O-CB 3.35Å; Q231-L234 PolarHBondContact O-N 2.74Å; Q232-L234 VanDerWaalsContact C-N 3.29Å; Q232-L234 PolarHBondContact O-N 2.76Å; L234-N236 PolarHBondContact O-N 3.19Å; L234-N236 VanDerWaalsContact O-N 3.15Å; L234-Q237 WeakPolarHBondContact O-CB 3.24Å; L234-Q237 WeakPolarHBondContact O-CG 3.14Å; L234-Q237 PolarHBondContact O-N 3.47Å |
| 235 | M | 94.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -24.8 | -177.2 | -70.6 | -67.9 | -81.5 | 0 | 0 | 113.9 | L40 I54 Q231 Q232 Q237 | L40-M235 HydrophobicContact CD1-CE 4.23Å; L40-M235 HydrophobicContact CD1-SD 4.43Å; L40-M235 HydrophobicContact CD2-CE 4.03Å; L40-M235 HydrophobicContact CD2-SD 3.84Å; L40-M235 HydrophobicContact CG-CE 4.44Å; I54-M235 HydrophobicContact CD1-CG 3.6Å; I54-M235 HydrophobicContact CD1-SD 3.32Å; I54-M235 WeakPolarHBondContact CD1-SD 3.29Å; I54-M235 HydrophobicContact CG2-SD 4.3Å; Q231-M235 HydrophobicContact CG-CG 4.38Å; Q231-M235 WeakPolarHBondContact O-CB 3.43Å; Q231-M235 VanDerWaalsContact O-CG 3.32Å; Q231-M235 WeakPolarHBondContact O-CG 3.4Å; Q231-M235 PolarHBondContact O-N 3.1Å; Q232-M235 PolarHBondContact O-N 2.99Å; M235-Q237 VanDerWaalsContact C-N 3.34Å |
| 236 | N | 94.5 | Very high | 94.4 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.4 | 176.7 | -70.8 | -14.2 | 0 | 0 | 0 | 113.9 | Q232 L234 | Q232-N236 WeakPolarHBondContact O-CB 3.43Å; Q232-N236 PolarHBondContact O-N 3.37Å; Q232-N236 PolarHBondContact O-ND2 2.96Å; L234-N236 PolarHBondContact O-N 3.19Å; L234-N236 VanDerWaalsContact O-N 3.15Å |
| 237 | Q | 93.2 | Very high | 94.6 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -72.4 | 143.7 | 177.3 | -64.6 | -72.5 | -25.2 | 0 | 0 | 110.5 | S173 L233 L234 M235 | S173-Q237 WeakPolarHBondContact O-CG 3.3Å; L233-Q237 WeakPolarHBondContact O-CG 3.31Å; L234-Q237 WeakPolarHBondContact O-CB 3.24Å; L234-Q237 WeakPolarHBondContact O-CG 3.14Å; L234-Q237 PolarHBondContact O-N 3.47Å; M235-Q237 VanDerWaalsContact C-N 3.34Å |
| 238 | P | 92.1 | Very high | 94.8 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 136.3 | 172.2 | -23.7 | 33.3 | 0 | 0 | 0 | 111 | ||
| 239 | P | 91.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 77% | 0.766 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 149.4 | 176.3 | 28.5 | -34.7 | 0 | 0 | 0 | 110.5 | ||
| 240 | L | 95.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.8 | 171.6 | -67 | 174.4 | 0 | 0 | 0 | 110.8 | L102 A174 Y242 I245 | L102-L240 HydrophobicContact CD2-CD1 4.29Å; A174-L240 HydrophobicContact CB-CD1 3.94Å; A174-L240 HydrophobicContact CB-CD2 3.81Å; A174-L240 HydrophobicContact CB-CG 3.85Å; L240-Y242 VanDerWaalsContact C-N 3.27Å; L240-Y242 HydrophobicContact CB-CE2 4.32Å; L240-Y242 WeakPolarHBondContact O-CD2 3.26Å; L240-Y242 PolarHBondContact O-N 3.2Å; L240-I245 HydrophobicContact CB-CD1 3.68Å; L240-I245 HydrophobicContact CD1-CD1 3.95Å; L240-I245 HydrophobicContact CG-CD1 4.33Å |
| 241 | N | 96.1 | Very high | 95 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 43% | 0.428 | 29% | 0.294 | S | S | . | . | trans | -73.2 | 83.3 | 170.3 | -175 | -16 | 0 | 0 | 0 | 110 | H243 L244 I245 | N241-H243 PolarHBondContact O-N 3.19Å; N241-H243 WeakPolarHBondContact OD1-CB 3.22Å; N241-H243 PolarHBondContact OD1-N 3.11Å; N241-L244 HydrophobicContact CB-CB 4.17Å; N241-L244 PolarHBondContact O-N 3.17Å; N241-L244 PolarHBondContact OD1-N 3.09Å; N241-I245 WeakPolarHBondContact O-CG1 3.41Å; N241-I245 PolarHBondContact O-N 3.35Å | ||
| 242 | Y | 95.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -31.1 | -179.4 | -71.4 | -74 | 0 | 0 | 0 | 113.2 | P15 P42 L102 L240 L244 I245 L246 | P15-Y242 HydrophobicContact CB-CD1 4.48Å; P15-Y242 HydrophobicContact CB-CE1 4.49Å; P15-Y242 HydrophobicContact CG-CD1 3.95Å; P15-Y242 HydrophobicContact CG-CE1 3.74Å; P42-Y242 HydrophobicContact CB-CD1 4.48Å; P42-Y242 HydrophobicContact CB-CD2 3.96Å; P42-Y242 HydrophobicContact CB-CG 3.85Å; P42-Y242 HydrophobicContact CG-CD1 3.79Å; P42-Y242 HydrophobicContact CG-CD2 3.63Å; P42-Y242 HydrophobicContact CG-CE1 4.07Å; P42-Y242 HydrophobicContact CG-CE2 3.9Å; P42-Y242 HydrophobicContact CG-CG 3.55Å; L102-Y242 HydrophobicContact CD2-CE1 4.28Å; L240-Y242 VanDerWaalsContact C-N 3.27Å; L240-Y242 HydrophobicContact CB-CE2 4.32Å; L240-Y242 WeakPolarHBondContact O-CD2 3.26Å; L240-Y242 PolarHBondContact O-N 3.2Å; Y242-L244 VanDerWaalsContact C-N 3.31Å; Y242-L244 PolarHBondContact O-N 3.47Å; Y242-I245 HydrophobicContact CD1-CD1 4.15Å; Y242-I245 PolarHBondContact O-N 3.11Å; Y242-L246 WeakPolarHBondContact O-CB 3.4Å; Y242-L246 WeakPolarHBondContact O-CG 3.39Å; Y242-L246 PolarHBondContact O-N 3.43Å |
| 243 | H | 94.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 175.2 | -178.2 | 80.5 | 0 | 0 | 0 | 111.6 | N241 K247 | N241-H243 PolarHBondContact O-N 3.19Å; N241-H243 WeakPolarHBondContact OD1-CB 3.22Å; N241-H243 PolarHBondContact OD1-N 3.11Å; H243-K247 VanDerWaalsContact CE1-CE 3.43Å; H243-K247 WeakPolarHBondContact CE1-CE 3.38Å; H243-K247 PolarHBondContact CE1-NZ 3.44Å; H243-K247 VanDerWaalsContact CE1-NZ 3.33Å; H243-K247 WeakPolarHBondContact NE2-CE 3.28Å; H243-K247 PolarHBondContact NE2-NZ 3.13Å; H243-K247 WeakPolarHBondContact O-CG 3.26Å; H243-K247 PolarHBondContact O-N 3.17Å |
| 244 | L | 96.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -47 | 175.1 | -179.1 | 58.9 | 0 | 0 | 0 | 111.6 | N241 Y242 L246 K247 R248 E303 | N241-L244 HydrophobicContact CB-CB 4.17Å; N241-L244 PolarHBondContact O-N 3.17Å; N241-L244 PolarHBondContact OD1-N 3.09Å; Y242-L244 VanDerWaalsContact C-N 3.31Å; Y242-L244 PolarHBondContact O-N 3.47Å; L244-L246 VanDerWaalsContact C-N 3.35Å; L244-L246 PolarHBondContact O-N 2.93Å; L244-K247 PolarHBondContact O-N 2.75Å; L244-R248 HydrophobicContact CD1-CG 4.47Å; L244-R248 WeakPolarHBondContact O-CG 3.43Å; L244-R248 PolarHBondContact O-N 3.34Å; L244-E303 HydrophobicContact CD1-CB 4.4Å; L244-E303 HydrophobicContact CD1-CG 4.07Å; L244-E303 HydrophobicContact CD2-CG 4.49Å |
| 245 | I | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.2 | -51.8 | 179.1 | -68.4 | 170.6 | 0 | 0 | 0 | 110.9 | M16 L102 E105 Q109 L240 N241 Y242 K247 R248 Q249 | M16-I245 HydrophobicContact SD-CG2 3.82Å; L102-I245 HydrophobicContact CD2-CD1 4.03Å; L102-I245 HydrophobicContact CD2-CG2 4.17Å; E105-I245 HydrophobicContact CB-CD1 4.03Å; E105-I245 HydrophobicContact CB-CG1 3.89Å; E105-I245 HydrophobicContact CG-CB 4.43Å; E105-I245 HydrophobicContact CG-CD1 4.39Å; E105-I245 HydrophobicContact CG-CG1 3.78Å; E105-I245 HydrophobicContact CG-CG2 4.19Å; Q109-I245 VanDerWaalsContact NE2-CG1 3.31Å; L240-I245 HydrophobicContact CB-CD1 3.68Å; L240-I245 HydrophobicContact CD1-CD1 3.95Å; L240-I245 HydrophobicContact CG-CD1 4.33Å; N241-I245 WeakPolarHBondContact O-CG1 3.41Å; N241-I245 PolarHBondContact O-N 3.35Å; Y242-I245 HydrophobicContact CD1-CD1 4.15Å; Y242-I245 PolarHBondContact O-N 3.11Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.43Å; I245-R248 PolarHBondContact O-N 3.39Å; I245-Q249 PolarHBondContact O-N 2.95Å |
| 246 | L | 94.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | -178.6 | -69.3 | 171.4 | 0 | 0 | 0 | 111.4 | M16 Q19 S44 Y242 L244 | M16-L246 HydrophobicContact CB-CD2 4.32Å; M16-L246 HydrophobicContact CG-CD2 3.9Å; M16-L246 HydrophobicContact SD-CD2 4.31Å; Q19-L246 HydrophobicContact CB-CD1 4.35Å; Q19-L246 HydrophobicContact CB-CD2 3.74Å; Q19-L246 HydrophobicContact CG-CD1 4Å; Q19-L246 HydrophobicContact CG-CD2 3.93Å; S44-L246 WeakPolarHBondContact OG-CD1 3.28Å; Y242-L246 WeakPolarHBondContact O-CB 3.4Å; Y242-L246 WeakPolarHBondContact O-CG 3.39Å; Y242-L246 PolarHBondContact O-N 3.43Å; L244-L246 VanDerWaalsContact C-N 3.35Å; L244-L246 PolarHBondContact O-N 2.93Å |
| 247 | K | 93.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -39 | 179.6 | -76.9 | -179.3 | 167.7 | 178.7 | 0 | 113.4 | H243 L244 I245 P305 L308 | H243-K247 VanDerWaalsContact CE1-CE 3.43Å; H243-K247 WeakPolarHBondContact CE1-CE 3.38Å; H243-K247 PolarHBondContact CE1-NZ 3.44Å; H243-K247 VanDerWaalsContact CE1-NZ 3.33Å; H243-K247 WeakPolarHBondContact NE2-CE 3.28Å; H243-K247 PolarHBondContact NE2-NZ 3.13Å; H243-K247 WeakPolarHBondContact O-CG 3.26Å; H243-K247 PolarHBondContact O-N 3.17Å; L244-K247 PolarHBondContact O-N 2.75Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.43Å; K247-P305 HydrophobicContact CD-CB 4.36Å; K247-P305 HydrophobicContact CD-CG 4.49Å; K247-L308 HydrophobicContact CB-CD1 3.94Å |
| 248 | R | 96.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -101.8 | 8.6 | -174.7 | 81.3 | -178.7 | 179.2 | -172.7 | -4.5 | 114.8 | E105 L244 I245 R250 L251 V252 L308 | E105-R248 VanDerWaalsContact CD-NE 3.34Å; E105-R248 WeakPolarHBondContact OE1-CG 3.47Å; E105-R248 IonicContact OE1-CZ 3.59Å; E105-R248 IonicContact OE1-NE 3.76Å; E105-R248 PolarHBondContact OE1-NE 3.18Å; E105-R248 IonicContact OE1-NH2 3.35Å; E105-R248 IonicContact OE2-CZ 2.75Å; E105-R248 VanDerWaalsContact OE2-CZ 3.26Å; E105-R248 IonicContact OE2-NE 3.62Å; E105-R248 PolarHBondContact OE2-NE 2.93Å; E105-R248 IonicContact OE2-NH2 3.57Å; E105-R248 PolarHBondContact OE2-NH2 3.39Å; L244-R248 HydrophobicContact CD1-CG 4.47Å; L244-R248 WeakPolarHBondContact O-CG 3.43Å; L244-R248 PolarHBondContact O-N 3.34Å; I245-R248 PolarHBondContact O-N 3.39Å; R248-R250 VanDerWaalsContact C-N 3.35Å; R248-R250 PolarHBondContact O-N 3.34Å; R248-L251 HydrophobicContact CB-CB 4.47Å; R248-L251 HydrophobicContact CB-CD2 4.33Å; R248-L251 WeakPolarHBondContact O-CB 3.44Å; R248-L251 PolarHBondContact O-N 2.67Å; R248-L251 VanDerWaalsContact O-N 3.14Å; R248-V252 HydrophobicContact CG-CG2 4.01Å; R248-V252 PolarHBondContact O-N 3.41Å; R248-L308 HydrophobicContact CB-CD1 3.97Å; R248-L308 HydrophobicContact CB-CD2 3.79Å |
| 249 | Q | 96 | Very high | 96.1 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -49 | -54.9 | -178.9 | -177.3 | -173.9 | 4.2 | 0 | 0 | 112.1 | M16 I245 L251 V252 Q253 | M16-Q249 VanDerWaalsContact CG-CD 3.44Å; M16-Q249 HydrophobicContact CG-CG 4.21Å; I245-Q249 PolarHBondContact O-N 2.95Å; Q249-L251 VanDerWaalsContact C-N 3.35Å; Q249-L251 PolarHBondContact O-N 3.02Å; Q249-V252 PolarHBondContact O-N 2.98Å; Q249-Q253 WeakPolarHBondContact O-CB 2.96Å; Q249-Q253 VanDerWaalsContact O-CG 3.25Å; Q249-Q253 WeakPolarHBondContact O-CG 3.22Å; Q249-Q253 PolarHBondContact O-N 3.27Å |
