| 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 | 42.9 | Very low | 58.6 | Low | 148 Ų | 148 | 83.5 Ų | 83.5 | 73% | 0.729 | 46% | 0.456 | S | S | * | . | 0 | -30.6 | 0 | -71.4 | -168.1 | -137 | 0 | 0 | 113.6 | S3 L4 W5 | M1-S3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-W5 VanDerWaalsContact O-CD1 3.3Å; M1-W5 PolarHBondContact O-NE1 2.9Å | |||
| 2 | S | 45.3 | Very low | 61.5 | Low | 61 Ų | 61 | 81.8 Ų | 81.8 | 43% | 0.427 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -48 | -30.8 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 116.4 | R157 | S2-R157 PolarHBondContact OG-NH2 3.34Å |
| 3 | S | 47.5 | Very low | 64.1 | Low | 84 Ų | 84 | 83.2 Ų | 83.2 | 59% | 0.587 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.8 | -33.8 | -176 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | M1 W5 E6 S7 | M1-S3 PolarHBondContact O-N 2.65Å; S3-W5 VanDerWaalsContact C-N 3.26Å; S3-W5 PolarHBondContact O-N 3.13Å; S3-E6 PolarHBondContact O-N 3.46Å; S3-S7 WeakPolarHBondContact O-CB 3.36Å; S3-S7 PolarHBondContact O-N 2.89Å; S3-S7 PolarHBondContact O-OG 2.82Å |
| 4 | L | 49.7 | Very low | 66.3 | Low | 103 Ų | 103 | 85.6 Ų | 85.6 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.4 | -27 | -173 | -98.3 | 127 | 0 | 0 | 0 | 113.7 | M1 P204 | M1-L4 PolarHBondContact O-N 3.29Å; L4-P204 HydrophobicContact CD2-CG 4.44Å |
| 5 | W | 56.5 | Low | 68.4 | Low | 19 Ų | 19 | 80.5 Ų | 80.5 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -90.5 | -20.1 | -172.8 | -38 | 116.1 | 0 | 0 | 0 | 113.1 | M1 S3 A153 P204 M206 | M1-W5 VanDerWaalsContact O-CD1 3.3Å; M1-W5 PolarHBondContact O-NE1 2.9Å; S3-W5 VanDerWaalsContact C-N 3.26Å; S3-W5 PolarHBondContact O-N 3.13Å; W5-A153 HydrophobicContact CB-CB 4.49Å; W5-P204 HydrophobicContact CE3-CG 4.36Å; W5-P204 HydrophobicContact CH2-CB 3.43Å; W5-P204 VanDerWaalsContact CH2-CB 3.43Å; W5-P204 HydrophobicContact CH2-CG 3.94Å; W5-P204 WeakPolarHBondContact CH2-O 3.11Å; W5-P204 HydrophobicContact CZ2-CB 4.5Å; W5-P204 HydrophobicContact CZ3-CB 3.55Å; W5-P204 HydrophobicContact CZ3-CG 3.5Å; W5-P204 VanDerWaalsContact CZ3-CG 3.5Å; W5-P204 WeakPolarHBondContact CZ3-O 3.24Å; W5-M206 HydrophobicContact CD2-CE 4.21Å; W5-M206 HydrophobicContact CD2-CG 4.35Å; W5-M206 HydrophobicContact CD2-SD 3.16Å; W5-M206 HydrophobicContact CE3-CE 4.49Å; W5-M206 HydrophobicContact CE3-CG 3.85Å; W5-M206 HydrophobicContact CE3-SD 3.25Å; W5-M206 HydrophobicContact CG-CE 4.19Å; W5-M206 HydrophobicContact CG-SD 3.74Å; W5-M206 HydrophobicContact CH2-CG 3.88Å; W5-M206 HydrophobicContact CH2-SD 3.46Å; W5-M206 WeakPolarHBondContact CH2-SD 3.19Å; W5-M206 HydrophobicContact CZ2-CG 4.47Å; W5-M206 HydrophobicContact CZ2-SD 3.48Å; W5-M206 WeakPolarHBondContact CZ2-SD 3.43Å; W5-M206 HydrophobicContact CZ3-CG 3.55Å; W5-M206 HydrophobicContact CZ3-SD 3.37Å; W5-M206 WeakPolarHBondContact CZ3-SD 3.38Å |
| 6 | E | 50.8 | Low | 70.2 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -109.9 | -18.1 | -176.5 | -64.5 | -178.8 | 178 | 0 | 0 | 112.3 | S3 R157 | S3-E6 PolarHBondContact O-N 3.46Å; E6-R157 IonicContact OE1-CZ 3.25Å; E6-R157 IonicContact OE1-NH1 3.93Å; E6-R157 PolarHBondContact OE1-NH1 2.86Å; E6-R157 IonicContact OE1-NH2 2.93Å; E6-R157 PolarHBondContact OE1-NH2 3.28Å |
| 7 | S | 50.7 | Low | 71.8 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 65% | 0.65 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -76.1 | -24.9 | -172.8 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | S3 | S3-S7 WeakPolarHBondContact O-CB 3.36Å; S3-S7 PolarHBondContact O-N 2.89Å; S3-S7 PolarHBondContact O-OG 2.82Å |
| 8 | G | 59.6 | Low | 73.2 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -92.9 | -45 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D181 | G8-D181 WeakPolarHBondContact CA-OD2 3.25Š|
| 9 | Y | 71.6 | Confident | 74.5 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | trans | -116.3 | 117 | -169.9 | -76.9 | -97.7 | 0 | 0 | 0 | 112.7 | I11 T144 G146 E147 D181 | Y9-I11 PolarHBondContact O-N 3.39Å; Y9-T144 WeakPolarHBondContact CE1-OG1 3.07Å; Y9-G146 VanDerWaalsContact CD2-CA 3.43Å; Y9-E147 HydrophobicContact CD1-CG 3.97Å; Y9-E147 HydrophobicContact CE1-CG 4.39Å; Y9-D181 PolarHBondContact OH-OD1 3.05Å | ||
| 10 | K | 78.8 | Confident | 75.7 | Confident | 203 Ų | 203 | 79.2 Ų | 79.2 | 88% | 0.883 | 41% | 0.408 | S | S | * | . | trans | -77.4 | 115 | 173.8 | -69.1 | -176.3 | -179.3 | 177.9 | 0 | 110.1 | E12 | K10-E12 PolarHBondContact O-N 3.2Š| ||
| 11 | I | 91.7 | Very high | 76.6 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.072 | 41% | 0.407 | C | S | . | . | trans | -67.3 | 127.9 | 168.6 | -53.5 | 173.8 | 0 | 0 | 0 | 108.8 | Y9 V15 R16 A150 K151 Y154 | Y9-I11 PolarHBondContact O-N 3.39Å; I11-V15 HydrophobicContact CG2-CB 3.95Å; I11-V15 HydrophobicContact CG2-CG1 3.78Å; I11-R16 HydrophobicContact CB-CG 4.43Å; I11-R16 HydrophobicContact CG2-CG 3.9Å; I11-A150 HydrophobicContact CD1-CB 4.31Å; I11-A150 WeakPolarHBondContact CD1-O 3.2Å; I11-A150 HydrophobicContact CG1-CB 3.94Å; I11-K151 HydrophobicContact CG1-CG 4.5Å; I11-K151 HydrophobicContact CG2-CG 4.42Å; I11-Y154 HydrophobicContact CD1-CD1 4.23Å; I11-Y154 HydrophobicContact CD1-CD2 4.35Å; I11-Y154 HydrophobicContact CD1-CG 3.69Å | ||
| 12 | E | 93.1 | Very high | 79.2 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -57.8 | 134.1 | -179.7 | -51.8 | 89.1 | 151.8 | 0 | 0 | 110.2 | K10 E14 V15 R16 K151 | K10-E12 PolarHBondContact O-N 3.2Å; E12-E14 HydrophobicContact CB-CG 3.9Å; E12-E14 PolarHBondContact O-N 2.96Å; E12-E14 VanDerWaalsContact O-N 3.14Å; E12-V15 HydrophobicContact CB-CG2 4.16Å; E12-V15 WeakPolarHBondContact O-CB 3.31Å; E12-V15 PolarHBondContact O-N 3.43Å; E12-R16 PolarHBondContact O-N 2.88Å; E12-K151 IonicContact OE1-NZ 3.17Å; E12-K151 PolarHBondContact OE1-NZ 2.92Å; E12-K151 WeakPolarHBondContact OE2-CE 3.18Å; E12-K151 IonicContact OE2-NZ 3.48Å; E12-K151 PolarHBondContact OE2-NZ 3.44Å; E12-K151 VanDerWaalsContact OE2-NZ 3.17Å | ||
| 13 | P | 94.7 | Very high | 81.7 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.2 | -35.6 | -177.6 | -28.4 | 35.3 | 0 | 0 | 0 | 113.6 | V15 R16 I17 | P13-V15 VanDerWaalsContact C-N 3.33Å; P13-V15 PolarHBondContact O-N 3.41Å; P13-R16 WeakPolarHBondContact O-CB 3.22Å; P13-R16 PolarHBondContact O-N 3.34Å; P13-I17 WeakPolarHBondContact O-CG1 3.34Å; P13-I17 PolarHBondContact O-N 2.95Å |
| 14 | E | 96 | Very high | 83.9 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 176.1 | 57.8 | 176.3 | -150.4 | 0 | 0 | 113.5 | E12 K18 | E12-E14 HydrophobicContact CB-CG 3.9Å; E12-E14 PolarHBondContact O-N 2.96Å; E12-E14 VanDerWaalsContact O-N 3.14Å; E14-K18 WeakPolarHBondContact O-CB 3.39Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.32Å |
| 15 | V | 96.7 | Very high | 86 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.5 | 169.6 | 0 | 0 | 0 | 0 | 109.3 | I11 E12 P13 I17 K18 V19 I140 | I11-V15 HydrophobicContact CG2-CB 3.95Å; I11-V15 HydrophobicContact CG2-CG1 3.78Å; E12-V15 HydrophobicContact CB-CG2 4.16Å; E12-V15 WeakPolarHBondContact O-CB 3.31Å; E12-V15 PolarHBondContact O-N 3.43Å; P13-V15 VanDerWaalsContact C-N 3.33Å; P13-V15 PolarHBondContact O-N 3.41Å; V15-I17 PolarHBondContact O-N 2.93Å; V15-K18 PolarHBondContact O-N 3.44Å; V15-V19 HydrophobicContact CG1-CG2 4.3Å; V15-V19 WeakPolarHBondContact O-CB 3.5Å; V15-V19 VanDerWaalsContact O-CG2 3.26Å; V15-V19 WeakPolarHBondContact O-CG2 3.24Å; V15-V19 PolarHBondContact O-N 3.45Å; V15-I140 HydrophobicContact CG1-CD1 4.3Å; V15-I140 HydrophobicContact CG1-CG2 3.87Å |