| 250 | R | 95.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 31 Ų | 31 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.7 | -38.3 | -176.9 | -64 | -178.5 | -176.7 | -164.1 | 3 | 112.5 | R248 R254 F311 D312 | R248-R250 VanDerWaalsContact C-N 3.35Å; R248-R250 PolarHBondContact O-N 3.34Å; R250-R254 WeakPolarHBondContact O-CB 3.4Å; R250-R254 VanDerWaalsContact O-CG 3.26Å; R250-R254 WeakPolarHBondContact O-CG 3.36Å; R250-R254 PolarHBondContact O-N 2.95Å; R250-F311 HydrophobicContact CB-CB 4.11Å; R250-D312 IonicContact CZ-OD1 3.86Å; R250-D312 IonicContact NE-OD1 3.84Å; R250-D312 PolarHBondContact NE-OD1 3.46Å; R250-D312 VanDerWaalsContact NH1-CA 3.33Å; R250-D312 IonicContact NH1-OD1 2.84Å; R250-D312 PolarHBondContact NH1-OD1 2.92Å; R250-D312 IonicContact NH2-OD1 3.02Å |
| 251 | L | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -57.3 | 175.3 | 165 | 66.5 | 0 | 0 | 0 | 110 | W113 R248 Q249 Q253 R254 L255 V297 W307 L308 F311 W324 | W113-L251 HydrophobicContact CH2-CD2 3.75Å; W113-L251 HydrophobicContact CH2-CG 4.16Å; W113-L251 HydrophobicContact CZ2-CD2 4.29Å; R248-L251 HydrophobicContact CB-CB 4.47Å; R248-L251 HydrophobicContact CB-CD2 4.33Å; R248-L251 WeakPolarHBondContact O-CB 3.44Å; R248-L251 PolarHBondContact O-N 2.67Å; R248-L251 VanDerWaalsContact O-N 3.14Å; Q249-L251 VanDerWaalsContact C-N 3.35Å; Q249-L251 PolarHBondContact O-N 3.02Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 2.84Å; L251-R254 PolarHBondContact O-N 2.96Å; L251-L255 WeakPolarHBondContact O-CB 3.43Å; L251-L255 PolarHBondContact O-N 3.32Å; L251-V297 HydrophobicContact CD1-CG1 4.18Å; L251-V297 HydrophobicContact CD1-CG2 4.05Å; L251-V297 HydrophobicContact CD2-CG1 4.32Å; L251-W307 HydrophobicContact CD1-CH2 3.91Å; L251-W307 HydrophobicContact CD1-CZ3 3.95Å; L251-W307 HydrophobicContact CD2-CZ3 3.94Å; L251-W307 HydrophobicContact CG-CZ3 4.49Å; L251-L308 HydrophobicContact CB-CD2 4.05Å; L251-L308 HydrophobicContact CD2-CD2 3.64Å; L251-L308 HydrophobicContact CG-CD2 4.46Å; L251-F311 HydrophobicContact CB-CD2 4.42Å; L251-F311 HydrophobicContact CB-CE2 4.18Å; L251-F311 HydrophobicContact CD1-CE2 4.08Å; L251-F311 HydrophobicContact CD1-CZ 3.89Å; L251-W324 HydrophobicContact CD1-CH2 3.63Å; L251-W324 HydrophobicContact CD1-CZ2 4.08Å |
| 252 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -174.6 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | V104 L108 W113 R248 Q249 F256 | V104-V252 HydrophobicContact CG1-CG1 3.72Å; L108-V252 HydrophobicContact CD1-CG1 4.3Å; L108-V252 HydrophobicContact CD1-CG2 4.03Å; W113-V252 HydrophobicContact CH2-CG2 4.16Å; W113-V252 HydrophobicContact CZ3-CG2 3.95Å; R248-V252 HydrophobicContact CG-CG2 4.01Å; R248-V252 PolarHBondContact O-N 3.41Å; Q249-V252 PolarHBondContact O-N 2.98Å; V252-F256 VanDerWaalsContact O-CB 3.23Å; V252-F256 WeakPolarHBondContact O-CB 3.48Å; V252-F256 PolarHBondContact O-N 3.5Å |
| 253 | Q | 97.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 177 | -72.7 | -179 | -13 | 0 | 0 | 112.3 | P94 Q249 L251 F256 D257 | P94-Q253 HydrophobicContact CB-CG 4.45Å; P94-Q253 PolarHBondContact O-NE2 3.05Å; P94-Q253 VanDerWaalsContact O-NE2 3.1Å; Q249-Q253 WeakPolarHBondContact O-CB 2.96Å; Q249-Q253 VanDerWaalsContact O-CG 3.25Å; Q249-Q253 WeakPolarHBondContact O-CG 3.22Å; Q249-Q253 PolarHBondContact O-N 3.27Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 2.84Å; Q253-F256 PolarHBondContact O-N 3.45Å; Q253-D257 PolarHBondContact O-N 3.48Å |
| 254 | R | 96.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 29 Ų | 29 | 22% | 0.223 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -40.1 | -178.9 | -71.3 | 175.2 | 175.1 | 142.4 | -5 | 112.2 | R250 L251 D257 T258 F311 A317 M321 W324 | R250-R254 WeakPolarHBondContact O-CB 3.4Å; R250-R254 VanDerWaalsContact O-CG 3.26Å; R250-R254 WeakPolarHBondContact O-CG 3.36Å; R250-R254 PolarHBondContact O-N 2.95Å; L251-R254 PolarHBondContact O-N 2.96Å; R254-D257 PolarHBondContact O-N 3.42Å; R254-T258 WeakPolarHBondContact O-CB 2.98Å; R254-T258 PolarHBondContact O-N 3.43Å; R254-T258 PolarHBondContact O-OG1 3.04Å; R254-F311 PolarHBondContact NH1-O 3.48Å; R254-A317 VanDerWaalsContact NH1-CB 3.28Å; R254-M321 HydrophobicContact CB-CG 4.32Å; R254-M321 HydrophobicContact CB-SD 4.37Å; R254-M321 HydrophobicContact CG-CG 4.5Å; R254-M321 HydrophobicContact CG-SD 4Å; R254-W324 HydrophobicContact CB-CZ3 3.97Å |
| 255 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.5 | -176.2 | 56 | 0 | 0 | 0 | 110.4 | W113 W117 L251 D257 T258 A259 V295 P296 V297 W324 F328 | W113-L255 HydrophobicContact CH2-CD2 4.05Å; W113-L255 HydrophobicContact CZ2-CD2 3.72Å; W117-L255 HydrophobicContact CD2-CD2 4.44Å; W117-L255 HydrophobicContact CH2-CB 4.02Å; W117-L255 HydrophobicContact CH2-CD2 4.04Å; W117-L255 HydrophobicContact CH2-CG 3.73Å; W117-L255 HydrophobicContact CZ2-CB 4.02Å; W117-L255 HydrophobicContact CZ2-CD2 3.45Å; W117-L255 VanDerWaalsContact CZ2-CD2 3.45Å; W117-L255 HydrophobicContact CZ2-CG 3.68Å; W117-L255 HydrophobicContact CZ3-CG 4.35Å; L251-L255 WeakPolarHBondContact O-CB 3.43Å; L251-L255 PolarHBondContact O-N 3.32Å; L255-D257 PolarHBondContact O-N 3.48Å; L255-T258 PolarHBondContact O-N 2.87Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.44Å; L255-V295 HydrophobicContact CD2-CB 4.22Å; L255-V295 HydrophobicContact CD2-CG1 4.38Å; L255-P296 HydrophobicContact CD1-CG 4.22Å; L255-V297 HydrophobicContact CD2-CB 4.45Å; L255-V297 HydrophobicContact CD2-CG2 4.37Å; L255-W324 HydrophobicContact CB-CZ3 4.16Å; L255-W324 HydrophobicContact CD1-CD2 4.33Å; L255-W324 HydrophobicContact CD1-CE3 4.17Å; L255-F328 HydrophobicContact CD1-CE2 3.84Å; L255-F328 HydrophobicContact CD1-CZ 3.79Å |
| 256 | F | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.8 | -173.6 | -76.8 | 0 | 0 | 0 | 111.3 | M91 P94 W117 V252 Q253 T258 A259 I260 S261 | M91-F256 HydrophobicContact CE-CE2 4.11Å; M91-F256 HydrophobicContact CE-CZ 4.36Å; M91-F256 HydrophobicContact SD-CE2 4.49Å; M91-F256 HydrophobicContact SD-CZ 4.37Å; P94-F256 VanDerWaalsContact CD-CG 3.45Å; P94-F256 HydrophobicContact CG-CB 3.59Å; P94-F256 HydrophobicContact CG-CD1 3.9Å; P94-F256 HydrophobicContact CG-CD2 3.81Å; P94-F256 HydrophobicContact CG-CE2 4.46Å; P94-F256 HydrophobicContact CG-CG 3.48Å; P94-F256 VanDerWaalsContact CG-CG 3.48Å; W117-F256 HydrophobicContact CH2-CB 3.98Å; W117-F256 HydrophobicContact CZ3-CB 4.43Å; W117-F256 HydrophobicContact CZ3-CD2 4.44Å; V252-F256 VanDerWaalsContact O-CB 3.23Å; V252-F256 WeakPolarHBondContact O-CB 3.48Å; V252-F256 PolarHBondContact O-N 3.5Å; Q253-F256 PolarHBondContact O-N 3.45Å; F256-T258 VanDerWaalsContact C-N 3.3Å; F256-T258 PolarHBondContact O-N 3.24Å; F256-A259 PolarHBondContact O-N 3.48Å; F256-I260 HydrophobicContact CD1-CB 4.25Å; F256-I260 HydrophobicContact CD2-CD1 3.76Å; F256-I260 HydrophobicContact CE1-CB 4.02Å; F256-I260 HydrophobicContact CE1-CD1 4.44Å; F256-I260 HydrophobicContact CE1-CG2 3.88Å; F256-I260 HydrophobicContact CE2-CD1 3.55Å; F256-I260 HydrophobicContact CG-CD1 4.3Å; F256-I260 HydrophobicContact CZ-CB 4.23Å; F256-I260 HydrophobicContact CZ-CD1 3.93Å; F256-I260 HydrophobicContact CZ-CG2 3.92Å; F256-I260 WeakPolarHBondContact O-CA 3.24Å; F256-I260 WeakPolarHBondContact O-CB 3.35Å; F256-I260 PolarHBondContact O-N 2.95Å; F256-S261 WeakPolarHBondContact CD1-OG 3.43Å; F256-S261 PolarHBondContact O-N 3.02Å |
| 257 | D | 97.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | -178.5 | -80.7 | -18.2 | 0 | 0 | 0 | 112.2 | S93 S95 Q253 R254 L255 S261 F262 | S93-D257 PolarHBondContact OG-OD1 2.82Å; S95-D257 WeakPolarHBondContact CB-OD2 3.4Å; S95-D257 PolarHBondContact OG-OD1 3.11Å; S95-D257 VanDerWaalsContact OG-OD1 3.12Å; S95-D257 PolarHBondContact OG-OD2 3.27Å; Q253-D257 PolarHBondContact O-N 3.48Å; R254-D257 PolarHBondContact O-N 3.42Å; L255-D257 PolarHBondContact O-N 3.48Å; D257-S261 PolarHBondContact O-N 3.47Å; D257-S261 VanDerWaalsContact O-N 3.16Å; D257-S261 VanDerWaalsContact OD1-CB 3.29Å; D257-S261 WeakPolarHBondContact OD1-CB 3.19Å; D257-S261 PolarHBondContact OD1-OG 3.01Å; D257-F262 HydrophobicContact CB-CD2 4.26Å; D257-F262 HydrophobicContact CB-CE1 4.23Å; D257-F262 HydrophobicContact CB-CE2 3.74Å; D257-F262 HydrophobicContact CB-CZ 3.73Å; D257-F262 WeakPolarHBondContact O-CB 3.21Å; D257-F262 VanDerWaalsContact O-CD2 3.29Å; D257-F262 WeakPolarHBondContact O-CD2 3.4Å; D257-F262 VanDerWaalsContact O-CG 3.29Å; D257-F262 WeakPolarHBondContact O-CG 3.42Å; D257-F262 PolarHBondContact O-N 2.85Å |
| 258 | T | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.3 | -42.2 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | R254 L255 F256 R263 W324 Q325 F328 | R254-T258 WeakPolarHBondContact O-CB 2.98Å; R254-T258 PolarHBondContact O-N 3.43Å; R254-T258 PolarHBondContact O-OG1 3.04Å; L255-T258 PolarHBondContact O-N 2.87Å; F256-T258 VanDerWaalsContact C-N 3.3Å; F256-T258 PolarHBondContact O-N 3.24Å; T258-R263 PolarHBondContact O-NE 2.61Å; T258-W324 HydrophobicContact CG2-CB 3.84Å; T258-Q325 HydrophobicContact CG2-CB 4.32Å; T258-Q325 HydrophobicContact CG2-CG 3.59Å; T258-F328 HydrophobicContact CG2-CD2 4Å; T258-F328 HydrophobicContact CG2-CE2 4.25Å |
| 259 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.6 | -40.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L121 L255 F256 R263 F328 | L121-A259 HydrophobicContact CD2-CB 4.01Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.44Å; F256-A259 PolarHBondContact O-N 3.48Å; A259-R263 PolarHBondContact O-NH2 2.96Å; A259-R263 VanDerWaalsContact O-NH2 3.1Å; A259-F328 HydrophobicContact CB-CD1 4.4Å; A259-F328 HydrophobicContact CB-CD2 4.3Å; A259-F328 HydrophobicContact CB-CE1 3.71Å; A259-F328 HydrophobicContact CB-CE2 3.61Å; A259-F328 HydrophobicContact CB-CZ 3.28Å |
| 260 | I | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -62.7 | -167.7 | -63.8 | 164.5 | 0 | 0 | 0 | 111.4 | L120 L121 A124 I130 F256 F262 R263 L264 L267 | L120-I260 HydrophobicContact CB-CD1 4.48Å; L121-I260 HydrophobicContact CD2-CD1 4.2Å; L121-I260 HydrophobicContact CD2-CG1 3.76Å; A124-I260 HydrophobicContact CB-CB 4.42Å; A124-I260 HydrophobicContact CB-CD1 3.89Å; A124-I260 HydrophobicContact CB-CG1 3.81Å; A124-I260 HydrophobicContact CB-CG2 3.75Å; I130-I260 HydrophobicContact CD1-CG2 3.74Å; F256-I260 HydrophobicContact CD1-CB 4.25Å; F256-I260 HydrophobicContact CD2-CD1 3.76Å; F256-I260 HydrophobicContact CE1-CB 4.02Å; F256-I260 HydrophobicContact CE1-CD1 4.44Å; F256-I260 HydrophobicContact CE1-CG2 3.88Å; F256-I260 HydrophobicContact CE2-CD1 3.55Å; F256-I260 HydrophobicContact CG-CD1 4.3Å; F256-I260 HydrophobicContact CZ-CB 4.23Å; F256-I260 HydrophobicContact CZ-CD1 3.93Å; F256-I260 HydrophobicContact CZ-CG2 3.92Å; F256-I260 WeakPolarHBondContact O-CA 3.24Å; F256-I260 WeakPolarHBondContact O-CB 3.35Å; F256-I260 PolarHBondContact O-N 2.95Å; I260-F262 PolarHBondContact O-N 2.86Å; I260-R263 CarbonylContact O-C 3.56Å; I260-R263 PolarHBondContact O-N 2.72Å; I260-L264 WeakPolarHBondContact O-CA 3.34Å; I260-L264 PolarHBondContact O-N 3.45Å; I260-L267 HydrophobicContact CG1-CD2 4.14Å |
| 261 | S | 96.9 | Very high | 97 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 22% | 0.217 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -59.9 | -49.9 | -167.3 | -55.3 | 0 | 0 | 0 | 0 | 113.6 | F256 D257 R263 | F256-S261 WeakPolarHBondContact CD1-OG 3.43Å; F256-S261 PolarHBondContact O-N 3.02Å; D257-S261 PolarHBondContact O-N 3.47Å; D257-S261 VanDerWaalsContact O-N 3.16Å; D257-S261 VanDerWaalsContact OD1-CB 3.29Å; D257-S261 WeakPolarHBondContact OD1-CB 3.19Å; D257-S261 PolarHBondContact OD1-OG 3.01Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 PolarHBondContact O-N 3.12Å |
| 262 | F | 95.7 | Very high | 97 | Very high | 118 Ų | 118 | 32.4 Ų | 32.4 | 52% | 0.518 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -76.6 | -13.3 | -174.9 | -58.6 | -31.9 | 0 | 0 | 0 | 113.8 | D257 I260 M321 | D257-F262 HydrophobicContact CB-CD2 4.26Å; D257-F262 HydrophobicContact CB-CE1 4.23Å; D257-F262 HydrophobicContact CB-CE2 3.74Å; D257-F262 HydrophobicContact CB-CZ 3.73Å; D257-F262 WeakPolarHBondContact O-CB 3.21Å; D257-F262 VanDerWaalsContact O-CD2 3.29Å; D257-F262 WeakPolarHBondContact O-CD2 3.4Å; D257-F262 VanDerWaalsContact O-CG 3.29Å; D257-F262 WeakPolarHBondContact O-CG 3.42Å; D257-F262 PolarHBondContact O-N 2.85Å; I260-F262 PolarHBondContact O-N 2.86Å; F262-M321 HydrophobicContact CE2-CE 4.18Å |
| 263 | R | 95.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -131.2 | 22.7 | -172.7 | -52.5 | -174.3 | -52.2 | 121.3 | 28.7 | 112.7 | T258 A259 I260 S261 A265 Q266 L267 F328 | T258-R263 PolarHBondContact O-NE 2.61Å; A259-R263 PolarHBondContact O-NH2 2.96Å; A259-R263 VanDerWaalsContact O-NH2 3.1Å; I260-R263 CarbonylContact O-C 3.56Å; I260-R263 PolarHBondContact O-N 2.72Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 PolarHBondContact O-N 3.12Å; R263-A265 VanDerWaalsContact C-N 3.29Å; R263-A265 PolarHBondContact O-N 3.36Å; R263-Q266 VanDerWaalsContact C-OE1 3.26Å; R263-Q266 VanDerWaalsContact CA-OE1 3.24Å; R263-Q266 PolarHBondContact O-N 3.1Å; R263-Q266 VanDerWaalsContact O-N 3.14Å; R263-Q266 PolarHBondContact O-OE1 2.74Å; R263-L267 WeakPolarHBondContact O-CB 3.44Å; R263-L267 PolarHBondContact O-N 3.03Å; R263-F328 PolarHBondContact NH1-O 3.34Å; R263-F328 VanDerWaalsContact NH1-O 3.13Å |
| 264 | L | 97.3 | Very high | 97 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -43.8 | -173.3 | 178.1 | 63 | 0 | 0 | 0 | 111.9 | L127 I130 I260 Q266 L267 K268 | L127-L264 HydrophobicContact CB-CD1 4.12Å; L127-L264 HydrophobicContact CD1-CD1 4.31Å; I130-L264 HydrophobicContact CD1-CB 4.43Å; I130-L264 HydrophobicContact CD1-CD1 4.41Å; I130-L264 HydrophobicContact CD1-CD2 3.95Å; I130-L264 HydrophobicContact CD1-CG 4.49Å; I130-L264 HydrophobicContact CG1-CD2 3.99Å; I260-L264 WeakPolarHBondContact O-CA 3.34Å; I260-L264 PolarHBondContact O-N 3.45Å; L264-Q266 PolarHBondContact O-N 2.85Å; L264-L267 PolarHBondContact O-N 2.78Å; L264-K268 HydrophobicContact CD1-CD 3.97Å; L264-K268 HydrophobicContact CD1-CG 4.09Å; L264-K268 HydrophobicContact CD2-CD 4.48Å; L264-K268 HydrophobicContact CG-CD 3.79Å; L264-K268 HydrophobicContact CG-CG 4.37Å; L264-K268 WeakPolarHBondContact O-CB 3.48Å; L264-K268 WeakPolarHBondContact O-CD 3.41Å; L264-K268 WeakPolarHBondContact O-CG 3.42Å; L264-K268 PolarHBondContact O-N 2.94Å |
| 265 | A | 96.5 | Very high | 97 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 47% | 0.471 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59 | -49.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R263 L267 K268 D269 | R263-A265 VanDerWaalsContact C-N 3.29Å; R263-A265 PolarHBondContact O-N 3.36Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.2Å; A265-K268 PolarHBondContact O-N 3.07Å; A265-D269 PolarHBondContact O-N 3Å; A265-D269 VanDerWaalsContact O-N 3.07Å |
| 266 | Q | 95.9 | Very high | 96.9 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 44% | 0.444 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.5 | -65.2 | 84.4 | -1.8 | 0 | 0 | 111.5 | R263 L264 D269 A270 Q332 | R263-Q266 VanDerWaalsContact C-OE1 3.26Å; R263-Q266 VanDerWaalsContact CA-OE1 3.24Å; R263-Q266 PolarHBondContact O-N 3.1Å; R263-Q266 VanDerWaalsContact O-N 3.14Å; R263-Q266 PolarHBondContact O-OE1 2.74Å; L264-Q266 PolarHBondContact O-N 2.85Å; Q266-D269 PolarHBondContact O-N 2.98Å; Q266-A270 PolarHBondContact O-N 3.03Å; Q266-A270 VanDerWaalsContact O-N 3.07Å; Q266-Q332 VanDerWaalsContact C-NE2 3.31Å; Q266-Q332 PolarHBondContact O-NE2 2.66Å |
| 267 | L | 95.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 178.2 | -175.4 | 60.2 | 0 | 0 | 0 | 111.3 | L121 A124 I260 R263 L264 A265 D269 A270 W271 | L121-L267 HydrophobicContact CD2-CD2 4.37Å; A124-L267 HydrophobicContact CB-CD2 3.66Å; I260-L267 HydrophobicContact CG1-CD2 4.14Å; R263-L267 WeakPolarHBondContact O-CB 3.44Å; R263-L267 PolarHBondContact O-N 3.03Å; L264-L267 PolarHBondContact O-N 2.78Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-L267 PolarHBondContact O-N 3.2Å; L267-D269 PolarHBondContact O-N 3.3Å; L267-A270 PolarHBondContact O-N 3.16Å; L267-W271 PolarHBondContact O-N 3.15Å |
| 268 | K | 96.9 | Very high | 97 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.1 | -69.9 | 165.9 | 60.8 | 155.1 | 0 | 112.1 | D87 L127 V128 L264 A265 W271 R272 | D87-K268 WeakPolarHBondContact OD1-CE 3.47Å; D87-K268 IonicContact OD1-NZ 3.98Å; D87-K268 PolarHBondContact OD1-NZ 2.81Å; L127-K268 WeakPolarHBondContact O-CD 3.18Å; L127-K268 WeakPolarHBondContact O-CE 3.39Å; L127-K268 PolarHBondContact O-NZ 2.77Å; V128-K268 PolarHBondContact O-NZ 2.84Å; L264-K268 HydrophobicContact CD1-CD 3.97Å; L264-K268 HydrophobicContact CD1-CG 4.09Å; L264-K268 HydrophobicContact CD2-CD 4.48Å; L264-K268 HydrophobicContact CG-CD 3.79Å; L264-K268 HydrophobicContact CG-CG 4.37Å; L264-K268 WeakPolarHBondContact O-CB 3.48Å; L264-K268 WeakPolarHBondContact O-CD 3.41Å; L264-K268 WeakPolarHBondContact O-CG 3.42Å; L264-K268 PolarHBondContact O-N 2.94Å; A265-K268 PolarHBondContact O-N 3.07Å; K268-W271 PolarHBondContact O-N 3.07Å; K268-R272 WeakPolarHBondContact O-CB 3.21Å; K268-R272 PolarHBondContact O-N 3.35Å |
| 269 | D | 96.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 47% | 0.465 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.6 | -68.2 | -20.8 | 0 | 0 | 0 | 111.9 | A265 Q266 L267 R272 A273 | A265-D269 PolarHBondContact O-N 3Å; A265-D269 VanDerWaalsContact O-N 3.07Å; Q266-D269 PolarHBondContact O-N 2.98Å; L267-D269 PolarHBondContact O-N 3.3Å; D269-R272 PolarHBondContact O-N 3.24Å; D269-R272 IonicContact OD1-CZ 2.73Å; D269-R272 IonicContact OD1-NH1 2.93Å; D269-R272 PolarHBondContact OD1-NH1 2.83Å; D269-A273 WeakPolarHBondContact O-CB 3.45Å; D269-A273 PolarHBondContact O-N 2.78Å |
| 270 | A | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q266 L267 A273 L274 L292 Q332 I336 | Q266-A270 PolarHBondContact O-N 3.03Å; Q266-A270 VanDerWaalsContact O-N 3.07Å; L267-A270 PolarHBondContact O-N 3.16Å; A270-A273 PolarHBondContact O-N 3.22Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 PolarHBondContact O-N 3.1Å; A270-L292 HydrophobicContact CB-CD1 4.09Å; A270-L292 HydrophobicContact CB-CD2 3.86Å; A270-Q332 HydrophobicContact CB-CG 4.11Å; A270-I336 HydrophobicContact CB-CD1 4.14Å |
| 271 | W | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.6 | -80.8 | 113.3 | 0 | 0 | 0 | 112.5 | L121 T122 G125 L267 K268 A273 L274 H275 R289 L292 T293 | L121-W271 PolarHBondContact O-NE1 3.44Å; T122-W271 HydrophobicContact CG2-CH2 3.74Å; T122-W271 HydrophobicContact CG2-CZ2 4.09Å; T122-W271 HydrophobicContact CG2-CZ3 4.03Å; T122-W271 WeakPolarHBondContact OG1-CH2 3.48Å; G125-W271 VanDerWaalsContact CA-CD1 3.41Å; L267-W271 PolarHBondContact O-N 3.15Å; K268-W271 PolarHBondContact O-N 3.07Å; W271-A273 PolarHBondContact O-N 3.33Å; W271-L274 HydrophobicContact CE3-CD2 3.68Å; W271-L274 HydrophobicContact CH2-CD2 4.39Å; W271-L274 HydrophobicContact CZ3-CD2 3.52Å; W271-L274 PolarHBondContact O-N 2.89Å; W271-H275 AromaticContact CE3-CE1 3.48Å; W271-H275 VanDerWaalsContact CE3-CE1 3.48Å; W271-H275 AromaticContact CE3-NE2 3.57Å; W271-H275 AromaticContact CZ3-CE1 3.87Å; W271-H275 WeakPolarHBondContact O-CB 3.32Å; W271-H275 PolarHBondContact O-CD2 2.81Å; W271-H275 VanDerWaalsContact O-CG 3.24Å; W271-H275 PolarHBondContact O-N 3.27Å; W271-R289 HydrophobicContact CZ3-CG 4.32Å; W271-L292 HydrophobicContact CD2-CD1 4.13Å; W271-L292 HydrophobicContact CE3-CD1 4.38Å; W271-L292 HydrophobicContact CG-CD1 4.49Å; W271-L292 HydrophobicContact CH2-CB 4.47Å; W271-L292 HydrophobicContact CZ2-CB 3.94Å; W271-T293 HydrophobicContact CH2-CG2 3.66Å; W271-T293 HydrophobicContact CZ2-CG2 3.55Å |
| 272 | R | 96.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 174.4 | -165.5 | 176.7 | -57.8 | 108.7 | -0.6 | 111.8 | Q86 D87 K268 D269 L274 H275 S276 | Q86-R272 VanDerWaalsContact NE2-CA 3.32Å; D87-R272 IonicContact OD2-CZ 3.84Å; D87-R272 IonicContact OD2-NH2 3.84Å; D87-R272 PolarHBondContact OD2-NH2 2.78Å; K268-R272 WeakPolarHBondContact O-CB 3.21Å; K268-R272 PolarHBondContact O-N 3.35Å; D269-R272 PolarHBondContact O-N 3.24Å; D269-R272 IonicContact OD1-CZ 2.73Å; D269-R272 IonicContact OD1-NH1 2.93Å; D269-R272 PolarHBondContact OD1-NH1 2.83Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 3.08Å; R272-H275 PolarHBondContact O-N 2.92Å; R272-S276 VanDerWaalsContact O-CB 3.31Å; R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.6Å |