| 16 | R | 97.2 | Very high | 87.9 | Confident | 93 Ų | 93 | 67 Ų | 67 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.1 | -64 | -177.1 | 178.8 | -95.1 | 5.3 | 112 | I11 E12 P13 R20 Y154 | I11-R16 HydrophobicContact CB-CG 4.43Å; I11-R16 HydrophobicContact CG2-CG 3.9Å; E12-R16 PolarHBondContact O-N 2.88Å; P13-R16 WeakPolarHBondContact O-CB 3.22Å; P13-R16 PolarHBondContact O-N 3.34Å; R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 2.93Å; R16-Y154 WeakPolarHBondContact CA-OH 3.31Å; R16-Y154 HydrophobicContact CB-CE1 4.14Å; R16-Y154 WeakPolarHBondContact CB-OH 3.32Å; R16-Y154 HydrophobicContact CG-CE1 3.95Å; R16-Y154 HydrophobicContact CG-CE2 4.24Å; R16-Y154 VanDerWaalsContact NH1-CD2 3.26Å; R16-Y154 PolarHBondContact O-OH 3.34Å |
| 17 | I | 97.8 | Very high | 89.8 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.7 | -53.4 | 177.4 | -66.6 | 165.3 | 0 | 0 | 0 | 110.3 | P13 V15 V19 R20 D21 | P13-I17 WeakPolarHBondContact O-CG1 3.34Å; P13-I17 PolarHBondContact O-N 2.95Å; V15-I17 PolarHBondContact O-N 2.93Å; I17-V19 VanDerWaalsContact C-N 3.33Å; I17-V19 PolarHBondContact O-N 3.47Å; I17-R20 PolarHBondContact O-N 3.5Å; I17-D21 WeakPolarHBondContact CG2-OD2 3.41Å; I17-D21 WeakPolarHBondContact O-CB 3.31Å; I17-D21 PolarHBondContact O-N 2.85Å |
| 18 | K | 97.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56 | -44.8 | -179.1 | -75.2 | 172.1 | -178 | 172.1 | 0 | 112.8 | E14 V15 F22 L138 I140 | E14-K18 WeakPolarHBondContact O-CB 3.39Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.32Å; V15-K18 PolarHBondContact O-N 3.44Å; K18-F22 VanDerWaalsContact O-CB 3.3Å; K18-F22 WeakPolarHBondContact O-CB 3.5Å; K18-F22 PolarHBondContact O-N 3.5Å; K18-F22 VanDerWaalsContact O-N 3.13Å; K18-L138 HydrophobicContact CB-CD1 4.17Å; K18-I140 HydrophobicContact CB-CD1 4.49Å |
| 19 | V | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -48.1 | 179.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | V15 I17 F22 V23 L138 I140 Y154 I155 Q158 | V15-V19 HydrophobicContact CG1-CG2 4.3Å; V15-V19 WeakPolarHBondContact O-CB 3.5Å; V15-V19 VanDerWaalsContact O-CG2 3.26Å; V15-V19 WeakPolarHBondContact O-CG2 3.24Å; V15-V19 PolarHBondContact O-N 3.45Å; I17-V19 VanDerWaalsContact C-N 3.33Å; I17-V19 PolarHBondContact O-N 3.47Å; V19-F22 PolarHBondContact O-N 3.44Å; V19-V23 HydrophobicContact CG1-CG2 4.4Å; V19-V23 WeakPolarHBondContact O-CB 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.22Å; V19-L138 HydrophobicContact CG2-CD2 4.08Å; V19-I140 HydrophobicContact CG2-CD1 4.02Å; V19-I140 HydrophobicContact CG2-CG1 4.15Å; V19-Y154 HydrophobicContact CB-CE1 4.07Å; V19-Y154 HydrophobicContact CG1-CE1 4.05Å; V19-I155 HydrophobicContact CG1-CG1 4.04Å; V19-I155 HydrophobicContact CG2-CD1 4.4Å; V19-I155 HydrophobicContact CG2-CG1 3.93Å; V19-Q158 HydrophobicContact CG1-CB 4.3Å; V19-Q158 HydrophobicContact CG1-CG 4Å |
| 20 | R | 97 | Very high | 92.8 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 179.5 | -177.3 | -165.1 | 61.3 | -136.3 | -12.3 | 111.1 | R16 I17 F22 V23 E24 | R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 2.93Å; I17-R20 PolarHBondContact O-N 3.5Å; R20-F22 VanDerWaalsContact C-N 3.27Å; R20-F22 PolarHBondContact O-N 2.94Å; R20-V23 PolarHBondContact O-N 3.14Å; R20-V23 VanDerWaalsContact O-N 3.14Å; R20-E24 VanDerWaalsContact CD-OE1 3.3Å; R20-E24 WeakPolarHBondContact CD-OE1 3.11Å; R20-E24 HydrophobicContact CG-CG 4.24Å; R20-E24 VanDerWaalsContact CG-OE1 3.24Å; R20-E24 WeakPolarHBondContact CG-OE1 3.39Å; R20-E24 IonicContact NE-OE1 3.52Å; R20-E24 WeakPolarHBondContact O-CB 3.41Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.3Å |
| 21 | D | 96.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 68.7 Ų | 68.7 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | -178.2 | -62.5 | 1.2 | 0 | 0 | 0 | 111.2 | I17 Q25 | I17-D21 WeakPolarHBondContact CG2-OD2 3.41Å; I17-D21 WeakPolarHBondContact O-CB 3.31Å; I17-D21 PolarHBondContact O-N 2.85Å; D21-Q25 VanDerWaalsContact O-CB 3.31Å; D21-Q25 WeakPolarHBondContact O-CB 3.29Å; D21-Q25 PolarHBondContact O-N 3.19Å; D21-Q25 VanDerWaalsContact O-N 3.1Å |
| 22 | F | 97.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 174.7 | -172.3 | -92.3 | 0 | 0 | 0 | 112.3 | K18 V19 R20 Q25 H26 I34 A73 I75 K135 L138 | K18-F22 VanDerWaalsContact O-CB 3.3Å; K18-F22 WeakPolarHBondContact O-CB 3.5Å; K18-F22 PolarHBondContact O-N 3.5Å; K18-F22 VanDerWaalsContact O-N 3.13Å; V19-F22 PolarHBondContact O-N 3.44Å; R20-F22 VanDerWaalsContact C-N 3.27Å; R20-F22 PolarHBondContact O-N 2.94Å; F22-Q25 PolarHBondContact O-N 2.83Å; F22-H26 AromaticContact CD1-CD2 3.75Å; F22-H26 AromaticContact CE1-CD2 3.49Å; F22-H26 VanDerWaalsContact CE1-CD2 3.49Å; F22-H26 WeakPolarHBondContact CE1-CD2 3.22Å; F22-H26 AromaticContact CE1-NE2 3.78Å; F22-H26 AromaticContact CE2-CD2 3.99Å; F22-H26 AromaticContact CE2-NE2 3.56Å; F22-H26 AromaticContact CZ-CD2 3.63Å; F22-H26 AromaticContact CZ-NE2 3.39Å; F22-H26 WeakPolarHBondContact CZ-NE2 3.49Å; F22-H26 PolarHBondContact O-CD2 3.33Å; F22-H26 PolarHBondContact O-N 2.85Å; F22-I34 HydrophobicContact CD1-CD1 4.2Å; F22-I34 HydrophobicContact CE1-CD1 3.93Å; F22-A73 HydrophobicContact CE1-CB 4.2Å; F22-A73 HydrophobicContact CZ-CB 4.17Å; F22-I75 HydrophobicContact CD1-CD1 4.1Å; F22-I75 HydrophobicContact CD1-CG1 3.75Å; F22-I75 HydrophobicContact CE1-CD1 4.44Å; F22-I75 HydrophobicContact CE1-CG1 3.68Å; F22-K135 WeakPolarHBondContact CE2-O 3.22Å; F22-L138 HydrophobicContact CB-CD2 3.77Å; F22-L138 HydrophobicContact CD1-CB 4.28Å; F22-L138 HydrophobicContact CD1-CD2 4.3Å; F22-L138 HydrophobicContact CD2-CB 3.69Å; F22-L138 HydrophobicContact CD2-CD2 4.39Å; F22-L138 HydrophobicContact CE1-CB 4.34Å; F22-L138 HydrophobicContact CE2-CB 3.73Å; F22-L138 HydrophobicContact CG-CB 3.96Å; F22-L138 HydrophobicContact CG-CD2 3.93Å; F22-L138 HydrophobicContact CZ-CB 4.07Å |
| 23 | V | 96.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 177.5 | 159.8 | 0 | 0 | 0 | 0 | 110.9 | V19 R20 Q25 H26 L27 I75 Q158 L159 F162 | V19-V23 HydrophobicContact CG1-CG2 4.4Å; V19-V23 WeakPolarHBondContact O-CB 3.24Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.22Å; R20-V23 PolarHBondContact O-N 3.14Å; R20-V23 VanDerWaalsContact O-N 3.14Å; V23-Q25 VanDerWaalsContact C-N 3.28Å; V23-Q25 PolarHBondContact O-N 3.13Å; V23-H26 PolarHBondContact O-N 3.37Å; V23-H26 VanDerWaalsContact O-N 3.13Å; V23-L27 HydrophobicContact CG1-CD1 3.69Å; V23-L27 HydrophobicContact CG1-CG 4.2Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 2.96Å; V23-I75 HydrophobicContact CG2-CD1 4.22Å; V23-Q158 HydrophobicContact CG1-CB 4.44Å; V23-Q158 HydrophobicContact CG2-CB 4.01Å; V23-L159 HydrophobicContact CG2-CD2 4.2Å; V23-F162 HydrophobicContact CG1-CE2 4.01Å |
| 24 | E | 94.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 63.7 Ų | 63.7 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 177.5 | -73.9 | 174.8 | -177.3 | 0 | 0 | 111.4 | R20 H26 L27 T28 | R20-E24 VanDerWaalsContact CD-OE1 3.3Å; R20-E24 WeakPolarHBondContact CD-OE1 3.11Å; R20-E24 HydrophobicContact CG-CG 4.24Å; R20-E24 VanDerWaalsContact CG-OE1 3.24Å; R20-E24 WeakPolarHBondContact CG-OE1 3.39Å; R20-E24 IonicContact NE-OE1 3.52Å; R20-E24 WeakPolarHBondContact O-CB 3.41Å; R20-E24 WeakPolarHBondContact O-CG 3.28Å; R20-E24 PolarHBondContact O-N 3.3Å; E24-H26 VanDerWaalsContact C-N 3.34Å; E24-H26 PolarHBondContact O-N 2.99Å; E24-L27 PolarHBondContact O-N 2.81Å; E24-T28 WeakPolarHBondContact O-CG2 3.46Å; E24-T28 PolarHBondContact O-N 3.33Å |
| 25 | Q | 94 | Very high | 93.2 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 178.5 | -172.2 | -174.6 | -53.2 | 0 | 0 | 112.9 | D21 F22 V23 T28 K135 | D21-Q25 VanDerWaalsContact O-CB 3.31Å; D21-Q25 WeakPolarHBondContact O-CB 3.29Å; D21-Q25 PolarHBondContact O-N 3.19Å; D21-Q25 VanDerWaalsContact O-N 3.1Å; F22-Q25 PolarHBondContact O-N 2.83Å; V23-Q25 VanDerWaalsContact C-N 3.28Å; V23-Q25 PolarHBondContact O-N 3.13Å; Q25-T28 PolarHBondContact O-OG1 3.37Å; Q25-K135 VanDerWaalsContact OE1-NZ 3.16Å |
| 26 | H | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.9 | -20.7 | -179.2 | -72.9 | -66.9 | 0 | 0 | 0 | 113.6 | F22 V23 E24 T28 R29 K135 F162 | F22-H26 AromaticContact CD1-CD2 3.75Å; F22-H26 AromaticContact CE1-CD2 3.49Å; F22-H26 VanDerWaalsContact CE1-CD2 3.49Å; F22-H26 WeakPolarHBondContact CE1-CD2 3.22Å; F22-H26 AromaticContact CE1-NE2 3.78Å; F22-H26 AromaticContact CE2-CD2 3.99Å; F22-H26 AromaticContact CE2-NE2 3.56Å; F22-H26 AromaticContact CZ-CD2 3.63Å; F22-H26 AromaticContact CZ-NE2 3.39Å; F22-H26 WeakPolarHBondContact CZ-NE2 3.49Å; F22-H26 PolarHBondContact O-CD2 3.33Å; F22-H26 PolarHBondContact O-N 2.85Å; V23-H26 PolarHBondContact O-N 3.37Å; V23-H26 VanDerWaalsContact O-N 3.13Å; E24-H26 VanDerWaalsContact C-N 3.34Å; E24-H26 PolarHBondContact O-N 2.99Å; H26-T28 VanDerWaalsContact C-N 3.32Å; H26-R29 PolarHBondContact O-N 3.05Å; H26-K135 PolarHBondContact CE1-O 2.95Å; H26-K135 PolarHBondContact NE2-O 3.03Å; H26-F162 HydrophobicContact CB-CE1 4.22Å; H26-F162 HydrophobicContact CB-CZ 3.88Å |
| 27 | L | 92.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 170 | -76.3 | 171.5 | 0 | 0 | 0 | 111.9 | V23 E24 R29 H161 F162 | V23-L27 HydrophobicContact CG1-CD1 3.69Å; V23-L27 HydrophobicContact CG1-CG 4.2Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 2.96Å; E24-L27 PolarHBondContact O-N 2.81Å; L27-R29 PolarHBondContact O-N 3.1Å; L27-H161 HydrophobicContact CD1-CB 3.78Å; L27-H161 HydrophobicContact CD2-CB 3.71Å; L27-H161 HydrophobicContact CG-CB 4.39Å; L27-F162 HydrophobicContact CB-CZ 4.5Å; L27-F162 HydrophobicContact CD2-CD1 4.05Å; L27-F162 HydrophobicContact CD2-CD2 3.73Å; L27-F162 HydrophobicContact CD2-CE1 3.91Å; L27-F162 HydrophobicContact CD2-CE2 3.61Å; L27-F162 HydrophobicContact CD2-CG 3.96Å; L27-F162 HydrophobicContact CD2-CZ 3.69Å; L27-F162 HydrophobicContact CG-CD2 4.34Å; L27-F162 HydrophobicContact CG-CE1 4.32Å; L27-F162 HydrophobicContact CG-CE2 3.73Å; L27-F162 HydrophobicContact CG-CZ 3.7Å |
| 28 | T | 87.1 | Confident | 93.4 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 71% | 0.706 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | E24 Q25 H26 | E24-T28 WeakPolarHBondContact O-CG2 3.46Å; E24-T28 PolarHBondContact O-N 3.33Å; Q25-T28 PolarHBondContact O-OG1 3.37Å; H26-T28 VanDerWaalsContact C-N 3.32Å |
| 29 | R | 84.9 | Confident | 93.5 | Very high | 105 Ų | 105 | 44.9 Ų | 44.9 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -91.5 | 109.6 | 175.8 | -65.4 | -178 | 177.9 | -176.1 | 1 | 108.8 | H26 L27 S31 Q32 R165 | H26-R29 PolarHBondContact O-N 3.05Å; L27-R29 PolarHBondContact O-N 3.1Å; R29-S31 PolarHBondContact O-N 3.31Å; R29-Q32 HydrophobicContact CB-CB 4.13Å; R29-R165 PolarHBondContact O-NH2 3.35Å |
| 30 | D | 70.8 | Confident | 93.4 | Very high | 150 Ų | 150 | 44.9 Ų | 44.9 | 80% | 0.802 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.2 | 176.7 | -78.2 | -16.8 | 0 | 0 | 0 | 110.6 | Q32 | D30-Q32 PolarHBondContact O-N 3.31Š|
| 31 | S | 79.8 | Confident | 93.3 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 70% | 0.699 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -7.2 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 118.7 | R29 P33 | R29-S31 PolarHBondContact O-N 3.31Å; S31-P33 WeakPolarHBondContact O-CD 3.37Å |
| 32 | Q | 90.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | trans | -65.9 | 116.9 | -179.3 | 179 | 63 | 68.6 | 0 | 0 | 111.9 | R29 D30 R165 | R29-Q32 HydrophobicContact CB-CB 4.13Å; D30-Q32 PolarHBondContact O-N 3.31Å; Q32-R165 PolarHBondContact O-NE 3.45Å; Q32-R165 PolarHBondContact O-NH2 3.4Å | ||
| 33 | P | 96.4 | Very high | 93 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | trans | -74.4 | 154.6 | 173.7 | -16.7 | 34 | 0 | 0 | 0 | 111.4 | S31 Y72 A73 M368 | S31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-Y72 HydrophobicContact CB-CD1 3.83Å; P33-Y72 HydrophobicContact CB-CD2 3.68Å; P33-Y72 HydrophobicContact CB-CE1 3.65Å; P33-Y72 HydrophobicContact CB-CE2 3.5Å; P33-Y72 VanDerWaalsContact CB-CE2 3.5Å; P33-Y72 HydrophobicContact CB-CG 3.86Å; P33-Y72 VanDerWaalsContact CB-CZ 3.45Å; P33-Y72 HydrophobicContact CG-CD1 4.09Å; P33-Y72 HydrophobicContact CG-CE1 3.67Å; P33-Y72 HydrophobicContact CG-CE2 4.35Å; P33-A73 PolarHBondContact O-N 3.04Å; P33-A73 VanDerWaalsContact O-N 3.17Å; P33-M368 HydrophobicContact CB-SD 4.33Å; P33-M368 HydrophobicContact CG-CE 3.97Å; P33-M368 HydrophobicContact CG-SD 4.06Å | ||
| 34 | I | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.9 | -179.8 | -170.7 | 163.5 | 0 | 0 | 0 | 109.9 | F22 A73 I75 L159 F162 R165 A166 L167 | F22-I34 HydrophobicContact CD1-CD1 4.2Å; F22-I34 HydrophobicContact CE1-CD1 3.93Å; I34-A73 CarbonylContact C-O 3.55Å; I34-A73 WeakPolarHBondContact CA-O 3.23Å; I34-A73 HydrophobicContact CB-CB 4.36Å; I34-A73 HydrophobicContact CD1-CB 4.43Å; I34-A73 HydrophobicContact CG1-CB 4.07Å; I34-A73 WeakPolarHBondContact CG1-O 3.11Å; I34-I75 HydrophobicContact CD1-CD1 4.18Å; I34-I75 HydrophobicContact CD1-CG1 4.34Å; I34-L159 HydrophobicContact CD1-CD2 3.71Å; I34-L159 HydrophobicContact CG1-CD2 4.09Å; I34-L159 HydrophobicContact CG2-CD2 3.84Å; I34-F162 HydrophobicContact CB-CD1 4.32Å; I34-F162 HydrophobicContact CB-CE1 4.14Å; I34-F162 HydrophobicContact CB-CZ 4.27Å; I34-F162 HydrophobicContact CD1-CE2 4.01Å; I34-F162 HydrophobicContact CD1-CZ 3.94Å; I34-F162 HydrophobicContact CG2-CB 4.06Å; I34-F162 HydrophobicContact CG2-CD1 3.56Å; I34-F162 HydrophobicContact CG2-CD2 3.64Å; I34-F162 HydrophobicContact CG2-CE1 3.8Å; I34-F162 HydrophobicContact CG2-CE2 3.86Å; I34-F162 HydrophobicContact CG2-CG 3.48Å; I34-F162 VanDerWaalsContact CG2-CG 3.48Å; I34-F162 HydrophobicContact CG2-CZ 3.95Å; I34-R165 PolarHBondContact N-O 2.77Å; I34-R165 VanDerWaalsContact N-O 3.16Å; I34-A166 HydrophobicContact CG2-CB 4.45Å; I34-L167 PolarHBondContact O-N 3.34Å |
| 35 | V | 98.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.5 | 176.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | I37 T70 Y72 A73 V74 I75 L167 | V35-I37 HydrophobicContact CG1-CD1 4.15Å; V35-I37 HydrophobicContact CG1-CG1 4.1Å; V35-I37 HydrophobicContact CG2-CD1 4.41Å; V35-I37 HydrophobicContact CG2-CG1 3.69Å; V35-T70 HydrophobicContact CG1-CG2 4.2Å; V35-Y72 HydrophobicContact CB-CD2 4.1Å; V35-Y72 HydrophobicContact CG1-CD2 4.36Å; V35-A73 PolarHBondContact N-O 3.34Å; V35-V74 HydrophobicContact CG1-CB 4.28Å; V35-V74 HydrophobicContact CG1-CG1 4.31Å; V35-V74 HydrophobicContact CG1-CG2 3.81Å; V35-V74 WeakPolarHBondContact O-CA 3.48Å; V35-I75 PolarHBondContact O-N 3.38Å; V35-L167 CarbonylContact C-O 3.55Å; V35-L167 VanDerWaalsContact CA-O 3.23Å; V35-L167 WeakPolarHBondContact CA-O 3.39Å; V35-L167 HydrophobicContact CB-CB 4.05Å; V35-L167 HydrophobicContact CB-CD2 4.12Å; V35-L167 HydrophobicContact CB-CG 4.23Å; V35-L167 HydrophobicContact CG2-CB 3.96Å; V35-L167 HydrophobicContact CG2-CD2 3.74Å; V35-L167 HydrophobicContact CG2-CG 3.67Å |