| 273 | A | 97.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D269 A270 W271 T277 I336 L339 | D269-A273 WeakPolarHBondContact O-CB 3.45Å; D269-A273 PolarHBondContact O-N 2.78Å; A270-A273 PolarHBondContact O-N 3.22Å; W271-A273 PolarHBondContact O-N 3.33Å; A273-T277 WeakPolarHBondContact O-CB 3.46Å; A273-T277 PolarHBondContact O-N 3.41Å; A273-T277 PolarHBondContact O-OG1 3.29Å; A273-I336 HydrophobicContact CB-CD1 4.36Å; A273-L339 HydrophobicContact CB-CD1 3.86Å |
| 274 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -53 | 176.2 | 173.8 | 59.5 | 0 | 0 | 0 | 111.8 | A270 W271 R272 S276 T277 E278 L285 I288 R289 L292 L339 | A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 PolarHBondContact O-N 3.1Å; W271-L274 HydrophobicContact CE3-CD2 3.68Å; W271-L274 HydrophobicContact CH2-CD2 4.39Å; W271-L274 HydrophobicContact CZ3-CD2 3.52Å; W271-L274 PolarHBondContact O-N 2.89Å; R272-L274 VanDerWaalsContact C-N 3.33Å; R272-L274 PolarHBondContact O-N 3.08Å; L274-S276 VanDerWaalsContact C-N 3.35Å; L274-S276 PolarHBondContact O-N 3.42Å; L274-T277 PolarHBondContact O-N 3.4Å; L274-T277 VanDerWaalsContact O-N 3.1Å; L274-E278 HydrophobicContact CD1-CG 3.86Å; L274-E278 HydrophobicContact CG-CG 4.42Å; L274-E278 WeakPolarHBondContact O-CG 3.18Å; L274-E278 PolarHBondContact O-N 3.02Å; L274-L285 HydrophobicContact CD1-CB 3.93Å; L274-L285 HydrophobicContact CD1-CD1 4.06Å; L274-I288 HydrophobicContact CD1-CB 4.11Å; L274-I288 HydrophobicContact CD1-CG2 3.93Å; L274-R289 HydrophobicContact CD2-CG 3.62Å; L274-L292 HydrophobicContact CB-CD1 4.44Å; L274-L292 HydrophobicContact CD2-CD1 3.83Å; L274-L339 HydrophobicContact CB-CD1 4.15Å; L274-L339 HydrophobicContact CB-CD2 4.42Å; L274-L339 HydrophobicContact CD1-CD2 4.02Å |
| 275 | H | 97.1 | Very high | 97 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | -179.1 | -66.4 | -33.6 | 0 | 0 | 0 | 112.6 | P83 W271 R272 T277 E278 A279 | P83-H275 HydrophobicContact CB-CB 4.43Å; W271-H275 AromaticContact CE3-CE1 3.48Å; W271-H275 VanDerWaalsContact CE3-CE1 3.48Å; W271-H275 AromaticContact CE3-NE2 3.57Å; W271-H275 AromaticContact CZ3-CE1 3.87Å; W271-H275 WeakPolarHBondContact O-CB 3.32Å; W271-H275 PolarHBondContact O-CD2 2.81Å; W271-H275 VanDerWaalsContact O-CG 3.24Å; W271-H275 PolarHBondContact O-N 3.27Å; R272-H275 PolarHBondContact O-N 2.92Å; H275-T277 VanDerWaalsContact C-N 3.29Å; H275-T277 PolarHBondContact O-N 2.78Å; H275-E278 IonicContact ND1-OE2 3.99Å; H275-E278 PolarHBondContact O-N 3.44Å; H275-A279 VanDerWaalsContact O-CB 3.29Å; H275-A279 WeakPolarHBondContact O-CB 3.2Å; H275-A279 PolarHBondContact O-N 2.77Å |
| 276 | S | 96.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | R272 L274 R280 | R272-S276 VanDerWaalsContact O-CB 3.31Å; R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.6Å; L274-S276 VanDerWaalsContact C-N 3.35Å; L274-S276 PolarHBondContact O-N 3.42Å; S276-R280 WeakPolarHBondContact O-CB 3.35Å; S276-R280 PolarHBondContact O-N 3.22Å |
| 277 | T | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 179 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | A273 L274 H275 A279 R280 L281 L285 L339 L342 | A273-T277 WeakPolarHBondContact O-CB 3.46Å; A273-T277 PolarHBondContact O-N 3.41Å; A273-T277 PolarHBondContact O-OG1 3.29Å; L274-T277 PolarHBondContact O-N 3.4Å; L274-T277 VanDerWaalsContact O-N 3.1Å; H275-T277 VanDerWaalsContact C-N 3.29Å; H275-T277 PolarHBondContact O-N 2.78Å; T277-A279 VanDerWaalsContact C-N 3.33Å; T277-A279 PolarHBondContact O-N 3.33Å; T277-R280 PolarHBondContact O-N 3.04Å; T277-L281 HydrophobicContact CG2-CD1 3.84Å; T277-L281 HydrophobicContact CG2-CG 4.3Å; T277-L281 WeakPolarHBondContact O-CB 3.48Å; T277-L281 WeakPolarHBondContact O-CG 3.4Å; T277-L281 PolarHBondContact O-N 2.85Å; T277-L285 HydrophobicContact CG2-CD1 3.66Å; T277-L339 HydrophobicContact CG2-CD2 3.9Å; T277-L342 HydrophobicContact CG2-CB 4.21Å; T277-L342 HydrophobicContact CG2-CD1 4.21Å |
| 278 | E | 97.7 | Very high | 97.3 | Very high | 18 Ų | 18 | 60.4 Ų | 60.4 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 176.3 | -71 | -178.5 | 142.3 | 0 | 0 | 112 | L274 H275 L281 K282 K283 P284 L285 R289 | L274-E278 HydrophobicContact CD1-CG 3.86Å; L274-E278 HydrophobicContact CG-CG 4.42Å; L274-E278 WeakPolarHBondContact O-CG 3.18Å; L274-E278 PolarHBondContact O-N 3.02Å; H275-E278 IonicContact ND1-OE2 3.99Å; H275-E278 PolarHBondContact O-N 3.44Å; E278-L281 PolarHBondContact O-N 2.72Å; E278-K282 VanDerWaalsContact O-CA 3.31Å; E278-K282 WeakPolarHBondContact O-CA 3.46Å; E278-K282 PolarHBondContact O-N 3.32Å; E278-K283 WeakPolarHBondContact CA-O 3.5Å; E278-K283 WeakPolarHBondContact CB-O 3.47Å; E278-K283 PolarHBondContact O-N 3.34Å; E278-P284 WeakPolarHBondContact OE1-CA 3.39Å; E278-L285 HydrophobicContact CG-CB 4.23Å; E278-L285 HydrophobicContact CG-CD1 4Å; E278-L285 HydrophobicContact CG-CG 3.94Å; E278-L285 PolarHBondContact OE1-N 3.16Å; E278-R289 IonicContact OE1-CZ 2.66Å; E278-R289 IonicContact OE1-NE 2.72Å; E278-R289 PolarHBondContact OE1-NE 3.18Å; E278-R289 IonicContact OE1-NH2 3.26Å; E278-R289 IonicContact OE2-CZ 2.66Å; E278-R289 IonicContact OE2-NE 3.53Å; E278-R289 PolarHBondContact OE2-NE 3.33Å; E278-R289 IonicContact OE2-NH2 3.33Å; E278-R289 PolarHBondContact OE2-NH2 2.81Å |
| 279 | A | 96.4 | Very high | 97.4 | Very high | 74 Ų | 74 | 62.2 Ų | 62.2 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H275 T277 K282 | H275-A279 VanDerWaalsContact O-CB 3.29Å; H275-A279 WeakPolarHBondContact O-CB 3.2Å; H275-A279 PolarHBondContact O-N 2.77Å; T277-A279 VanDerWaalsContact C-N 3.33Å; T277-A279 PolarHBondContact O-N 3.33Å; A279-K282 PolarHBondContact O-N 2.87Å |
| 280 | R | 97.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 176.4 | 177.4 | 175.6 | 57.1 | 90.1 | -0.5 | 112.2 | S276 T277 K282 L342 | S276-R280 WeakPolarHBondContact O-CB 3.35Å; S276-R280 PolarHBondContact O-N 3.22Å; T277-R280 PolarHBondContact O-N 3.04Å; R280-K282 VanDerWaalsContact C-N 3.27Å; R280-K282 PolarHBondContact O-N 2.79Å; R280-L342 PolarHBondContact NH1-O 3.11Å; R280-L342 PolarHBondContact NH2-O 3.29Å |
| 281 | L | 97.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 29% | 0.293 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.3 | -8.7 | -179.3 | -62.6 | -179.5 | 0 | 0 | 0 | 113.3 | T277 E278 K283 L285 L342 | T277-L281 HydrophobicContact CG2-CD1 3.84Å; T277-L281 HydrophobicContact CG2-CG 4.3Å; T277-L281 WeakPolarHBondContact O-CB 3.48Å; T277-L281 WeakPolarHBondContact O-CG 3.4Å; T277-L281 PolarHBondContact O-N 2.85Å; E278-L281 PolarHBondContact O-N 2.72Å; L281-K283 HydrophobicContact CB-CG 4Å; L281-K283 PolarHBondContact O-N 2.97Å; L281-L285 HydrophobicContact CD1-CD1 4.34Å; L281-L285 HydrophobicContact CD1-CD2 4.26Å; L281-L342 HydrophobicContact CD1-CB 4.4Å; L281-L342 HydrophobicContact CD1-CD1 4.22Å; L281-L342 HydrophobicContact CD1-CD2 4.42Å |
| 282 | K | 96.8 | Very high | 97.6 | Very high | 193 Ų | 193 | 61 Ų | 61 | 84% | 0.839 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33.8 | -175.7 | -58.2 | -179.3 | 179.5 | 179.2 | 0 | 113.5 | E278 A279 R280 | E278-K282 VanDerWaalsContact O-CA 3.31Å; E278-K282 WeakPolarHBondContact O-CA 3.46Å; E278-K282 PolarHBondContact O-N 3.32Å; A279-K282 PolarHBondContact O-N 2.87Å; R280-K282 VanDerWaalsContact C-N 3.27Å; R280-K282 PolarHBondContact O-N 2.79Å |
| 283 | K | 97.2 | Very high | 97.6 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -149.9 | 148.4 | 177.8 | 67.9 | -179.8 | -178.5 | 177.6 | 0 | 110.8 | E278 L281 | E278-K283 WeakPolarHBondContact CA-O 3.5Å; E278-K283 WeakPolarHBondContact CB-O 3.47Å; E278-K283 PolarHBondContact O-N 3.34Å; L281-K283 HydrophobicContact CB-CG 4Å; L281-K283 PolarHBondContact O-N 2.97Å |
| 284 | P | 96.5 | Very high | 97.7 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | trans | -67.7 | 154.8 | 171.4 | 30.1 | -34.8 | 0 | 0 | 0 | 110.9 | E278 P286 | E278-P284 WeakPolarHBondContact OE1-CA 3.39Å; P284-P286 VanDerWaalsContact C-CD 3.49Å; P284-P286 VanDerWaalsContact O-CD 3.29Å; P284-P286 WeakPolarHBondContact O-CD 3.12Å | ||
| 285 | L | 98.2 | Very high | 97.7 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | trans | -116.8 | 76.1 | 175.8 | -63.8 | 169.6 | 0 | 0 | 0 | 109.1 | L274 T277 E278 L281 E287 I288 R289 L339 L342 | L274-L285 HydrophobicContact CD1-CB 3.93Å; L274-L285 HydrophobicContact CD1-CD1 4.06Å; T277-L285 HydrophobicContact CG2-CD1 3.66Å; E278-L285 HydrophobicContact CG-CB 4.23Å; E278-L285 HydrophobicContact CG-CD1 4Å; E278-L285 HydrophobicContact CG-CG 3.94Å; E278-L285 PolarHBondContact OE1-N 3.16Å; L281-L285 HydrophobicContact CD1-CD1 4.34Å; L281-L285 HydrophobicContact CD1-CD2 4.26Å; L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 2.93Å; L285-I288 HydrophobicContact CB-CB 4.16Å; L285-I288 HydrophobicContact CB-CD1 4.16Å; L285-I288 HydrophobicContact CB-CG1 4.22Å; L285-I288 HydrophobicContact CD1-CD1 3.96Å; L285-I288 PolarHBondContact O-N 3.44Å; L285-I288 VanDerWaalsContact O-N 3.07Å; L285-R289 PolarHBondContact O-N 3Å; L285-L339 HydrophobicContact CD1-CD2 4.05Å; L285-L342 HydrophobicContact CD1-CD1 3.73Å; L285-L342 HydrophobicContact CD2-CD1 3.96Å | ||
| 286 | P | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 63 Ų | 63 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.5 | -35.7 | -170.4 | 23.2 | -34.1 | 0 | 0 | 0 | 113.3 | P284 R289 A290 | P284-P286 VanDerWaalsContact C-CD 3.49Å; P284-P286 VanDerWaalsContact O-CD 3.29Å; P284-P286 WeakPolarHBondContact O-CD 3.12Å; P286-R289 PolarHBondContact O-N 2.96Å; P286-A290 WeakPolarHBondContact O-CB 3.41Å; P286-A290 PolarHBondContact O-N 2.97Å |
| 287 | E | 98 | Very high | 97.8 | Very high | 135 Ų | 135 | 59.6 Ų | 59.6 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 175.7 | -66.9 | -177.1 | -166.4 | 0 | 0 | 112.4 | L285 A290 L291 K338 | L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 2.93Å; E287-A290 PolarHBondContact O-N 2.85Å; E287-L291 WeakPolarHBondContact O-CG 3.35Å; E287-L291 PolarHBondContact O-N 2.9Å; E287-K338 IonicContact OE2-NZ 2.84Å; E287-K338 PolarHBondContact OE2-NZ 3.23Å |