| 36 | L | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113.8 | 160.3 | 170.9 | 57.8 | 0 | 0 | 0 | 108.5 | T38 I75 L77 L152 I155 L159 L167 L168 Y169 | L36-T38 HydrophobicContact CG-CG2 4.43Å; L36-I75 WeakPolarHBondContact CA-O 3.28Å; L36-I75 HydrophobicContact CD1-CB 4.23Å; L36-I75 HydrophobicContact CD1-CG2 4.05Å; L36-I75 WeakPolarHBondContact CD1-O 3.25Å; L36-L77 HydrophobicContact CD1-CB 3.86Å; L36-L152 HydrophobicContact CD2-CD1 3.62Å; L36-I155 HydrophobicContact CD1-CD1 4.39Å; L36-I155 HydrophobicContact CD1-CG2 4.04Å; L36-I155 HydrophobicContact CD2-CB 4.28Å; L36-I155 HydrophobicContact CD2-CG2 3.89Å; L36-I155 HydrophobicContact CG-CG2 4.41Å; L36-L159 HydrophobicContact CB-CD1 3.69Å; L36-L167 PolarHBondContact N-O 3.05Å; L36-L168 HydrophobicContact CB-CG 4.41Å; L36-L168 HydrophobicContact CD2-CG 4.46Å; L36-Y169 PolarHBondContact O-N 3.06Å |
| 37 | I | 98.8 | Very high | 92 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.5 | 173.3 | -62.1 | 179.2 | 0 | 0 | 0 | 108 | V35 A67 V74 I75 F76 L77 Y169 | V35-I37 HydrophobicContact CG1-CD1 4.15Å; V35-I37 HydrophobicContact CG1-CG1 4.1Å; V35-I37 HydrophobicContact CG2-CD1 4.41Å; V35-I37 HydrophobicContact CG2-CG1 3.69Å; I37-A67 HydrophobicContact CD1-CB 3.67Å; I37-V74 HydrophobicContact CD1-CG1 3.89Å; I37-V74 HydrophobicContact CG1-CG1 4.24Å; I37-I75 PolarHBondContact N-O 3.07Å; I37-F76 HydrophobicContact CB-CD2 3.86Å; I37-F76 HydrophobicContact CB-CE2 4.26Å; I37-F76 HydrophobicContact CG2-CD2 3.69Å; I37-F76 HydrophobicContact CG2-CE2 3.55Å; I37-L77 PolarHBondContact O-N 2.86Å; I37-Y169 WeakPolarHBondContact CA-O 3.27Å; I37-Y169 HydrophobicContact CG1-CD1 4.38Å; I37-Y169 HydrophobicContact CG2-CD1 3.97Å |
| 38 | T | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 140 | 168.1 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | L36 L77 Y148 L152 Y169 L170 A171 A172 | L36-T38 HydrophobicContact CG-CG2 4.43Å; T38-L77 CarbonylContact C-O 3.55Å; T38-L77 VanDerWaalsContact CA-O 3.27Å; T38-L77 WeakPolarHBondContact CA-O 3.26Å; T38-L77 HydrophobicContact CG2-CB 4.38Å; T38-L77 HydrophobicContact CG2-CD2 4.17Å; T38-Y148 HydrophobicContact CG2-CE2 3.86Å; T38-L152 HydrophobicContact CG2-CD1 4.19Å; T38-Y169 PolarHBondContact N-O 2.9Å; T38-L170 HydrophobicContact CG2-CD2 3.83Å; T38-L170 VanDerWaalsContact OG1-CA 3.28Å; T38-L170 WeakPolarHBondContact OG1-CA 3.29Å; T38-A171 CarbonylContact O-C 3.5Å; T38-A171 VanDerWaalsContact O-C 3.32Å; T38-A171 WeakPolarHBondContact O-CA 3.26Å; T38-A171 WeakPolarHBondContact O-CB 3.1Å; T38-A171 PolarHBondContact O-N 2.9Å; T38-A171 PolarHBondContact OG1-N 3.01Å; T38-A171 VanDerWaalsContact OG1-N 3.14Å; T38-A172 PolarHBondContact O-N 2.87Å; T38-A172 WeakPolarHBondContact OG1-CB 3.49Å; T38-A172 PolarHBondContact OG1-N 3.27Å |
| 39 | S | 98.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 149.5 | -175.5 | -155.5 | 0 | 0 | 0 | 0 | 114.1 | G60 G63 L77 Y78 R79 F142 | S39-G60 VanDerWaalsContact OG-CA 3.3Å; S39-G60 WeakPolarHBondContact OG-CA 3.43Å; S39-G60 PolarHBondContact OG-O 3.35Å; S39-G63 WeakPolarHBondContact OG-CA 3.26Å; S39-L77 PolarHBondContact N-O 2.83Å; S39-Y78 VanDerWaalsContact O-CA 3.3Å; S39-Y78 WeakPolarHBondContact O-CA 3.48Å; S39-R79 PolarHBondContact O-N 3.21Å; S39-F142 WeakPolarHBondContact O-CE1 3.39Å; S39-F142 WeakPolarHBondContact O-CZ 3.11Å |
| 40 | G | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 83.7 | 178.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 A172 A173 | G40-S58 WeakPolarHBondContact CA-O 3.47Å; G40-A172 CarbonylContact O-C 3.43Å; G40-A172 VanDerWaalsContact O-CA 3.3Å; G40-A172 WeakPolarHBondContact O-CA 3.45Å; G40-A172 WeakPolarHBondContact O-CB 3.42Å; G40-A173 PolarHBondContact O-N 3.14Å |
| 41 | G | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 143 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N56 S58 R79 | G41-N56 WeakPolarHBondContact CA-O 3.3Å; G41-S58 PolarHBondContact N-O 3.42Å; G41-R79 WeakPolarHBondContact O-CB 3.32Å; G41-R79 WeakPolarHBondContact O-CD 3.42Å; G41-R79 VanDerWaalsContact O-CG 3.3Å; G41-R79 WeakPolarHBondContact O-CG 3.48Å; G41-R79 PolarHBondContact O-NH1 2.85Å |
| 42 | T | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 145.1 | 168.4 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | N56 F142 V145 Y148 A173 V174 S175 | T42-N56 PolarHBondContact O-N 3.21Å; T42-F142 HydrophobicContact CG2-CD2 4.26Å; T42-F142 HydrophobicContact CG2-CE2 3.66Å; T42-F142 HydrophobicContact CG2-CZ 4.38Å; T42-V145 HydrophobicContact CG2-CB 4.45Å; T42-Y148 HydrophobicContact CG2-CD1 4.17Å; T42-Y148 HydrophobicContact CG2-CD2 4.29Å; T42-Y148 HydrophobicContact CG2-CG 3.8Å; T42-A173 PolarHBondContact N-O 2.84Å; T42-A173 PolarHBondContact OG1-O 3.24Å; T42-V174 HydrophobicContact CG2-CG1 4.42Å; T42-V174 WeakPolarHBondContact OG1-CA 3.49Å; T42-S175 PolarHBondContact O-OG 2.74Å; T42-S175 PolarHBondContact OG1-N 3.36Å; T42-S175 PolarHBondContact OG1-OG 2.86Å |
| 43 | M | 92.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 144.4 | 173.3 | -179.6 | -89.2 | -79.6 | 0 | 0 | 111.1 | P45 V50 F53 I54 T143 T144 V145 | M43-P45 HydrophobicContact SD-CB 4.02Å; M43-P45 HydrophobicContact SD-CG 4.36Å; M43-V50 HydrophobicContact CE-CG1 4.21Å; M43-F53 HydrophobicContact CG-CB 3.45Å; M43-F53 VanDerWaalsContact CG-CB 3.45Å; M43-F53 HydrophobicContact CG-CD1 4.47Å; M43-F53 HydrophobicContact CG-CD2 3.52Å; M43-F53 HydrophobicContact CG-CE2 4.38Å; M43-F53 HydrophobicContact CG-CG 3.57Å; M43-F53 HydrophobicContact SD-CB 3.47Å; M43-F53 WeakPolarHBondContact SD-CB 3.44Å; M43-F53 HydrophobicContact SD-CG 4.07Å; M43-I54 CarbonylContact C-O 3.52Å; M43-I54 WeakPolarHBondContact CA-O 3.43Å; M43-T143 WeakPolarHBondContact CB-O 3.42Å; M43-T143 HydrophobicContact CE-CG2 3.9Å; M43-T143 PolarHBondContact N-O 2.8Å; M43-T144 HydrophobicContact CE-CG2 3.83Å; M43-T144 CarbonylContact O-C 3.55Å; M43-T144 WeakPolarHBondContact O-CA 3.41Å; M43-T144 HydrophobicContact SD-CG2 4.27Å; M43-V145 PolarHBondContact O-N 3.17Å |
| 44 | V | 91.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.8 | 172.6 | 179 | 0 | 0 | 0 | 0 | 107.9 | F53 I54 V145 F177 | V44-F53 CarbonylContact O-C 3.32Å; V44-F53 WeakPolarHBondContact O-CA 3.24Å; V44-F53 WeakPolarHBondContact O-CB 3.47Å; V44-I54 HydrophobicContact CB-CB 4.26Å; V44-I54 PolarHBondContact N-O 3.17Å; V44-I54 PolarHBondContact O-N 2.96Å; V44-V145 HydrophobicContact CG2-CB 4.5Å; V44-V145 HydrophobicContact CG2-CG1 4Å; V44-F177 VanDerWaalsContact CG2-O 3.28Å; V44-F177 WeakPolarHBondContact CG2-O 3.46Å |
| 45 | P | 91.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 5% | 0.045 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.1 | 177.4 | 27.7 | -32 | 0 | 0 | 0 | 110.3 | M43 V50 T144 M184 | M43-P45 HydrophobicContact SD-CB 4.02Å; M43-P45 HydrophobicContact SD-CG 4.36Å; P45-V50 HydrophobicContact CB-CB 4.48Å; P45-V50 HydrophobicContact CB-CG1 4.12Å; P45-V50 HydrophobicContact CB-CG2 3.62Å; P45-T144 HydrophobicContact CG-CG2 4.43Å; P45-M184 HydrophobicContact CB-SD 4.24Å; P45-M184 HydrophobicContact CG-CE 3.81Å; P45-M184 HydrophobicContact CG-SD 3.95Å |
| 46 | L | 90.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -88.3 | -20 | 174.6 | -59.1 | -174.3 | 0 | 0 | 0 | 112.5 | R52 I54 I179 P185 M189 L198 | L46-R52 HydrophobicContact CB-CB 4.35Å; L46-R52 HydrophobicContact CD1-CB 3.87Å; L46-R52 HydrophobicContact CG-CB 4.35Å; L46-R52 PolarHBondContact N-O 2.64Å; L46-I54 HydrophobicContact CD2-CD1 3.89Å; L46-I54 HydrophobicContact CD2-CG1 4.03Å; L46-I179 HydrophobicContact CD2-CD1 3.66Å; L46-P185 WeakPolarHBondContact O-CD 3.33Å; L46-P185 WeakPolarHBondContact O-CG 3.18Å; L46-M189 HydrophobicContact CB-CE 3.7Å; L46-M189 HydrophobicContact CD1-CE 3.84Å; L46-M189 HydrophobicContact CG-CE 4.38Å; L46-L198 HydrophobicContact CD1-CD1 4.02Å; L46-L198 HydrophobicContact CD1-CD2 4.5Å; L46-L198 HydrophobicContact CD2-CD1 4.37Å |
| 47 | E | 88.5 | Confident | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -141.7 | 153 | 179.7 | -49.6 | 101.4 | 159.9 | 0 | 0 | 110 | N49 V50 R52 P185 M189 | E47-N49 PolarHBondContact O-N 3.15Å; E47-V50 WeakPolarHBondContact O-CG2 3.3Å; E47-V50 PolarHBondContact O-N 2.97Å; E47-R52 IonicContact OE1-CZ 2.98Å; E47-R52 IonicContact OE1-NH1 2.83Å; E47-R52 PolarHBondContact OE1-NH1 2.85Å; E47-R52 PolarHBondContact OE2-N 3.24Å; E47-R52 VanDerWaalsContact OE2-N 3.12Å; E47-P185 CarbonylContact C-O 3.44Å; E47-P185 VanDerWaalsContact CA-O 3.26Å; E47-P185 WeakPolarHBondContact CA-O 3.4Å; E47-P185 HydrophobicContact CB-CG 4.45Å; E47-P185 HydrophobicContact CG-CG 4.07Å; E47-M189 HydrophobicContact CG-CG 4.4Å; E47-M189 WeakPolarHBondContact OE1-CE 3.39Å; E47-M189 PolarHBondContact OE1-N 3.06Å; E47-M189 VanDerWaalsContact OE1-N 3.15Å |
| 48 | R | 87.6 | Confident | 91.1 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -63 | -43.6 | 179.2 | -62.7 | -171.6 | -171 | -91 | 6.7 | 112.3 | V50 D181 M184 P185 | R48-V50 VanDerWaalsContact C-N 3.29Å; R48-V50 PolarHBondContact O-N 2.71Å; R48-V50 VanDerWaalsContact O-N 3.15Å; R48-D181 PolarHBondContact NH1-O 3.34Å; R48-D181 PolarHBondContact NH2-O 2.95Å; R48-M184 HydrophobicContact CG-CB 4.31Å; R48-M184 HydrophobicContact CG-CG 4.16Å; R48-M184 HydrophobicContact CG-SD 4.2Å; R48-P185 PolarHBondContact N-O 3.2Å |
| 49 | N | 89.7 | Confident | 90.7 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 49% | 0.492 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.6 | 82.8 | 168 | -65.7 | -50.2 | 0 | 0 | 0 | 107.6 | E47 V51 V186 | E47-N49 PolarHBondContact O-N 3.15Å; N49-V51 PolarHBondContact O-N 2.8Å; N49-V186 WeakPolarHBondContact CB-O 3.41Å; N49-V186 PolarHBondContact N-O 2.99Å; N49-V186 PolarHBondContact ND2-O 3.39Å |
| 50 | V | 88.4 | Confident | 90.5 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 44% | 0.436 | 24% | 0.242 | S | C | . | . | trans | -57.4 | 112.7 | -167 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | M43 P45 E47 R48 F53 | M43-V50 HydrophobicContact CE-CG1 4.21Å; P45-V50 HydrophobicContact CB-CB 4.48Å; P45-V50 HydrophobicContact CB-CG1 4.12Å; P45-V50 HydrophobicContact CB-CG2 3.62Å; E47-V50 WeakPolarHBondContact O-CG2 3.3Å; E47-V50 PolarHBondContact O-N 2.97Å; R48-V50 VanDerWaalsContact C-N 3.29Å; R48-V50 PolarHBondContact O-N 2.71Å; R48-V50 VanDerWaalsContact O-N 3.15Å; V50-F53 HydrophobicContact CG1-CD1 4.3Å | ||
| 51 | V | 88.6 | Confident | 90.4 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -115 | -38.2 | 167.7 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | N49 K188 | N49-V51 PolarHBondContact O-N 2.8Å; V51-K188 HydrophobicContact CB-CG 4.5Å; V51-K188 HydrophobicContact CG1-CD 4.26Å; V51-K188 HydrophobicContact CG1-CG 4.45Å; V51-K188 HydrophobicContact CG2-CB 4.46Å |
| 52 | R | 89.8 | Confident | 90.5 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 28% | 0.279 | 26% | 0.262 | S | S | . | . | trans | -121.5 | 151.4 | 178.8 | -53.8 | -178.1 | -171 | 104.7 | -13.9 | 110.3 | L46 E47 K188 M189 | L46-R52 HydrophobicContact CB-CB 4.35Å; L46-R52 HydrophobicContact CD1-CB 3.87Å; L46-R52 HydrophobicContact CG-CB 4.35Å; L46-R52 PolarHBondContact N-O 2.64Å; E47-R52 IonicContact OE1-CZ 2.98Å; E47-R52 IonicContact OE1-NH1 2.83Å; E47-R52 PolarHBondContact OE1-NH1 2.85Å; E47-R52 PolarHBondContact OE2-N 3.24Å; E47-R52 VanDerWaalsContact OE2-N 3.12Å; R52-K188 VanDerWaalsContact NH1-CG 3.27Å; R52-M189 VanDerWaalsContact NH1-N 3.18Å; R52-M189 PolarHBondContact NH1-O 2.78Å; R52-M189 PolarHBondContact NH2-O 3.4Å | ||
| 53 | F | 91.2 | Very high | 90.6 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 45% | 0.447 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 159.2 | -178.7 | 55.6 | -93.7 | 0 | 0 | 0 | 111.7 | M43 V44 V50 E55 | M43-F53 HydrophobicContact CG-CB 3.45Å; M43-F53 VanDerWaalsContact CG-CB 3.45Å; M43-F53 HydrophobicContact CG-CD1 4.47Å; M43-F53 HydrophobicContact CG-CD2 3.52Å; M43-F53 HydrophobicContact CG-CE2 4.38Å; M43-F53 HydrophobicContact CG-CG 3.57Å; M43-F53 HydrophobicContact SD-CB 3.47Å; M43-F53 WeakPolarHBondContact SD-CB 3.44Å; M43-F53 HydrophobicContact SD-CG 4.07Å; V44-F53 CarbonylContact O-C 3.32Å; V44-F53 WeakPolarHBondContact O-CA 3.24Å; V44-F53 WeakPolarHBondContact O-CB 3.47Å; V50-F53 HydrophobicContact CG1-CD1 4.3Å; F53-E55 HydrophobicContact CD2-CB 4.11Å; F53-E55 HydrophobicContact CE2-CB 4.18Å; F53-E55 WeakPolarHBondContact CE2-OE2 3.33Å |
| 54 | I | 89.9 | Confident | 90.8 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138 | 167.5 | -59.8 | 164.4 | 0 | 0 | 0 | 107.5 | M43 V44 L46 L200 | M43-I54 CarbonylContact C-O 3.52Å; M43-I54 WeakPolarHBondContact CA-O 3.43Å; V44-I54 HydrophobicContact CB-CB 4.26Å; V44-I54 PolarHBondContact N-O 3.17Å; V44-I54 PolarHBondContact O-N 2.96Å; L46-I54 HydrophobicContact CD2-CD1 3.89Å; L46-I54 HydrophobicContact CD2-CG1 4.03Å; I54-L200 HydrophobicContact CD1-CD1 3.64Å; I54-L200 HydrophobicContact CD1-CD2 4.04Å; I54-L200 HydrophobicContact CD1-CG 4.5Å |
| 55 | E | 88.7 | Confident | 91.1 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.6 | -178.7 | 178.7 | 158.2 | -172 | 0 | 0 | 111.4 | F53 F57 R79 | F53-E55 HydrophobicContact CD2-CB 4.11Å; F53-E55 HydrophobicContact CE2-CB 4.18Å; F53-E55 WeakPolarHBondContact CE2-OE2 3.33Å; E55-F57 PolarHBondContact O-N 2.73Å; E55-R79 VanDerWaalsContact CD-NH1 3.27Å; E55-R79 IonicContact OE1-CZ 3.51Å; E55-R79 VanDerWaalsContact OE1-CZ 3.27Å; E55-R79 IonicContact OE1-NH1 3.36Å; E55-R79 PolarHBondContact OE1-NH1 3.28Å; E55-R79 IonicContact OE1-NH2 3.75Å; E55-R79 PolarHBondContact OE1-NH2 3.41Å; E55-R79 IonicContact OE2-CZ 2.69Å; E55-R79 IonicContact OE2-NH1 3.94Å; E55-R79 IonicContact OE2-NH2 3.37Å; E55-R79 PolarHBondContact OE2-NH2 2.75Å; E55-R79 VanDerWaalsContact OE2-NH2 3.08Å |
| 56 | N | 87.7 | Confident | 91.4 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | trans | -82.9 | 110.1 | 165.2 | -76.7 | 56.2 | 0 | 0 | 0 | 107.9 | G41 T42 S58 A173 V174 S175 | G41-N56 WeakPolarHBondContact CA-O 3.3Å; T42-N56 PolarHBondContact O-N 3.21Å; N56-S58 PolarHBondContact O-N 3.27Å; N56-A173 HydrophobicContact CB-CB 4.07Å; N56-A173 WeakPolarHBondContact CB-O 3.47Å; N56-V174 PolarHBondContact ND2-O 3.47Å; N56-S175 WeakPolarHBondContact OD1-CA 3.4Å; N56-S175 WeakPolarHBondContact OD1-CB 3.49Å; N56-S175 PolarHBondContact OD1-OG 3.29Å | ||
| 57 | F | 84.4 | Confident | 91.8 | Very high | 172 Ų | 172 | 50.8 Ų | 50.8 | 75% | 0.754 | 25% | 0.254 | S | S | * | . | trans | -67.2 | 128.1 | -174.7 | -179.7 | -97.7 | 0 | 0 | 0 | 112.3 | E55 | E55-F57 PolarHBondContact O-N 2.73Š| ||