| 288 | I | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74 | -39.2 | 179.8 | -54.8 | -176.6 | 0 | 0 | 0 | 110 | L274 L285 A290 L291 L292 A335 K338 L339 L342 | L274-I288 HydrophobicContact CD1-CB 4.11Å; L274-I288 HydrophobicContact CD1-CG2 3.93Å; L285-I288 HydrophobicContact CB-CB 4.16Å; L285-I288 HydrophobicContact CB-CD1 4.16Å; L285-I288 HydrophobicContact CB-CG1 4.22Å; L285-I288 HydrophobicContact CD1-CD1 3.96Å; L285-I288 PolarHBondContact O-N 3.44Å; L285-I288 VanDerWaalsContact O-N 3.07Å; I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 3.16Å; I288-L291 WeakPolarHBondContact O-CB 3.43Å; I288-L291 PolarHBondContact O-N 2.99Å; I288-L292 PolarHBondContact O-N 3.15Å; I288-A335 HydrophobicContact CG2-CB 3.9Å; I288-K338 HydrophobicContact CD1-CB 3.8Å; I288-K338 HydrophobicContact CG1-CB 4.02Å; I288-K338 HydrophobicContact CG1-CD 4.28Å; I288-L339 HydrophobicContact CD1-CD2 3.63Å; I288-L339 HydrophobicContact CD1-CG 3.9Å; I288-L339 HydrophobicContact CG2-CD1 4.19Å; I288-L339 HydrophobicContact CG2-CD2 4.13Å; I288-L339 HydrophobicContact CG2-CG 3.96Å; I288-L342 HydrophobicContact CD1-CD1 3.86Å |
| 289 | R | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 170.4 | -79.1 | 179.1 | 173.7 | -96.2 | -0.7 | 111.2 | W271 L274 E278 L285 P286 L291 L292 T293 | W271-R289 HydrophobicContact CZ3-CG 4.32Å; L274-R289 HydrophobicContact CD2-CG 3.62Å; E278-R289 IonicContact OE1-CZ 2.66Å; E278-R289 IonicContact OE1-NE 2.72Å; E278-R289 PolarHBondContact OE1-NE 3.18Å; E278-R289 IonicContact OE1-NH2 3.26Å; E278-R289 IonicContact OE2-CZ 2.66Å; E278-R289 IonicContact OE2-NE 3.53Å; E278-R289 PolarHBondContact OE2-NE 3.33Å; E278-R289 IonicContact OE2-NH2 3.33Å; E278-R289 PolarHBondContact OE2-NH2 2.81Å; L285-R289 PolarHBondContact O-N 3Å; P286-R289 PolarHBondContact O-N 2.96Å; R289-L291 VanDerWaalsContact C-N 3.28Å; R289-L291 PolarHBondContact O-N 3.24Å; R289-L292 CarbonylContact O-C 3.53Å; R289-L292 WeakPolarHBondContact O-CA 3.32Å; R289-L292 PolarHBondContact O-N 2.89Å; R289-T293 WeakPolarHBondContact O-CG2 3.49Å; R289-T293 PolarHBondContact O-N 2.84Å; R289-T293 PolarHBondContact O-OG1 3.17Å |
| 290 | A | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P286 E287 I288 L292 T293 Q294 | P286-A290 WeakPolarHBondContact O-CB 3.41Å; P286-A290 PolarHBondContact O-N 2.97Å; E287-A290 PolarHBondContact O-N 2.85Å; I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 3.16Å; A290-L292 VanDerWaalsContact C-N 3.25Å; A290-L292 PolarHBondContact O-N 2.89Å; A290-T293 PolarHBondContact O-N 2.74Å; A290-Q294 VanDerWaalsContact O-CB 3.31Å; A290-Q294 WeakPolarHBondContact O-CB 3.43Å; A290-Q294 WeakPolarHBondContact O-CG 3.34Å; A290-Q294 PolarHBondContact O-N 3.35Å |
| 291 | L | 98.5 | Very high | 97.8 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 174.6 | -68 | 171.3 | 0 | 0 | 0 | 112.7 | E287 I288 R289 N331 L334 A335 K338 | E287-L291 WeakPolarHBondContact O-CG 3.35Å; E287-L291 PolarHBondContact O-N 2.9Å; I288-L291 WeakPolarHBondContact O-CB 3.43Å; I288-L291 PolarHBondContact O-N 2.99Å; R289-L291 VanDerWaalsContact C-N 3.28Å; R289-L291 PolarHBondContact O-N 3.24Å; L291-N331 WeakPolarHBondContact O-CB 3.49Å; L291-L334 HydrophobicContact CD1-CB 4.19Å; L291-L334 HydrophobicContact CD1-CD2 4.04Å; L291-L334 HydrophobicContact CD1-CG 3.78Å; L291-L334 HydrophobicContact CD2-CD2 3.84Å; L291-L334 HydrophobicContact CD2-CG 4.43Å; L291-A335 HydrophobicContact CB-CB 4Å; L291-A335 HydrophobicContact CD1-CB 4.11Å; L291-K338 HydrophobicContact CD1-CD 3.89Å |
| 292 | L | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86.9 | -17 | 179.8 | -60 | -177.2 | 0 | 0 | 0 | 113.8 | A270 W271 L274 I288 R289 A290 A335 | A270-L292 HydrophobicContact CB-CD1 4.09Å; A270-L292 HydrophobicContact CB-CD2 3.86Å; W271-L292 HydrophobicContact CD2-CD1 4.13Å; W271-L292 HydrophobicContact CE3-CD1 4.38Å; W271-L292 HydrophobicContact CG-CD1 4.49Å; W271-L292 HydrophobicContact CH2-CB 4.47Å; W271-L292 HydrophobicContact CZ2-CB 3.94Å; L274-L292 HydrophobicContact CB-CD1 4.44Å; L274-L292 HydrophobicContact CD2-CD1 3.83Å; I288-L292 PolarHBondContact O-N 3.15Å; R289-L292 CarbonylContact O-C 3.53Å; R289-L292 WeakPolarHBondContact O-CA 3.32Å; R289-L292 PolarHBondContact O-N 2.89Å; A290-L292 VanDerWaalsContact C-N 3.25Å; A290-L292 PolarHBondContact O-N 2.89Å; L292-A335 HydrophobicContact CD2-CB 3.73Å; L292-A335 HydrophobicContact CG-CB 4.13Å |
| 293 | T | 98.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -116 | -11.9 | -172.3 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | E118 L121 T122 W271 R289 A290 | E118-T293 HydrophobicContact CG-CG2 3.85Å; L121-T293 HydrophobicContact CB-CG2 4.4Å; L121-T293 VanDerWaalsContact CD1-O 3.3Å; L121-T293 WeakPolarHBondContact CD1-O 3.23Å; T122-T293 WeakPolarHBondContact OG1-CG2 3.48Å; W271-T293 HydrophobicContact CH2-CG2 3.66Å; W271-T293 HydrophobicContact CZ2-CG2 3.55Å; R289-T293 WeakPolarHBondContact O-CG2 3.49Å; R289-T293 PolarHBondContact O-N 2.84Å; R289-T293 PolarHBondContact O-OG1 3.17Å; A290-T293 PolarHBondContact O-N 2.74Å |
| 294 | Q | 97.9 | Very high | 97.7 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -71.9 | 157.2 | 173.1 | -76.1 | 174.5 | 7.5 | 0 | 0 | 111.6 | A290 W327 | A290-Q294 VanDerWaalsContact O-CB 3.31Å; A290-Q294 WeakPolarHBondContact O-CB 3.43Å; A290-Q294 WeakPolarHBondContact O-CG 3.34Å; A290-Q294 PolarHBondContact O-N 3.35Å; Q294-W327 VanDerWaalsContact C-CH2 3.47Å; Q294-W327 HydrophobicContact CB-CH2 3.65Å; Q294-W327 HydrophobicContact CB-CZ2 4.3Å; Q294-W327 WeakPolarHBondContact O-CH2 3.4Å; Q294-W327 VanDerWaalsContact O-CZ3 3.31Å; Q294-W327 WeakPolarHBondContact O-CZ3 3.2Å | ||
| 295 | V | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | trans | -125.6 | 148.5 | 173.4 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | W117 L121 L255 V297 F328 | W117-V295 HydrophobicContact CB-CG1 3.87Å; W117-V295 HydrophobicContact CB-CG2 4.29Å; W117-V295 HydrophobicContact CD2-CG1 3.76Å; W117-V295 HydrophobicContact CE3-CG1 3.94Å; W117-V295 HydrophobicContact CG-CG1 3.71Å; W117-V295 HydrophobicContact CG-CG2 4.05Å; L121-V295 HydrophobicContact CD1-CG1 3.88Å; L255-V295 HydrophobicContact CD2-CB 4.22Å; L255-V295 HydrophobicContact CD2-CG1 4.38Å; V295-V297 PolarHBondContact O-N 3.15Å; V295-V297 VanDerWaalsContact O-N 3.12Å; V295-F328 HydrophobicContact CG1-CE1 4.4Å; V295-F328 HydrophobicContact CG1-CZ 4.22Å | ||
| 296 | P | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -73.5 | -0.1 | -175.9 | 29.1 | -35.6 | 0 | 0 | 0 | 114.4 | L255 W324 W327 F328 | L255-P296 HydrophobicContact CD1-CG 4.22Å; P296-W324 HydrophobicContact CG-CB 4.08Å; P296-W324 HydrophobicContact CG-CD2 4.34Å; P296-W324 HydrophobicContact CG-CG 3.63Å; P296-W327 HydrophobicContact CB-CB 4.46Å; P296-W327 HydrophobicContact CB-CD2 3.77Å; P296-W327 HydrophobicContact CB-CE3 4.13Å; P296-W327 HydrophobicContact CB-CG 3.9Å; P296-W327 HydrophobicContact CG-CD2 4.26Å; P296-W327 HydrophobicContact CG-CE3 4.14Å; P296-F328 HydrophobicContact CG-CE2 4.24Å; P296-F328 HydrophobicContact CG-CZ 4.36Å |
| 297 | V | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -112.5 | 120.3 | -176.7 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | W113 L251 L255 V295 W307 W324 | W113-V297 HydrophobicContact CZ2-CB 4.14Å; W113-V297 HydrophobicContact CZ2-CG1 4.08Å; W113-V297 PolarHBondContact NE1-O 3.4Å; L251-V297 HydrophobicContact CD1-CG1 4.18Å; L251-V297 HydrophobicContact CD1-CG2 4.05Å; L251-V297 HydrophobicContact CD2-CG1 4.32Å; L255-V297 HydrophobicContact CD2-CB 4.45Å; L255-V297 HydrophobicContact CD2-CG2 4.37Å; V295-V297 PolarHBondContact O-N 3.15Å; V295-V297 VanDerWaalsContact O-N 3.12Å; V297-W307 HydrophobicContact CB-CH2 4.38Å; V297-W307 HydrophobicContact CG1-CH2 3.53Å; V297-W307 HydrophobicContact CG1-CZ3 3.73Å; V297-W307 HydrophobicContact CG2-CH2 3.92Å; V297-W324 HydrophobicContact CG2-CH2 4.41Å; V297-W324 HydrophobicContact CG2-CZ2 3.6Å |
| 298 | A | 97.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 49% | 0.488 | 27% | 0.27 | S | S | . | . | trans | -68.4 | 152.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A300 S301 S302 | A298-A300 VanDerWaalsContact C-N 3.3Å; A298-A300 PolarHBondContact O-N 3.22Å; A298-S301 WeakPolarHBondContact O-CB 3.5Å; A298-S301 PolarHBondContact O-N 2.94Å; A298-S301 VanDerWaalsContact O-N 3.11Å; A298-S302 PolarHBondContact O-N 3.02Å | ||
| 299 | A | 97.5 | Very high | 97.1 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W113 S301 S302 E303 | W113-A299 HydrophobicContact CB-CB 3.81Å; W113-A299 HydrophobicContact CG-CB 4.08Å; A299-S301 VanDerWaalsContact C-N 3.3Å; A299-S301 PolarHBondContact O-N 2.89Å; A299-S302 PolarHBondContact O-N 3.5Å; A299-S302 VanDerWaalsContact O-N 3.17Å; A299-S302 PolarHBondContact O-OG 3.18Å; A299-E303 PolarHBondContact O-N 3.02Å |
| 300 | A | 97.4 | Very high | 97 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A298 E303 A304 | A298-A300 VanDerWaalsContact C-N 3.3Å; A298-A300 PolarHBondContact O-N 3.22Å; A300-E303 PolarHBondContact O-N 3.2Å; A300-A304 WeakPolarHBondContact O-CB 3.49Å; A300-A304 PolarHBondContact O-N 3.35Å |
| 301 | S | 96.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | A298 A299 E303 A304 | A298-S301 WeakPolarHBondContact O-CB 3.5Å; A298-S301 PolarHBondContact O-N 2.94Å; A298-S301 VanDerWaalsContact O-N 3.11Å; A299-S301 VanDerWaalsContact C-N 3.3Å; A299-S301 PolarHBondContact O-N 2.89Å; S301-E303 PolarHBondContact O-N 2.83Å; S301-E303 VanDerWaalsContact O-N 3.09Å; S301-A304 PolarHBondContact O-N 3.47Å |
| 302 | S | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -7.5 | -178.9 | 76.4 | 0 | 0 | 0 | 0 | 114.4 | W113 A298 A299 | W113-S302 VanDerWaalsContact CD2-OG 3.27Å; A298-S302 PolarHBondContact O-N 3.02Å; A299-S302 PolarHBondContact O-N 3.5Å; A299-S302 VanDerWaalsContact O-N 3.17Å; A299-S302 PolarHBondContact O-OG 3.18Å |
| 303 | E | 97 | Very high | 96.1 | Very high | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -116.9 | -10.3 | 177 | -62.4 | 178.8 | -174.1 | 0 | 0 | 112.8 | L244 A299 A300 S301 P305 | L244-E303 HydrophobicContact CD1-CB 4.4Å; L244-E303 HydrophobicContact CD1-CG 4.07Å; L244-E303 HydrophobicContact CD2-CG 4.49Å; A299-E303 PolarHBondContact O-N 3.02Å; A300-E303 PolarHBondContact O-N 3.2Å; S301-E303 PolarHBondContact O-N 2.83Å; S301-E303 VanDerWaalsContact O-N 3.09Å; E303-P305 WeakPolarHBondContact O-CD 3.21Å |
| 304 | A | 97 | Very high | 95.9 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | trans | -75.3 | 109.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A300 S301 V306 W307 L308 | A300-A304 WeakPolarHBondContact O-CB 3.49Å; A300-A304 PolarHBondContact O-N 3.35Å; S301-A304 PolarHBondContact O-N 3.47Å; A304-V306 VanDerWaalsContact C-N 3.31Å; A304-V306 PolarHBondContact O-N 2.96Å; A304-W307 HydrophobicContact CB-CB 4.1Å; A304-W307 PolarHBondContact O-N 3.35Å; A304-W307 VanDerWaalsContact O-N 3.11Å; A304-L308 WeakPolarHBondContact O-CG 3.27Å; A304-L308 PolarHBondContact O-N 3.22Å | ||
| 305 | P | 94.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | -171.5 | -25.7 | 36.3 | 0 | 0 | 0 | 114 | K247 E303 L308 A309 | K247-P305 HydrophobicContact CD-CB 4.36Å; K247-P305 HydrophobicContact CD-CG 4.49Å; E303-P305 WeakPolarHBondContact O-CD 3.21Å; P305-L308 PolarHBondContact O-N 2.99Å; P305-A309 WeakPolarHBondContact O-CB 3.32Å; P305-A309 PolarHBondContact O-N 3.48Å |
| 306 | V | 95.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | A304 Q310 | A304-V306 VanDerWaalsContact C-N 3.31Å; A304-V306 PolarHBondContact O-N 2.96Å; V306-Q310 WeakPolarHBondContact O-CG 3.47Å |
| 307 | W | 96 | Very high | 95.5 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.9 | -42.1 | 177.9 | -174.8 | 79.9 | 0 | 0 | 0 | 111.1 | L251 V297 A304 A309 Q310 F311 F316 W324 | L251-W307 HydrophobicContact CD1-CH2 3.91Å; L251-W307 HydrophobicContact CD1-CZ3 3.95Å; L251-W307 HydrophobicContact CD2-CZ3 3.94Å; L251-W307 HydrophobicContact CG-CZ3 4.49Å; V297-W307 HydrophobicContact CB-CH2 4.38Å; V297-W307 HydrophobicContact CG1-CH2 3.53Å; V297-W307 HydrophobicContact CG1-CZ3 3.73Å; V297-W307 HydrophobicContact CG2-CH2 3.92Å; A304-W307 HydrophobicContact CB-CB 4.1Å; A304-W307 PolarHBondContact O-N 3.35Å; A304-W307 VanDerWaalsContact O-N 3.11Å; W307-A309 VanDerWaalsContact C-N 3.31Å; W307-A309 PolarHBondContact O-N 3.32Å; W307-Q310 WeakPolarHBondContact O-CB 3.4Å; W307-Q310 PolarHBondContact O-N 2.86Å; W307-Q310 VanDerWaalsContact O-N 3.1Å; W307-F311 HydrophobicContact CD2-CE2 4.45Å; W307-F311 HydrophobicContact CE3-CE2 4.01Å; W307-F311 AromaticContact CH2-CE2 3.6Å; W307-F311 HydrophobicContact CH2-CE2 3.6Å; W307-F311 AromaticContact CH2-CZ 3.74Å; W307-F311 HydrophobicContact CH2-CZ 3.74Å; W307-F311 HydrophobicContact CZ2-CE2 4.03Å; W307-F311 HydrophobicContact CZ2-CZ 4.09Å; W307-F311 AromaticContact CZ3-CE2 3.6Å; W307-F311 HydrophobicContact CZ3-CE2 3.6Å; W307-F311 HydrophobicContact CZ3-CZ 4.2Å; W307-F316 AromaticContact NE1-CZ 3.82Å; W307-W324 HydrophobicContact CH2-CZ2 4.39Å |
| 308 | L | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 176.6 | -69.4 | 174.1 | 0 | 0 | 0 | 112.6 | K247 R248 L251 A304 P305 Q310 F311 | K247-L308 HydrophobicContact CB-CD1 3.94Å; R248-L308 HydrophobicContact CB-CD1 3.97Å; R248-L308 HydrophobicContact CB-CD2 3.79Å; L251-L308 HydrophobicContact CB-CD2 4.05Å; L251-L308 HydrophobicContact CD2-CD2 3.64Å; L251-L308 HydrophobicContact CG-CD2 4.46Å; A304-L308 WeakPolarHBondContact O-CG 3.27Å; A304-L308 PolarHBondContact O-N 3.22Å; P305-L308 PolarHBondContact O-N 2.99Å; L308-Q310 PolarHBondContact O-N 3.18Å; L308-F311 WeakPolarHBondContact O-CB 2.92Å; L308-F311 WeakPolarHBondContact O-CD2 3.41Å; L308-F311 PolarHBondContact O-N 3.01Å; L308-F311 VanDerWaalsContact O-N 3.16Å |
| 309 | A | 94.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -23.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P305 W307 F311 D312 | P305-A309 WeakPolarHBondContact O-CB 3.32Å; P305-A309 PolarHBondContact O-N 3.48Å; W307-A309 VanDerWaalsContact C-N 3.31Å; W307-A309 PolarHBondContact O-N 3.32Å; A309-F311 PolarHBondContact O-N 2.88Å; A309-D312 WeakPolarHBondContact O-CB 3.45Å; A309-D312 PolarHBondContact O-N 3.29Å; A309-D312 VanDerWaalsContact O-N 3.14Å |
| 310 | Q | 95.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -66 | -21.9 | 178.6 | -58.8 | -175.4 | 25.9 | 0 | 0 | 112.5 | V306 W307 L308 D312 N313 F316 | V306-Q310 WeakPolarHBondContact O-CG 3.47Å; W307-Q310 WeakPolarHBondContact O-CB 3.4Å; W307-Q310 PolarHBondContact O-N 2.86Å; W307-Q310 VanDerWaalsContact O-N 3.1Å; L308-Q310 PolarHBondContact O-N 3.18Å; Q310-D312 PolarHBondContact O-N 3.34Å; Q310-D312 VanDerWaalsContact O-N 3.09Å; Q310-N313 WeakPolarHBondContact O-CB 3.27Å; Q310-N313 PolarHBondContact O-N 2.96Å; Q310-F316 HydrophobicContact CB-CD1 3.47Å; Q310-F316 VanDerWaalsContact CB-CD1 3.47Å; Q310-F316 HydrophobicContact CB-CD2 4.13Å; Q310-F316 HydrophobicContact CB-CE1 3.49Å; Q310-F316 VanDerWaalsContact CB-CE1 3.49Å; Q310-F316 HydrophobicContact CB-CE2 4.16Å; Q310-F316 HydrophobicContact CB-CG 3.79Å; Q310-F316 HydrophobicContact CB-CZ 3.85Å; Q310-F316 VanDerWaalsContact O-CD1 3.23Å; Q310-F316 WeakPolarHBondContact O-CD1 3.44Å |
| 311 | F | 94.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -66.2 | -7.3 | 175.1 | -77.3 | -75.5 | 0 | 0 | 0 | 114.2 | R250 L251 R254 W307 L308 A309 F316 A317 Q320 W324 | R250-F311 HydrophobicContact CB-CB 4.11Å; L251-F311 HydrophobicContact CB-CD2 4.42Å; L251-F311 HydrophobicContact CB-CE2 4.18Å; L251-F311 HydrophobicContact CD1-CE2 4.08Å; L251-F311 HydrophobicContact CD1-CZ 3.89Å; R254-F311 PolarHBondContact NH1-O 3.48Å; W307-F311 HydrophobicContact CD2-CE2 4.45Å; W307-F311 HydrophobicContact CE3-CE2 4.01Å; W307-F311 AromaticContact CH2-CE2 3.6Å; W307-F311 HydrophobicContact CH2-CE2 3.6Å; W307-F311 AromaticContact CH2-CZ 3.74Å; W307-F311 HydrophobicContact CH2-CZ 3.74Å; W307-F311 HydrophobicContact CZ2-CE2 4.03Å; W307-F311 HydrophobicContact CZ2-CZ 4.09Å; W307-F311 AromaticContact CZ3-CE2 3.6Å; W307-F311 HydrophobicContact CZ3-CE2 3.6Å; W307-F311 HydrophobicContact CZ3-CZ 4.2Å; L308-F311 WeakPolarHBondContact O-CB 2.92Å; L308-F311 WeakPolarHBondContact O-CD2 3.41Å; L308-F311 PolarHBondContact O-N 3.01Å; L308-F311 VanDerWaalsContact O-N 3.16Å; A309-F311 PolarHBondContact O-N 2.88Å; F311-F316 HydrophobicContact CD1-CD1 4.41Å; F311-F316 HydrophobicContact CD1-CE1 4.25Å; F311-F316 HydrophobicContact CD2-CE1 4.13Å; F311-F316 HydrophobicContact CE1-CE1 4.14Å; F311-F316 AromaticContact CE2-CE1 3.98Å; F311-F316 HydrophobicContact CE2-CE1 3.98Å; F311-F316 HydrophobicContact CG-CE1 4.26Å; F311-F316 AromaticContact CZ-CE1 3.99Å; F311-F316 HydrophobicContact CZ-CE1 3.99Å; F311-A317 HydrophobicContact CD1-CB 4.3Å; F311-Q320 HydrophobicContact CE1-CB 4.1Å; F311-Q320 HydrophobicContact CE1-CG 4.23Å; F311-Q320 HydrophobicContact CZ-CB 4.49Å; F311-Q320 HydrophobicContact CZ-CG 4.29Å; F311-W324 AromaticContact CE1-CH2 3.46Å; F311-W324 HydrophobicContact CE1-CH2 3.46Å; F311-W324 VanDerWaalsContact CE1-CH2 3.46Å; F311-W324 HydrophobicContact CE1-CZ2 4.06Å; F311-W324 HydrophobicContact CE1-CZ3 4.31Å; F311-W324 AromaticContact CZ-CH2 3.41Å; F311-W324 HydrophobicContact CZ-CH2 3.41Å; F311-W324 VanDerWaalsContact CZ-CH2 3.41Å; F311-W324 AromaticContact CZ-CZ2 3.7Å; F311-W324 HydrophobicContact CZ-CZ2 3.7Å |
| 312 | D | 89.2 | Confident | 95.3 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -77.5 | -26.2 | 168.8 | -64.3 | -17.9 | 0 | 0 | 0 | 113.3 | R250 A309 Q310 K314 | R250-D312 IonicContact CZ-OD1 3.86Å; R250-D312 IonicContact NE-OD1 3.84Å; R250-D312 PolarHBondContact NE-OD1 3.46Å; R250-D312 VanDerWaalsContact NH1-CA 3.33Å; R250-D312 IonicContact NH1-OD1 2.84Å; R250-D312 PolarHBondContact NH1-OD1 2.92Å; R250-D312 IonicContact NH2-OD1 3.02Å; A309-D312 WeakPolarHBondContact O-CB 3.45Å; A309-D312 PolarHBondContact O-N 3.29Å; A309-D312 VanDerWaalsContact O-N 3.14Å; Q310-D312 PolarHBondContact O-N 3.34Å; Q310-D312 VanDerWaalsContact O-N 3.09Å; D312-K314 PolarHBondContact O-N 3.42Å |
| 313 | N | 94 | Very high | 95.3 | Very high | 93 Ų | 93 | 68.2 Ų | 68.2 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.5 | 117.2 | 169.1 | -174.7 | -40.7 | 0 | 0 | 0 | 109.4 | Q310 S315 F316 A317 | Q310-N313 WeakPolarHBondContact O-CB 3.27Å; Q310-N313 PolarHBondContact O-N 2.96Å; N313-S315 VanDerWaalsContact C-N 3.32Å; N313-S315 PolarHBondContact O-N 2.84Å; N313-S315 VanDerWaalsContact OD1-CB 3.31Å; N313-S315 WeakPolarHBondContact OD1-CB 3.44Å; N313-S315 PolarHBondContact OD1-N 2.7Å; N313-F316 HydrophobicContact CB-CB 4.06Å; N313-F316 PolarHBondContact O-N 3.43Å; N313-F316 PolarHBondContact OD1-N 2.96Å; N313-A317 WeakPolarHBondContact O-CB 3.35Å; N313-A317 PolarHBondContact O-N 3.18Å |
| 314 | K | 93.6 | Very high | 95.4 | Very high | 146 Ų | 146 | 63.4 Ų | 63.4 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.6 | -43.1 | 179.5 | -177.3 | 178.4 | 171.3 | -176 | 0 | 112.5 | D312 A317 E318 | D312-K314 PolarHBondContact O-N 3.42Å; K314-A317 PolarHBondContact O-N 3.04Å; K314-E318 WeakPolarHBondContact CE-OE1 3.19Å; K314-E318 HydrophobicContact CG-CG 4.37Å; K314-E318 IonicContact NZ-OE1 3.41Å; K314-E318 WeakPolarHBondContact O-CB 3.36Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 3.3Å |
| 315 | S | 96.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | -179.8 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | N313 E318 Q319 | N313-S315 VanDerWaalsContact C-N 3.32Å; N313-S315 PolarHBondContact O-N 2.84Å; N313-S315 VanDerWaalsContact OD1-CB 3.31Å; N313-S315 WeakPolarHBondContact OD1-CB 3.44Å; N313-S315 PolarHBondContact OD1-N 2.7Å; S315-E318 PolarHBondContact O-N 3.35Å; S315-Q319 WeakPolarHBondContact O-CB 3.4Å; S315-Q319 PolarHBondContact O-N 3.42Å |
| 316 | F | 95.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.7 | 175.7 | -95.1 | 0 | 0 | 0 | 111 | W307 Q310 F311 N313 E318 Q319 Q320 | W307-F316 AromaticContact NE1-CZ 3.82Å; Q310-F316 HydrophobicContact CB-CD1 3.47Å; Q310-F316 VanDerWaalsContact CB-CD1 3.47Å; Q310-F316 HydrophobicContact CB-CD2 4.13Å; Q310-F316 HydrophobicContact CB-CE1 3.49Å; Q310-F316 VanDerWaalsContact CB-CE1 3.49Å; Q310-F316 HydrophobicContact CB-CE2 4.16Å; Q310-F316 HydrophobicContact CB-CG 3.79Å; Q310-F316 HydrophobicContact CB-CZ 3.85Å; Q310-F316 VanDerWaalsContact O-CD1 3.23Å; Q310-F316 WeakPolarHBondContact O-CD1 3.44Å; F311-F316 HydrophobicContact CD1-CD1 4.41Å; F311-F316 HydrophobicContact CD1-CE1 4.25Å; F311-F316 HydrophobicContact CD2-CE1 4.13Å; F311-F316 HydrophobicContact CE1-CE1 4.14Å; F311-F316 AromaticContact CE2-CE1 3.98Å; F311-F316 HydrophobicContact CE2-CE1 3.98Å; F311-F316 HydrophobicContact CG-CE1 4.26Å; F311-F316 AromaticContact CZ-CE1 3.99Å; F311-F316 HydrophobicContact CZ-CE1 3.99Å; N313-F316 HydrophobicContact CB-CB 4.06Å; N313-F316 PolarHBondContact O-N 3.43Å; N313-F316 PolarHBondContact OD1-N 2.96Å; F316-E318 PolarHBondContact O-N 3.42Å; F316-Q319 PolarHBondContact O-N 3.17Å; F316-Q320 HydrophobicContact CD1-CG 4.15Å; F316-Q320 HydrophobicContact CD2-CG 4.5Å; F316-Q320 HydrophobicContact CE1-CG 3.67Å; F316-Q320 HydrophobicContact CE2-CG 4.04Å; F316-Q320 HydrophobicContact CZ-CG 3.61Å; F316-Q320 WeakPolarHBondContact O-CG 3.46Å; F316-Q320 PolarHBondContact O-N 2.67Å |