| 58 | S | 90.6 | Very high | 92.1 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | trans | -157.7 | 120.4 | 164.1 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | G40 G41 N56 G60 | G40-S58 WeakPolarHBondContact CA-O 3.47Å; G41-S58 PolarHBondContact N-O 3.42Å; N56-S58 PolarHBondContact O-N 3.27Å; S58-G60 PolarHBondContact O-N 2.99Å; S58-G60 PolarHBondContact OG-N 3.13Å | ||
| 59 | A | 91.1 | Very high | 92.5 | Very high | 35 Ų | 35 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | -65.9 | -15.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F83 | A59-F83 HydrophobicContact CB-CD2 3.9Å; A59-F83 HydrophobicContact CB-CE2 3.78Å; A59-F83 WeakPolarHBondContact O-CB 3.4Å; A59-F83 WeakPolarHBondContact O-CD2 3.34Å; A59-F83 WeakPolarHBondContact O-CG 3.45Å; A59-F83 PolarHBondContact O-N 3.41Å | ||
| 60 | G | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | 84 | 10.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S39 S58 R62 S64 | S39-G60 VanDerWaalsContact OG-CA 3.3Å; S39-G60 WeakPolarHBondContact OG-CA 3.43Å; S39-G60 PolarHBondContact OG-O 3.35Å; S58-G60 PolarHBondContact O-N 2.99Å; S58-G60 PolarHBondContact OG-N 3.13Å; G60-R62 PolarHBondContact O-N 3.31Å; G60-S64 WeakPolarHBondContact O-CB 3.38Å; G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 2.87Å | ||
| 61 | T | 93.8 | Very high | 93 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.4 | -52.2 | -176.7 | -50.6 | 0 | 0 | 0 | 0 | 112.8 | S64 A65 F83 | T61-S64 PolarHBondContact O-N 3.3Å; T61-S64 PolarHBondContact O-OG 3.14Å; T61-S64 VanDerWaalsContact O-OG 3.09Å; T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.91Å; T61-F83 WeakPolarHBondContact OG1-CD2 3.4Å |
| 62 | R | 95.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -52 | -176.5 | -172.5 | -178.8 | -57.5 | -76.2 | 21 | 111.7 | G60 S64 A65 S66 N319 R324 E353 I356 | G60-R62 PolarHBondContact O-N 3.31Å; R62-S64 PolarHBondContact O-N 2.83Å; R62-A65 PolarHBondContact O-N 3.25Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 3.04Å; R62-S66 PolarHBondContact O-OG 2.9Å; R62-N319 PolarHBondContact NH2-OD1 3.12Å; R62-R324 PolarHBondContact NH1-O 2.85Å; R62-R324 PolarHBondContact NH2-O 3.18Å; R62-E353 HydrophobicContact CG-CG 4.1Å; R62-E353 WeakPolarHBondContact CG-OE1 3.14Å; R62-E353 IonicContact CZ-OE1 3.65Å; R62-E353 IonicContact NH1-OE1 2.73Å; R62-E353 PolarHBondContact NH1-OE1 3.41Å; R62-I356 VanDerWaalsContact NH1-CD1 3.28Å |
| 63 | G | 97.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S39 A65 S66 A67 F76 | S39-G63 WeakPolarHBondContact OG-CA 3.26Å; G63-A65 PolarHBondContact O-N 3.44Å; G63-S66 PolarHBondContact O-N 2.99Å; G63-A67 WeakPolarHBondContact O-CB 3.29Å; G63-A67 PolarHBondContact O-N 3.43Å; G63-F76 VanDerWaalsContact C-CE2 3.45Å; G63-F76 WeakPolarHBondContact O-CE2 3.48Å |
| 64 | S | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | -179.8 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | G60 T61 R62 E68 F83 R88 | G60-S64 WeakPolarHBondContact O-CB 3.38Å; G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 2.87Å; T61-S64 PolarHBondContact O-N 3.3Å; T61-S64 PolarHBondContact O-OG 3.14Å; T61-S64 VanDerWaalsContact O-OG 3.09Å; R62-S64 PolarHBondContact O-N 2.83Å; S64-E68 WeakPolarHBondContact O-CG 3.49Å; S64-E68 PolarHBondContact O-N 3.02Å; S64-F83 WeakPolarHBondContact OG-CB 3.48Å; S64-R88 WeakPolarHBondContact OG-CD 3.46Å |
| 65 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | T61 R62 G63 A67 E68 L69 R88 E353 | T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.91Å; R62-A65 PolarHBondContact O-N 3.25Å; G63-A65 PolarHBondContact O-N 3.44Å; A65-A67 VanDerWaalsContact C-N 3.25Å; A65-A67 PolarHBondContact O-N 3.49Å; A65-E68 WeakPolarHBondContact O-CB 3.46Å; A65-E68 PolarHBondContact O-N 3.22Å; A65-L69 PolarHBondContact O-N 3.36Å; A65-R88 VanDerWaalsContact CB-NH2 3.27Å; A65-E353 HydrophobicContact CB-CB 3.92Å; A65-E353 HydrophobicContact CB-CG 3.75Å |
| 66 | S | 97.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -35.9 | 178.6 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | R62 G63 E68 L69 T70 Y169 | R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 3.04Å; R62-S66 PolarHBondContact O-OG 2.9Å; G63-S66 PolarHBondContact O-N 2.99Å; S66-E68 VanDerWaalsContact C-N 3.33Å; S66-E68 PolarHBondContact O-N 3.21Å; S66-L69 PolarHBondContact O-N 3.07Å; S66-T70 PolarHBondContact O-N 3.01Å; S66-Y169 PolarHBondContact OG-OH 3.42Å |
| 67 | A | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -29.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I37 G63 A65 L69 V74 F76 P85 | I37-A67 HydrophobicContact CD1-CB 3.67Å; G63-A67 WeakPolarHBondContact O-CB 3.29Å; G63-A67 PolarHBondContact O-N 3.43Å; A65-A67 VanDerWaalsContact C-N 3.25Å; A65-A67 PolarHBondContact O-N 3.49Å; A67-L69 VanDerWaalsContact C-N 3.33Å; A67-V74 HydrophobicContact CB-CG1 4.14Å; A67-F76 HydrophobicContact CB-CD2 3.88Å; A67-F76 HydrophobicContact CB-CE2 4.05Å; A67-P85 HydrophobicContact CB-CB 4.03Å; A67-P85 HydrophobicContact CB-CG 3.48Å; A67-P85 VanDerWaalsContact CB-CG 3.48Å |
| 68 | E | 96.5 | Very high | 96.3 | Very high | 19 Ų | 19 | 18.3 Ų | 18.3 | 9% | 0.089 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -35.3 | 175.8 | -67.3 | 163.9 | -171.2 | 0 | 0 | 111.8 | S64 A65 S66 P85 Y86 R88 R89 | S64-E68 WeakPolarHBondContact O-CG 3.49Å; S64-E68 PolarHBondContact O-N 3.02Å; A65-E68 WeakPolarHBondContact O-CB 3.46Å; A65-E68 PolarHBondContact O-N 3.22Å; S66-E68 VanDerWaalsContact C-N 3.33Å; S66-E68 PolarHBondContact O-N 3.21Å; E68-P85 HydrophobicContact CG-CB 3.98Å; E68-Y86 HydrophobicContact CB-CD1 4.46Å; E68-Y86 HydrophobicContact CB-CE1 4.02Å; E68-Y86 HydrophobicContact CG-CD1 3.84Å; E68-Y86 HydrophobicContact CG-CE1 3.84Å; E68-Y86 HydrophobicContact CG-CG 4.25Å; E68-Y86 WeakPolarHBondContact OE1-CA 3.22Å; E68-Y86 PolarHBondContact OE1-N 2.94Å; E68-R88 VanDerWaalsContact CD-NE 3.29Å; E68-R88 VanDerWaalsContact OE1-CD 3.29Å; E68-R88 WeakPolarHBondContact OE1-CD 3.09Å; E68-R88 WeakPolarHBondContact OE1-CG 3.43Å; E68-R88 IonicContact OE1-CZ 3.15Å; E68-R88 IonicContact OE1-NE 3.58Å; E68-R88 PolarHBondContact OE1-NE 3.24Å; E68-R88 IonicContact OE1-NH2 3.07Å; E68-R88 IonicContact OE2-CZ 3.79Å; E68-R88 IonicContact OE2-NE 3.91Å; E68-R88 PolarHBondContact OE2-NE 3.41Å; E68-R88 IonicContact OE2-NH2 2.75Å; E68-R88 PolarHBondContact OE2-NH2 2.77Å; E68-R89 IonicContact OE2-CZ 3.81Å; E68-R89 IonicContact OE2-NE 2.64Å; E68-R89 PolarHBondContact OE2-NE 3.1Å; E68-R89 IonicContact OE2-NH2 3.36Å; E68-R89 PolarHBondContact OE2-NH2 2.94Å; E68-R89 VanDerWaalsContact OE2-NH2 3.07Å |
| 69 | L | 95.5 | Very high | 96.6 | Very high | 67 Ų | 67 | 18.1 Ų | 18.1 | 35% | 0.351 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -92.1 | -27.4 | -166.4 | -68.4 | 162.8 | 0 | 0 | 0 | 113.7 | A65 S66 A67 E353 H354 V357 | A65-L69 PolarHBondContact O-N 3.36Å; S66-L69 PolarHBondContact O-N 3.07Å; A67-L69 VanDerWaalsContact C-N 3.33Å; L69-E353 VanDerWaalsContact CD1-C 3.44Å; L69-E353 HydrophobicContact CD1-CB 3.72Å; L69-H354 HydrophobicContact CD1-CB 4.48Å; L69-V357 HydrophobicContact CB-CB 4.14Å; L69-V357 HydrophobicContact CB-CG1 4.09Å; L69-V357 HydrophobicContact CB-CG2 4.08Å; L69-V357 HydrophobicContact CD1-CG2 4.47Å |
| 70 | T | 95.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | trans | -70.8 | 144.5 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | V35 S66 Y72 V74 R136 | V35-T70 HydrophobicContact CG1-CG2 4.2Å; S66-T70 PolarHBondContact O-N 3.01Å; T70-Y72 VanDerWaalsContact C-N 3.29Å; T70-Y72 PolarHBondContact OG1-N 3.44Å; T70-V74 HydrophobicContact CG2-CG2 3.53Å; T70-R136 PolarHBondContact O-NH1 3.33Å | ||