| 317 | A | 94.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R254 F311 N313 K314 Q320 M321 | R254-A317 VanDerWaalsContact NH1-CB 3.28Å; F311-A317 HydrophobicContact CD1-CB 4.3Å; N313-A317 WeakPolarHBondContact O-CB 3.35Å; N313-A317 PolarHBondContact O-N 3.18Å; K314-A317 PolarHBondContact O-N 3.04Å; A317-Q320 PolarHBondContact O-N 3.08Å; A317-M321 VanDerWaalsContact O-CG 3.32Å; A317-M321 WeakPolarHBondContact O-CG 3.18Å; A317-M321 PolarHBondContact O-N 3.35Å |
| 318 | E | 95.2 | Very high | 95.9 | Very high | 95 Ų | 95 | 63.2 Ų | 63.2 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 177.8 | -74.3 | 174.1 | 165.3 | 0 | 0 | 111.4 | K314 S315 F316 M321 M322 | K314-E318 WeakPolarHBondContact CE-OE1 3.19Å; K314-E318 HydrophobicContact CG-CG 4.37Å; K314-E318 IonicContact NZ-OE1 3.41Å; K314-E318 WeakPolarHBondContact O-CB 3.36Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 3.3Å; S315-E318 PolarHBondContact O-N 3.35Å; F316-E318 PolarHBondContact O-N 3.42Å; E318-M321 PolarHBondContact O-N 2.94Å; E318-M322 WeakPolarHBondContact O-CG 3.35Å; E318-M322 PolarHBondContact O-N 3.12Å |
| 319 | Q | 96.7 | Very high | 95.9 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.6 | -50.7 | 174.3 | -178.6 | -177.2 | -13 | 0 | 0 | 111.6 | S315 F316 M321 M322 E323 | S315-Q319 WeakPolarHBondContact O-CB 3.4Å; S315-Q319 PolarHBondContact O-N 3.42Å; F316-Q319 PolarHBondContact O-N 3.17Å; Q319-M321 VanDerWaalsContact C-N 3.3Å; Q319-M321 PolarHBondContact O-N 3.21Å; Q319-M322 PolarHBondContact O-N 3.19Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.49Å; Q319-E323 PolarHBondContact NE2-OE1 2.98Å; Q319-E323 WeakPolarHBondContact O-CG 3.34Å; Q319-E323 PolarHBondContact O-N 3Å |
| 320 | Q | 96.9 | Very high | 96 | Very high | 22 Ų | 22 | 67.2 Ų | 67.2 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 178.1 | -73.9 | -57.6 | -66.4 | 0 | 0 | 111.8 | F311 F316 A317 M322 E323 W324 | F311-Q320 HydrophobicContact CE1-CB 4.1Å; F311-Q320 HydrophobicContact CE1-CG 4.23Å; F311-Q320 HydrophobicContact CZ-CB 4.49Å; F311-Q320 HydrophobicContact CZ-CG 4.29Å; F316-Q320 HydrophobicContact CD1-CG 4.15Å; F316-Q320 HydrophobicContact CD2-CG 4.5Å; F316-Q320 HydrophobicContact CE1-CG 3.67Å; F316-Q320 HydrophobicContact CE2-CG 4.04Å; F316-Q320 HydrophobicContact CZ-CG 3.61Å; F316-Q320 WeakPolarHBondContact O-CG 3.46Å; F316-Q320 PolarHBondContact O-N 2.67Å; A317-Q320 PolarHBondContact O-N 3.08Å; Q320-M322 PolarHBondContact O-N 3.16Å; Q320-E323 PolarHBondContact NE2-OE2 2.91Å; Q320-E323 PolarHBondContact O-N 3.3Å; Q320-W324 HydrophobicContact CB-CD2 4.44Å; Q320-W324 HydrophobicContact CB-CH2 4.19Å; Q320-W324 HydrophobicContact CB-CZ2 3.8Å; Q320-W324 HydrophobicContact CG-CZ2 4.3Å; Q320-W324 WeakPolarHBondContact O-CB 3.49Å; Q320-W324 VanDerWaalsContact O-CD1 3.26Å; Q320-W324 VanDerWaalsContact O-CD2 3.25Å; Q320-W324 PolarHBondContact O-N 3.34Å |
| 321 | M | 96.5 | Very high | 96.2 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.6 | -73.8 | 179 | 63.5 | 0 | 0 | 112.4 | R254 F262 A317 E318 Q319 W324 Q325 | R254-M321 HydrophobicContact CB-CG 4.32Å; R254-M321 HydrophobicContact CB-SD 4.37Å; R254-M321 HydrophobicContact CG-CG 4.5Å; R254-M321 HydrophobicContact CG-SD 4Å; F262-M321 HydrophobicContact CE2-CE 4.18Å; A317-M321 VanDerWaalsContact O-CG 3.32Å; A317-M321 WeakPolarHBondContact O-CG 3.18Å; A317-M321 PolarHBondContact O-N 3.35Å; E318-M321 PolarHBondContact O-N 2.94Å; Q319-M321 VanDerWaalsContact C-N 3.3Å; Q319-M321 PolarHBondContact O-N 3.21Å; M321-W324 PolarHBondContact O-N 2.99Å; M321-Q325 WeakPolarHBondContact O-CB 3.39Å; M321-Q325 WeakPolarHBondContact O-CG 3.04Å; M321-Q325 PolarHBondContact O-N 3.09Å |
| 322 | M | 96.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 65.4 Ų | 65.4 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 176.1 | -70.1 | -173.9 | -66.7 | 0 | 0 | 112 | E318 Q319 Q320 W324 Q325 L326 | E318-M322 WeakPolarHBondContact O-CG 3.35Å; E318-M322 PolarHBondContact O-N 3.12Å; Q319-M322 PolarHBondContact O-N 3.19Å; Q320-M322 PolarHBondContact O-N 3.16Å; M322-W324 VanDerWaalsContact C-N 3.34Å; M322-W324 PolarHBondContact O-N 3.1Å; M322-Q325 PolarHBondContact O-N 3.3Å; M322-L326 PolarHBondContact O-N 3.5Å; M322-L326 VanDerWaalsContact O-N 3.12Å |
| 323 | E | 98 | Very high | 96.7 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.8 | -73.4 | 173.6 | -171.2 | 0 | 0 | 111.2 | Q319 Q320 L326 W327 | Q319-E323 WeakPolarHBondContact CG-OE1 3.49Å; Q319-E323 PolarHBondContact NE2-OE1 2.98Å; Q319-E323 WeakPolarHBondContact O-CG 3.34Å; Q319-E323 PolarHBondContact O-N 3Å; Q320-E323 PolarHBondContact NE2-OE2 2.91Å; Q320-E323 PolarHBondContact O-N 3.3Å; E323-L326 PolarHBondContact O-N 2.97Å; E323-W327 WeakPolarHBondContact O-CB 3.48Å; E323-W327 PolarHBondContact O-N 3.33Å |
| 324 | W | 98.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 67 Ų | 67 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 178.8 | -59.9 | -12.9 | 0 | 0 | 0 | 112.4 | L251 R254 L255 T258 P296 V297 W307 F311 Q320 M321 M322 L326 W327 F328 | L251-W324 HydrophobicContact CD1-CH2 3.63Å; L251-W324 HydrophobicContact CD1-CZ2 4.08Å; R254-W324 HydrophobicContact CB-CZ3 3.97Å; L255-W324 HydrophobicContact CB-CZ3 4.16Å; L255-W324 HydrophobicContact CD1-CD2 4.33Å; L255-W324 HydrophobicContact CD1-CE3 4.17Å; T258-W324 HydrophobicContact CG2-CB 3.84Å; P296-W324 HydrophobicContact CG-CB 4.08Å; P296-W324 HydrophobicContact CG-CD2 4.34Å; P296-W324 HydrophobicContact CG-CG 3.63Å; V297-W324 HydrophobicContact CG2-CH2 4.41Å; V297-W324 HydrophobicContact CG2-CZ2 3.6Å; W307-W324 HydrophobicContact CH2-CZ2 4.39Å; F311-W324 AromaticContact CE1-CH2 3.46Å; F311-W324 HydrophobicContact CE1-CH2 3.46Å; F311-W324 VanDerWaalsContact CE1-CH2 3.46Å; F311-W324 HydrophobicContact CE1-CZ2 4.06Å; F311-W324 HydrophobicContact CE1-CZ3 4.31Å; F311-W324 AromaticContact CZ-CH2 3.41Å; F311-W324 HydrophobicContact CZ-CH2 3.41Å; F311-W324 VanDerWaalsContact CZ-CH2 3.41Å; F311-W324 AromaticContact CZ-CZ2 3.7Å; F311-W324 HydrophobicContact CZ-CZ2 3.7Å; Q320-W324 HydrophobicContact CB-CD2 4.44Å; Q320-W324 HydrophobicContact CB-CH2 4.19Å; Q320-W324 HydrophobicContact CB-CZ2 3.8Å; Q320-W324 HydrophobicContact CG-CZ2 4.3Å; Q320-W324 WeakPolarHBondContact O-CB 3.49Å; Q320-W324 VanDerWaalsContact O-CD1 3.26Å; Q320-W324 VanDerWaalsContact O-CD2 3.25Å; Q320-W324 PolarHBondContact O-N 3.34Å; M321-W324 PolarHBondContact O-N 2.99Å; M322-W324 VanDerWaalsContact C-N 3.34Å; M322-W324 PolarHBondContact O-N 3.1Å; W324-L326 VanDerWaalsContact C-N 3.31Å; W324-L326 PolarHBondContact O-N 3.45Å; W324-W327 PolarHBondContact O-N 3.16Å; W324-F328 HydrophobicContact CB-CD2 4.37Å; W324-F328 HydrophobicContact CB-CE2 4.27Å; W324-F328 WeakPolarHBondContact O-CD2 3.48Å; W324-F328 PolarHBondContact O-N 3.49Å |
| 325 | Q | 97.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 60 Ų | 60 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 175 | -78.3 | 174 | 5.2 | 0 | 0 | 111.2 | T258 M321 M322 L329 | T258-Q325 HydrophobicContact CG2-CB 4.32Å; T258-Q325 HydrophobicContact CG2-CG 3.59Å; M321-Q325 WeakPolarHBondContact O-CB 3.39Å; M321-Q325 WeakPolarHBondContact O-CG 3.04Å; M321-Q325 PolarHBondContact O-N 3.09Å; M322-Q325 PolarHBondContact O-N 3.3Å; Q325-L329 VanDerWaalsContact O-CB 3.26Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 3.01Å |
| 326 | L | 97.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 56% | 0.56 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.2 | -69.4 | 174.7 | 0 | 0 | 0 | 111.7 | M322 E323 W324 L329 N330 | M322-L326 PolarHBondContact O-N 3.5Å; M322-L326 VanDerWaalsContact O-N 3.12Å; E323-L326 PolarHBondContact O-N 2.97Å; W324-L326 VanDerWaalsContact C-N 3.31Å; W324-L326 PolarHBondContact O-N 3.45Å; L326-L329 PolarHBondContact O-N 3.18Å; L326-N330 WeakPolarHBondContact O-CB 3.38Å; L326-N330 VanDerWaalsContact O-CG 3.24Å; L326-N330 PolarHBondContact O-N 3.37Å; L326-N330 PolarHBondContact O-ND2 3.35Å |
| 327 | W | 98.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 63 Ų | 63 | 27% | 0.265 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 179.4 | -173.6 | 94.5 | 0 | 0 | 0 | 111.7 | Q294 P296 E323 W324 L329 N330 N331 | Q294-W327 VanDerWaalsContact C-CH2 3.47Å; Q294-W327 HydrophobicContact CB-CH2 3.65Å; Q294-W327 HydrophobicContact CB-CZ2 4.3Å; Q294-W327 WeakPolarHBondContact O-CH2 3.4Å; Q294-W327 VanDerWaalsContact O-CZ3 3.31Å; Q294-W327 WeakPolarHBondContact O-CZ3 3.2Å; P296-W327 HydrophobicContact CB-CB 4.46Å; P296-W327 HydrophobicContact CB-CD2 3.77Å; P296-W327 HydrophobicContact CB-CE3 4.13Å; P296-W327 HydrophobicContact CB-CG 3.9Å; P296-W327 HydrophobicContact CG-CD2 4.26Å; P296-W327 HydrophobicContact CG-CE3 4.14Å; E323-W327 WeakPolarHBondContact O-CB 3.48Å; E323-W327 PolarHBondContact O-N 3.33Å; W324-W327 PolarHBondContact O-N 3.16Å; W327-L329 VanDerWaalsContact C-N 3.34Å; W327-L329 PolarHBondContact O-N 2.97Å; W327-N330 PolarHBondContact O-N 2.91Å; W327-N331 WeakPolarHBondContact CH2-ND2 3.4Å; W327-N331 WeakPolarHBondContact CZ2-ND2 3.41Å; W327-N331 WeakPolarHBondContact CZ3-ND2 3.47Å; W327-N331 PolarHBondContact O-N 3.17Å |
| 328 | F | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -32.7 | 179.9 | -72.6 | -71 | 0 | 0 | 0 | 112.7 | L255 T258 A259 R263 V295 P296 W324 N330 Q332 | L255-F328 HydrophobicContact CD1-CE2 3.84Å; L255-F328 HydrophobicContact CD1-CZ 3.79Å; T258-F328 HydrophobicContact CG2-CD2 4Å; T258-F328 HydrophobicContact CG2-CE2 4.25Å; A259-F328 HydrophobicContact CB-CD1 4.4Å; A259-F328 HydrophobicContact CB-CD2 4.3Å; A259-F328 HydrophobicContact CB-CE1 3.71Å; A259-F328 HydrophobicContact CB-CE2 3.61Å; A259-F328 HydrophobicContact CB-CZ 3.28Å; R263-F328 PolarHBondContact NH1-O 3.34Å; R263-F328 VanDerWaalsContact NH1-O 3.13Å; V295-F328 HydrophobicContact CG1-CE1 4.4Å; V295-F328 HydrophobicContact CG1-CZ 4.22Å; P296-F328 HydrophobicContact CG-CE2 4.24Å; P296-F328 HydrophobicContact CG-CZ 4.36Å; W324-F328 HydrophobicContact CB-CD2 4.37Å; W324-F328 HydrophobicContact CB-CE2 4.27Å; W324-F328 WeakPolarHBondContact O-CD2 3.48Å; W324-F328 PolarHBondContact O-N 3.49Å; F328-N330 VanDerWaalsContact C-N 3.35Å; F328-Q332 WeakPolarHBondContact O-CB 3.46Å; F328-Q332 PolarHBondContact O-N 2.99Å |