| 71 | E | 94 | Very high | 96.8 | Very high | 106 Ų | 106 | 29.6 Ų | 29.6 | 50% | 0.495 | 14% | 0.141 | S | C | . | . | trans | -81.8 | -5.9 | 173.3 | 72.7 | -168 | 138.4 | 0 | 0 | 113.3 | V361 R365 | E71-V361 WeakPolarHBondContact OE1-CG1 3.37Å; E71-R365 IonicContact OE1-CZ 3.92Å; E71-R365 IonicContact OE1-NE 3.17Å; E71-R365 IonicContact OE1-NH2 3.02Å; E71-R365 PolarHBondContact OE1-NH2 3Å; E71-R365 IonicContact OE2-NH2 3.94Å | ||
| 72 | Y | 97 | Very high | 96.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -76.4 | 168.5 | -172.4 | -70.2 | 8.2 | 0 | 0 | 0 | 113.2 | P33 V35 T70 R136 L167 V361 H364 | P33-Y72 HydrophobicContact CB-CD1 3.83Å; P33-Y72 HydrophobicContact CB-CD2 3.68Å; P33-Y72 HydrophobicContact CB-CE1 3.65Å; P33-Y72 HydrophobicContact CB-CE2 3.5Å; P33-Y72 VanDerWaalsContact CB-CE2 3.5Å; P33-Y72 HydrophobicContact CB-CG 3.86Å; P33-Y72 VanDerWaalsContact CB-CZ 3.45Å; P33-Y72 HydrophobicContact CG-CD1 4.09Å; P33-Y72 HydrophobicContact CG-CE1 3.67Å; P33-Y72 HydrophobicContact CG-CE2 4.35Å; V35-Y72 HydrophobicContact CB-CD2 4.1Å; V35-Y72 HydrophobicContact CG1-CD2 4.36Å; T70-Y72 VanDerWaalsContact C-N 3.29Å; T70-Y72 PolarHBondContact OG1-N 3.44Å; Y72-R136 VanDerWaalsContact O-CG 3.27Å; Y72-R136 WeakPolarHBondContact O-CG 3.45Å; Y72-R136 PolarHBondContact O-NH1 3.16Å; Y72-L167 HydrophobicContact CD2-CD2 4.29Å; Y72-L167 HydrophobicContact CE2-CB 4.35Å; Y72-L167 HydrophobicContact CE2-CD2 3.95Å; Y72-V361 HydrophobicContact CE1-CG1 4.4Å; Y72-V361 HydrophobicContact CE1-CG2 4.46Å; Y72-H364 AromaticContact CE2-CE1 3.68Å; Y72-H364 AromaticContact CE2-ND1 3.11Å; Y72-H364 WeakPolarHBondContact CE2-ND1 3.42Å; Y72-H364 AromaticContact CZ-ND1 3.38Å; Y72-H364 PolarHBondContact OH-ND1 3.32Å |
| 73 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109 | F22 P33 I34 V35 R136 | F22-A73 HydrophobicContact CE1-CB 4.2Å; F22-A73 HydrophobicContact CZ-CB 4.17Å; P33-A73 PolarHBondContact O-N 3.04Å; P33-A73 VanDerWaalsContact O-N 3.17Å; I34-A73 CarbonylContact C-O 3.55Å; I34-A73 WeakPolarHBondContact CA-O 3.23Å; I34-A73 HydrophobicContact CB-CB 4.36Å; I34-A73 HydrophobicContact CD1-CB 4.43Å; I34-A73 HydrophobicContact CG1-CB 4.07Å; I34-A73 WeakPolarHBondContact CG1-O 3.11Å; V35-A73 PolarHBondContact N-O 3.34Å; A73-R136 CarbonylContact C-O 3.52Å |
| 74 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.8 | -171.9 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | V35 I37 A67 T70 F76 R136 L137 L138 | V35-V74 HydrophobicContact CG1-CB 4.28Å; V35-V74 HydrophobicContact CG1-CG1 4.31Å; V35-V74 HydrophobicContact CG1-CG2 3.81Å; V35-V74 WeakPolarHBondContact O-CA 3.48Å; I37-V74 HydrophobicContact CD1-CG1 3.89Å; I37-V74 HydrophobicContact CG1-CG1 4.24Å; A67-V74 HydrophobicContact CB-CG1 4.14Å; T70-V74 HydrophobicContact CG2-CG2 3.53Å; V74-F76 HydrophobicContact CG1-CB 4.23Å; V74-R136 PolarHBondContact N-O 3.02Å; V74-L137 HydrophobicContact CB-CD1 3.92Å; V74-L137 HydrophobicContact CG1-CD1 3.9Å; V74-L137 WeakPolarHBondContact O-CA 3.42Å; V74-L138 PolarHBondContact O-N 3.06Å |
| 75 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.9 | 157.7 | -55.6 | 178.8 | 0 | 0 | 0 | 106.8 | F22 V23 I34 V35 L36 I37 L138 I140 I155 L159 | F22-I75 HydrophobicContact CD1-CD1 4.1Å; F22-I75 HydrophobicContact CD1-CG1 3.75Å; F22-I75 HydrophobicContact CE1-CD1 4.44Å; F22-I75 HydrophobicContact CE1-CG1 3.68Å; V23-I75 HydrophobicContact CG2-CD1 4.22Å; I34-I75 HydrophobicContact CD1-CD1 4.18Å; I34-I75 HydrophobicContact CD1-CG1 4.34Å; V35-I75 PolarHBondContact O-N 3.38Å; L36-I75 WeakPolarHBondContact CA-O 3.28Å; L36-I75 HydrophobicContact CD1-CB 4.23Å; L36-I75 HydrophobicContact CD1-CG2 4.05Å; L36-I75 WeakPolarHBondContact CD1-O 3.25Å; I37-I75 PolarHBondContact N-O 3.07Å; I75-L138 HydrophobicContact CG1-CD2 4.34Å; I75-L138 HydrophobicContact CG2-CD2 4.3Å; I75-I140 HydrophobicContact CG2-CG1 4.29Å; I75-I155 HydrophobicContact CD1-CG2 3.79Å; I75-I155 HydrophobicContact CG2-CD1 4.08Å; I75-I155 HydrophobicContact CG2-CG2 4.1Å; I75-L159 HydrophobicContact CD1-CD2 4.14Å |
| 76 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 97.8 | -178.7 | -165.2 | -109 | 0 | 0 | 0 | 109.3 | I37 G63 A67 V74 Y78 P85 L137 L138 L139 I140 | I37-F76 HydrophobicContact CB-CD2 3.86Å; I37-F76 HydrophobicContact CB-CE2 4.26Å; I37-F76 HydrophobicContact CG2-CD2 3.69Å; I37-F76 HydrophobicContact CG2-CE2 3.55Å; G63-F76 VanDerWaalsContact C-CE2 3.45Å; G63-F76 WeakPolarHBondContact O-CE2 3.48Å; A67-F76 HydrophobicContact CB-CD2 3.88Å; A67-F76 HydrophobicContact CB-CE2 4.05Å; V74-F76 HydrophobicContact CG1-CB 4.23Å; F76-Y78 AromaticContact CD1-CD1 3.8Å; F76-Y78 HydrophobicContact CD1-CD1 3.8Å; F76-Y78 AromaticContact CD1-CG 3.75Å; F76-Y78 HydrophobicContact CD1-CG 3.75Å; F76-Y78 HydrophobicContact CE1-CD1 4.25Å; F76-Y78 HydrophobicContact CE1-CD2 4.32Å; F76-Y78 AromaticContact CE1-CG 3.72Å; F76-Y78 HydrophobicContact CE1-CG 3.72Å; F76-P85 HydrophobicContact CD1-CG 4.13Å; F76-P85 HydrophobicContact CD2-CG 4.12Å; F76-P85 HydrophobicContact CE1-CG 4.21Å; F76-P85 HydrophobicContact CE2-CG 4.23Å; F76-P85 HydrophobicContact CG-CG 4.09Å; F76-P85 HydrophobicContact CZ-CG 4.28Å; F76-L137 HydrophobicContact CB-CD1 4.04Å; F76-L138 PolarHBondContact N-O 3.47Å; F76-L139 HydrophobicContact CB-CD2 3.93Å; F76-L139 HydrophobicContact CD1-CD2 3.95Å; F76-L139 HydrophobicContact CG-CD2 4.31Å; F76-I140 PolarHBondContact O-N 3.37Å |
| 77 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 107.4 | 175.8 | 177.1 | 62.7 | 0 | 0 | 0 | 108.6 | L36 I37 T38 S39 I140 F142 Y148 K151 L152 I155 | L36-L77 HydrophobicContact CD1-CB 3.86Å; I37-L77 PolarHBondContact O-N 2.86Å; T38-L77 CarbonylContact C-O 3.55Å; T38-L77 VanDerWaalsContact CA-O 3.27Å; T38-L77 WeakPolarHBondContact CA-O 3.26Å; T38-L77 HydrophobicContact CG2-CB 4.38Å; T38-L77 HydrophobicContact CG2-CD2 4.17Å; S39-L77 PolarHBondContact N-O 2.83Å; L77-I140 CarbonylContact C-O 3.59Å; L77-I140 VanDerWaalsContact CA-O 3.32Å; L77-I140 WeakPolarHBondContact CA-O 3.4Å; L77-I140 HydrophobicContact CD1-CB 4.2Å; L77-I140 HydrophobicContact CD1-CG2 3.82Å; L77-F142 HydrophobicContact CD1-CB 4.42Å; L77-F142 HydrophobicContact CD1-CD1 3.77Å; L77-F142 HydrophobicContact CG-CD1 3.76Å; L77-F142 HydrophobicContact CG-CE1 4.17Å; L77-Y148 HydrophobicContact CD2-CD2 4.21Å; L77-Y148 HydrophobicContact CD2-CE2 4.32Å; L77-K151 HydrophobicContact CD1-CB 3.84Å; L77-K151 HydrophobicContact CD1-CD 4.24Å; L77-K151 HydrophobicContact CD2-CB 4.25Å; L77-L152 HydrophobicContact CD2-CB 4.13Å; L77-I155 HydrophobicContact CB-CD1 4.47Å; L77-I155 HydrophobicContact CD1-CD1 4.39Å; L77-I155 HydrophobicContact CD2-CD1 4.36Å |