| 329 | L | 96.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.2 | 177.7 | 63.6 | 0 | 0 | 0 | 110.9 | Q325 L326 W327 Q332 R333 | Q325-L329 VanDerWaalsContact O-CB 3.26Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 3.01Å; L326-L329 PolarHBondContact O-N 3.18Å; W327-L329 VanDerWaalsContact C-N 3.34Å; W327-L329 PolarHBondContact O-N 2.97Å; L329-Q332 PolarHBondContact O-N 3.33Å; L329-R333 WeakPolarHBondContact O-CG 3.42Å; L329-R333 PolarHBondContact O-N 2.88Å |
| 330 | N | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 62 Ų | 62 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 179 | -72.7 | -20.2 | 0 | 0 | 0 | 111.9 | L326 W327 F328 Q332 R333 L334 | L326-N330 WeakPolarHBondContact O-CB 3.38Å; L326-N330 VanDerWaalsContact O-CG 3.24Å; L326-N330 PolarHBondContact O-N 3.37Å; L326-N330 PolarHBondContact O-ND2 3.35Å; W327-N330 PolarHBondContact O-N 2.91Å; F328-N330 VanDerWaalsContact C-N 3.35Å; N330-Q332 VanDerWaalsContact C-N 3.32Å; N330-Q332 PolarHBondContact O-N 3.18Å; N330-R333 PolarHBondContact O-N 2.86Å; N330-L334 WeakPolarHBondContact O-CB 3.32Å; N330-L334 PolarHBondContact O-N 2.95Å |
| 331 | N | 98.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.7 | -80.9 | 10.7 | 0 | 0 | 0 | 112.3 | L291 W327 L334 A335 | L291-N331 WeakPolarHBondContact O-CB 3.49Å; W327-N331 WeakPolarHBondContact CH2-ND2 3.4Å; W327-N331 WeakPolarHBondContact CZ2-ND2 3.41Å; W327-N331 WeakPolarHBondContact CZ3-ND2 3.47Å; W327-N331 PolarHBondContact O-N 3.17Å; N331-L334 PolarHBondContact O-N 3.06Å; N331-A335 WeakPolarHBondContact O-CB 3.35Å; N331-A335 PolarHBondContact O-N 3.34Å |
| 332 | Q | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.4 | -175 | 178.7 | -13.3 | 0 | 0 | 111.7 | Q266 A270 F328 L329 N330 L334 A335 I336 | Q266-Q332 VanDerWaalsContact C-NE2 3.31Å; Q266-Q332 PolarHBondContact O-NE2 2.66Å; A270-Q332 HydrophobicContact CB-CG 4.11Å; F328-Q332 WeakPolarHBondContact O-CB 3.46Å; F328-Q332 PolarHBondContact O-N 2.99Å; L329-Q332 PolarHBondContact O-N 3.33Å; N330-Q332 VanDerWaalsContact C-N 3.32Å; N330-Q332 PolarHBondContact O-N 3.18Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 3.02Å; Q332-A335 WeakPolarHBondContact O-CB 3.31Å; Q332-A335 PolarHBondContact O-N 3.37Å; Q332-I336 WeakPolarHBondContact O-CG1 3.38Å; Q332-I336 PolarHBondContact O-N 2.8Å |
| 333 | R | 97 | Very high | 97 | Very high | 155 Ų | 155 | 71.8 Ų | 71.8 | 59% | 0.585 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 176.1 | -76.8 | 174.8 | 174.6 | 170.5 | -2.5 | 111.8 | L329 N330 A335 I336 K337 | L329-R333 WeakPolarHBondContact O-CG 3.42Å; L329-R333 PolarHBondContact O-N 2.88Å; N330-R333 PolarHBondContact O-N 2.86Å; R333-A335 VanDerWaalsContact C-N 3.35Å; R333-I336 PolarHBondContact O-N 3.36Å; R333-K337 WeakPolarHBondContact O-CB 3.33Å; R333-K337 PolarHBondContact O-N 2.9Å |
| 334 | L | 98.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 71.1 Ų | 71.1 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.4 | -177.1 | 58.7 | 0 | 0 | 0 | 111.7 | L291 N330 N331 Q332 K337 K338 | L291-L334 HydrophobicContact CD1-CB 4.19Å; L291-L334 HydrophobicContact CD1-CD2 4.04Å; L291-L334 HydrophobicContact CD1-CG 3.78Å; L291-L334 HydrophobicContact CD2-CD2 3.84Å; L291-L334 HydrophobicContact CD2-CG 4.43Å; N330-L334 WeakPolarHBondContact O-CB 3.32Å; N330-L334 PolarHBondContact O-N 2.95Å; N331-L334 PolarHBondContact O-N 3.06Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 3.02Å; L334-K337 PolarHBondContact O-N 3.11Å; L334-K338 WeakPolarHBondContact O-CB 3.46Å; L334-K338 WeakPolarHBondContact O-CG 3.45Å; L334-K338 PolarHBondContact O-N 3.11Å |
| 335 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I288 L291 L292 N331 Q332 R333 K337 K338 L339 | I288-A335 HydrophobicContact CG2-CB 3.9Å; L291-A335 HydrophobicContact CB-CB 4Å; L291-A335 HydrophobicContact CD1-CB 4.11Å; L292-A335 HydrophobicContact CD2-CB 3.73Å; L292-A335 HydrophobicContact CG-CB 4.13Å; N331-A335 WeakPolarHBondContact O-CB 3.35Å; N331-A335 PolarHBondContact O-N 3.34Å; Q332-A335 WeakPolarHBondContact O-CB 3.31Å; Q332-A335 PolarHBondContact O-N 3.37Å; R333-A335 VanDerWaalsContact C-N 3.35Å; A335-K337 PolarHBondContact O-N 2.87Å; A335-K338 PolarHBondContact O-N 2.91Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.42Å; A335-L339 PolarHBondContact O-N 3.44Å |
| 336 | I | 97.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 73.9 Ų | 73.9 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.5 | -65.1 | -60.4 | 0 | 0 | 0 | 111.1 | A270 A273 Q332 R333 K338 L339 E340 | A270-I336 HydrophobicContact CB-CD1 4.14Å; A273-I336 HydrophobicContact CB-CD1 4.36Å; Q332-I336 WeakPolarHBondContact O-CG1 3.38Å; Q332-I336 PolarHBondContact O-N 2.8Å; R333-I336 PolarHBondContact O-N 3.36Å; I336-K338 PolarHBondContact O-N 3.13Å; I336-L339 HydrophobicContact CD1-CD1 4.43Å; I336-L339 WeakPolarHBondContact O-CB 3.33Å; I336-L339 PolarHBondContact O-N 3.49Å; I336-L339 VanDerWaalsContact O-N 3.09Å; I336-E340 HydrophobicContact CG2-CG 4.44Å; I336-E340 WeakPolarHBondContact O-CG 3.49Å; I336-E340 PolarHBondContact O-N 3.09Å |
| 337 | K | 98 | Very high | 96.7 | Very high | 120 Ų | 120 | 72 Ų | 72 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 177.2 | -174.5 | -174.5 | 177.2 | -168.6 | 0 | 111.9 | R333 L334 A335 L339 E340 E341 | R333-K337 WeakPolarHBondContact O-CB 3.33Å; R333-K337 PolarHBondContact O-N 2.9Å; L334-K337 PolarHBondContact O-N 3.11Å; A335-K337 PolarHBondContact O-N 2.87Å; K337-L339 VanDerWaalsContact C-N 3.28Å; K337-L339 PolarHBondContact O-N 3.02Å; K337-E340 WeakPolarHBondContact O-CB 3.11Å; K337-E340 PolarHBondContact O-N 3.04Å; K337-E340 VanDerWaalsContact O-N 3.14Å; K337-E341 VanDerWaalsContact CE-OE1 3.23Å; K337-E341 WeakPolarHBondContact CE-OE1 3.24Å; K337-E341 IonicContact NZ-OE1 2.72Å; K337-E341 WeakPolarHBondContact O-CG 3.32Å; K337-E341 PolarHBondContact O-N 3.26Å |
| 338 | K | 98.4 | Very high | 96.6 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 27% | 0.265 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 176.2 | -78.9 | 177.9 | 169.5 | -86.1 | 0 | 112.5 | E287 I288 L291 L334 A335 I336 L342 | E287-K338 IonicContact OE2-NZ 2.84Å; E287-K338 PolarHBondContact OE2-NZ 3.23Å; I288-K338 HydrophobicContact CD1-CB 3.8Å; I288-K338 HydrophobicContact CG1-CB 4.02Å; I288-K338 HydrophobicContact CG1-CD 4.28Å; L291-K338 HydrophobicContact CD1-CD 3.89Å; L334-K338 WeakPolarHBondContact O-CB 3.46Å; L334-K338 WeakPolarHBondContact O-CG 3.45Å; L334-K338 PolarHBondContact O-N 3.11Å; A335-K338 PolarHBondContact O-N 2.91Å; I336-K338 PolarHBondContact O-N 3.13Å; K338-L342 WeakPolarHBondContact O-CG 3.3Å |
| 339 | L | 98 | Very high | 96.5 | Very high | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.4 | -35.6 | 174.8 | -70.3 | 167.5 | 0 | 0 | 0 | 112.1 | A273 L274 T277 L285 I288 A335 I336 K337 L342 | A273-L339 HydrophobicContact CB-CD1 3.86Å; L274-L339 HydrophobicContact CB-CD1 4.15Å; L274-L339 HydrophobicContact CB-CD2 4.42Å; L274-L339 HydrophobicContact CD1-CD2 4.02Å; T277-L339 HydrophobicContact CG2-CD2 3.9Å; L285-L339 HydrophobicContact CD1-CD2 4.05Å; I288-L339 HydrophobicContact CD1-CD2 3.63Å; I288-L339 HydrophobicContact CD1-CG 3.9Å; I288-L339 HydrophobicContact CG2-CD1 4.19Å; I288-L339 HydrophobicContact CG2-CD2 4.13Å; I288-L339 HydrophobicContact CG2-CG 3.96Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.42Å; A335-L339 PolarHBondContact O-N 3.44Å; I336-L339 HydrophobicContact CD1-CD1 4.43Å; I336-L339 WeakPolarHBondContact O-CB 3.33Å; I336-L339 PolarHBondContact O-N 3.49Å; I336-L339 VanDerWaalsContact O-N 3.09Å; K337-L339 VanDerWaalsContact C-N 3.28Å; K337-L339 PolarHBondContact O-N 3.02Å; L339-L342 PolarHBondContact O-N 2.86Å |
| 340 | E | 96 | Very high | 96.5 | Very high | 105 Ų | 105 | 77.6 Ų | 77.6 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 175.6 | -71.7 | 174.5 | 162.7 | 0 | 0 | 112.4 | I336 K337 L342 K343 | I336-E340 HydrophobicContact CG2-CG 4.44Å; I336-E340 WeakPolarHBondContact O-CG 3.49Å; I336-E340 PolarHBondContact O-N 3.09Å; K337-E340 WeakPolarHBondContact O-CB 3.11Å; K337-E340 PolarHBondContact O-N 3.04Å; K337-E340 VanDerWaalsContact O-N 3.14Å; E340-L342 PolarHBondContact O-N 3.31Å; E340-K343 WeakPolarHBondContact O-CB 2.94Å; E340-K343 PolarHBondContact O-N 3.14Å; E340-K343 VanDerWaalsContact O-N 3.16Å |
| 341 | E | 97 | Very high | 96.4 | Very high | 124 Ų | 124 | 76.8 Ų | 76.8 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16 | 173.7 | -70 | 167.7 | -177.8 | 0 | 0 | 113.4 | K337 | K337-E341 VanDerWaalsContact CE-OE1 3.23Å; K337-E341 WeakPolarHBondContact CE-OE1 3.24Å; K337-E341 IonicContact NZ-OE1 2.72Å; K337-E341 WeakPolarHBondContact O-CG 3.32Å; K337-E341 PolarHBondContact O-N 3.26Å |
| 342 | L | 95.7 | Very high | 96.3 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -5 | 177.9 | -67.6 | 171.7 | 0 | 0 | 0 | 113.5 | T277 R280 L281 L285 I288 K338 L339 E340 | T277-L342 HydrophobicContact CG2-CB 4.21Å; T277-L342 HydrophobicContact CG2-CD1 4.21Å; R280-L342 PolarHBondContact NH1-O 3.11Å; R280-L342 PolarHBondContact NH2-O 3.29Å; L281-L342 HydrophobicContact CD1-CB 4.4Å; L281-L342 HydrophobicContact CD1-CD1 4.22Å; L281-L342 HydrophobicContact CD1-CD2 4.42Å; L285-L342 HydrophobicContact CD1-CD1 3.73Å; L285-L342 HydrophobicContact CD2-CD1 3.96Å; I288-L342 HydrophobicContact CD1-CD1 3.86Å; K338-L342 WeakPolarHBondContact O-CG 3.3Å; L339-L342 PolarHBondContact O-N 2.86Å; E340-L342 PolarHBondContact O-N 3.31Å |
| 343 | K | 83.5 | Confident | 96.2 | Very high | 195 Ų | 195 | 86.5 Ų | 86.5 | 85% | 0.848 | 39% | 0.39 | S | S | * | . | trans | -68.8 | 0 | 173.7 | -69.2 | 179.9 | -178.4 | 170.4 | 0 | 109.2 | E340 | E340-K343 WeakPolarHBondContact O-CB 2.94Å; E340-K343 PolarHBondContact O-N 3.14Å; E340-K343 VanDerWaalsContact O-N 3.16Å |
Retrieved 343 of 343 residues in 109 ms
(Link to these results)