| 78 | Y | 98.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.5 | -165.6 | 78.6 | -73 | 0 | 0 | 0 | 114.3 | S39 F76 R80 V84 L139 I140 E141 F142 | S39-Y78 VanDerWaalsContact O-CA 3.3Å; S39-Y78 WeakPolarHBondContact O-CA 3.48Å; F76-Y78 AromaticContact CD1-CD1 3.8Å; F76-Y78 HydrophobicContact CD1-CD1 3.8Å; F76-Y78 AromaticContact CD1-CG 3.75Å; F76-Y78 HydrophobicContact CD1-CG 3.75Å; F76-Y78 HydrophobicContact CE1-CD1 4.25Å; F76-Y78 HydrophobicContact CE1-CD2 4.32Å; F76-Y78 AromaticContact CE1-CG 3.72Å; F76-Y78 HydrophobicContact CE1-CG 3.72Å; Y78-R80 PolarHBondContact O-N 3.05Å; Y78-V84 HydrophobicContact CD2-CG1 3.55Å; Y78-V84 HydrophobicContact CE1-CG1 4.4Å; Y78-V84 HydrophobicContact CE2-CG1 3.18Å; Y78-V84 HydrophobicContact CG-CG1 4.28Å; Y78-L139 HydrophobicContact CE1-CB 3.94Å; Y78-I140 VanDerWaalsContact CD1-O 3.24Å; Y78-I140 WeakPolarHBondContact CD1-O 3.48Å; Y78-I140 PolarHBondContact N-O 2.91Å; Y78-E141 HydrophobicContact CD1-CG 4.41Å; Y78-E141 HydrophobicContact CE1-CB 4.46Å; Y78-E141 HydrophobicContact CE1-CG 3.53Å; Y78-E141 HydrophobicContact CE2-CG 4.21Å; Y78-E141 VanDerWaalsContact CZ-CG 3.43Å; Y78-E141 CarbonylContact O-C 3.6Å; Y78-E141 WeakPolarHBondContact O-CA 3.36Å; Y78-E141 WeakPolarHBondContact OH-CG 3.43Å; Y78-E141 PolarHBondContact OH-OE1 2.92Å; Y78-F142 VanDerWaalsContact CA-CE1 3.48Å; Y78-F142 VanDerWaalsContact O-CD1 3.29Å; Y78-F142 WeakPolarHBondContact O-CD1 3.44Å; Y78-F142 PolarHBondContact O-N 2.87Å |
| 79 | R | 97.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 126 | 174.1 | 171.8 | 55.6 | 179.4 | -76.2 | -7.3 | 109.7 | S39 G41 E55 N81 S82 F142 | S39-R79 PolarHBondContact O-N 3.21Å; G41-R79 WeakPolarHBondContact O-CB 3.32Å; G41-R79 WeakPolarHBondContact O-CD 3.42Å; G41-R79 VanDerWaalsContact O-CG 3.3Å; G41-R79 WeakPolarHBondContact O-CG 3.48Å; G41-R79 PolarHBondContact O-NH1 2.85Å; E55-R79 VanDerWaalsContact CD-NH1 3.27Å; E55-R79 IonicContact OE1-CZ 3.51Å; E55-R79 VanDerWaalsContact OE1-CZ 3.27Å; E55-R79 IonicContact OE1-NH1 3.36Å; E55-R79 PolarHBondContact OE1-NH1 3.28Å; E55-R79 IonicContact OE1-NH2 3.75Å; E55-R79 PolarHBondContact OE1-NH2 3.41Å; E55-R79 IonicContact OE2-CZ 2.69Å; E55-R79 IonicContact OE2-NH1 3.94Å; E55-R79 IonicContact OE2-NH2 3.37Å; E55-R79 PolarHBondContact OE2-NH2 2.75Å; E55-R79 VanDerWaalsContact OE2-NH2 3.08Å; R79-N81 PolarHBondContact O-N 3.47Å; R79-S82 VanDerWaalsContact O-CB 3.28Å; R79-S82 WeakPolarHBondContact O-CB 3.48Å; R79-S82 PolarHBondContact O-N 3.2Å; R79-S82 PolarHBondContact O-OG 3.34Å; R79-F142 CarbonylContact C-O 3.53Å; R79-F142 VanDerWaalsContact CA-O 3.28Å; R79-F142 WeakPolarHBondContact CA-O 3.34Å; R79-F142 HydrophobicContact CB-CE2 3.99Å; R79-F142 HydrophobicContact CB-CZ 4Å |
| 80 | R | 96.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 33.3 Ų | 33.3 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 132.6 | 170.5 | 178.9 | 177.5 | -70.8 | 163.2 | 1.9 | 110.3 | Y78 S82 E141 F142 | Y78-R80 PolarHBondContact O-N 3.05Å; R80-S82 PolarHBondContact O-N 3.39Å; R80-E141 IonicContact CZ-OE2 3.85Å; R80-E141 IonicContact NE-OE2 3.08Å; R80-E141 PolarHBondContact NE-OE2 2.98Å; R80-E141 IonicContact NH2-OE2 3.27Å; R80-E141 PolarHBondContact NH2-OE2 2.83Å; R80-F142 PolarHBondContact N-O 2.88Å |
| 81 | N | 93 | Very high | 94.6 | Very high | 155 Ų | 155 | 36.7 Ų | 36.7 | 83% | 0.829 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 8.1 | -175.7 | -52.2 | -31.4 | 0 | 0 | 0 | 115.9 | R79 | R79-N81 PolarHBondContact O-N 3.47Š|
| 82 | S | 94.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.2 | 173.5 | 165.2 | 80.4 | 0 | 0 | 0 | 0 | 111.2 | R79 R80 V84 | R79-S82 VanDerWaalsContact O-CB 3.28Å; R79-S82 WeakPolarHBondContact O-CB 3.48Å; R79-S82 PolarHBondContact O-N 3.2Å; R79-S82 PolarHBondContact O-OG 3.34Å; R80-S82 PolarHBondContact O-N 3.39Å; S82-V84 PolarHBondContact O-N 3.38Å |
| 83 | F | 95.4 | Very high | 93 | Very high | 68 Ų | 68 | 42 Ų | 42 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | trans | -59.3 | 137.6 | 172.6 | -70.8 | -40.3 | 0 | 0 | 0 | 112.3 | A59 T61 S64 R88 | A59-F83 HydrophobicContact CB-CD2 3.9Å; A59-F83 HydrophobicContact CB-CE2 3.78Å; A59-F83 WeakPolarHBondContact O-CB 3.4Å; A59-F83 WeakPolarHBondContact O-CD2 3.34Å; A59-F83 WeakPolarHBondContact O-CG 3.45Å; A59-F83 PolarHBondContact O-N 3.41Å; T61-F83 WeakPolarHBondContact OG1-CD2 3.4Å; S64-F83 WeakPolarHBondContact OG-CB 3.48Å; F83-R88 HydrophobicContact CB-CB 3.67Å; F83-R88 HydrophobicContact CD1-CB 3.79Å; F83-R88 HydrophobicContact CD2-CB 4.49Å; F83-R88 HydrophobicContact CG-CB 3.74Å | ||
| 84 | V | 96 | Very high | 92.3 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | trans | -116.6 | 155.5 | 174.6 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | Y78 S82 Y86 G87 R88 | Y78-V84 HydrophobicContact CD2-CG1 3.55Å; Y78-V84 HydrophobicContact CE1-CG1 4.4Å; Y78-V84 HydrophobicContact CE2-CG1 3.18Å; Y78-V84 HydrophobicContact CG-CG1 4.28Å; S82-V84 PolarHBondContact O-N 3.38Å; V84-Y86 PolarHBondContact O-N 2.9Å; V84-G87 PolarHBondContact O-N 2.88Å; V84-R88 PolarHBondContact O-N 3.49Å | ||
| 85 | P | 97 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137 | -179.6 | -21.9 | 34.4 | 0 | 0 | 0 | 110.3 | A67 E68 F76 G87 L137 | A67-P85 HydrophobicContact CB-CB 4.03Å; A67-P85 HydrophobicContact CB-CG 3.48Å; A67-P85 VanDerWaalsContact CB-CG 3.48Å; E68-P85 HydrophobicContact CG-CB 3.98Å; F76-P85 HydrophobicContact CD1-CG 4.13Å; F76-P85 HydrophobicContact CD2-CG 4.12Å; F76-P85 HydrophobicContact CE1-CG 4.21Å; F76-P85 HydrophobicContact CE2-CG 4.23Å; F76-P85 HydrophobicContact CG-CG 4.09Å; F76-P85 HydrophobicContact CZ-CG 4.28Å; P85-G87 PolarHBondContact O-N 2.81Å; P85-L137 HydrophobicContact CB-CD2 4.23Å; P85-L137 HydrophobicContact CG-CD1 4.31Å; P85-L137 HydrophobicContact CG-CD2 4.33Å |
| 86 | Y | 95.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -39.7 | -175.4 | -43.2 | -74.4 | 0 | 0 | 0 | 114.3 | E68 V84 R88 R89 W124 A127 Y128 A131 R136 L137 | E68-Y86 HydrophobicContact CB-CD1 4.46Å; E68-Y86 HydrophobicContact CB-CE1 4.02Å; E68-Y86 HydrophobicContact CG-CD1 3.84Å; E68-Y86 HydrophobicContact CG-CE1 3.84Å; E68-Y86 HydrophobicContact CG-CG 4.25Å; E68-Y86 WeakPolarHBondContact OE1-CA 3.22Å; E68-Y86 PolarHBondContact OE1-N 2.94Å; V84-Y86 PolarHBondContact O-N 2.9Å; Y86-R88 VanDerWaalsContact C-N 3.33Å; Y86-R88 PolarHBondContact O-N 2.99Å; Y86-R89 WeakPolarHBondContact O-CB 3.29Å; Y86-R89 WeakPolarHBondContact O-CG 3.39Å; Y86-R89 PolarHBondContact O-N 3.16Å; Y86-W124 HydrophobicContact CD1-CE3 4.41Å; Y86-A127 HydrophobicContact CD1-CB 3.71Å; Y86-A127 HydrophobicContact CE1-CB 3.53Å; Y86-Y128 AromaticContact CD2-CD2 3.91Å; Y86-Y128 HydrophobicContact CD2-CD2 3.91Å; Y86-Y128 HydrophobicContact CD2-CG 4.38Å; Y86-A131 HydrophobicContact CE2-CB 4.02Å; Y86-R136 PolarHBondContact OH-NH2 2.79Å; Y86-L137 HydrophobicContact CD2-CD2 4.47Å; Y86-L137 HydrophobicContact CE2-CD2 4.17Å |
| 87 | G | 92.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -65 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V84 P85 R89 F90 | V84-G87 PolarHBondContact O-N 2.88Å; P85-G87 PolarHBondContact O-N 2.81Å; G87-R89 PolarHBondContact O-N 2.82Å; G87-F90 WeakPolarHBondContact O-CB 3.44Å; G87-F90 WeakPolarHBondContact O-CD2 3.38Å; G87-F90 PolarHBondContact O-N 3.06Å |
| 88 | R | 92.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -62.1 | -12.8 | 177.6 | 77.1 | -178.3 | -170.8 | 88.4 | -5.7 | 115.4 | S64 A65 E68 F83 V84 Y86 R92 E351 | S64-R88 WeakPolarHBondContact OG-CD 3.46Å; A65-R88 VanDerWaalsContact CB-NH2 3.27Å; E68-R88 VanDerWaalsContact CD-NE 3.29Å; E68-R88 VanDerWaalsContact OE1-CD 3.29Å; E68-R88 WeakPolarHBondContact OE1-CD 3.09Å; E68-R88 WeakPolarHBondContact OE1-CG 3.43Å; E68-R88 IonicContact OE1-CZ 3.15Å; E68-R88 IonicContact OE1-NE 3.58Å; E68-R88 PolarHBondContact OE1-NE 3.24Å; E68-R88 IonicContact OE1-NH2 3.07Å; E68-R88 IonicContact OE2-CZ 3.79Å; E68-R88 IonicContact OE2-NE 3.91Å; E68-R88 PolarHBondContact OE2-NE 3.41Å; E68-R88 IonicContact OE2-NH2 2.75Å; E68-R88 PolarHBondContact OE2-NH2 2.77Å; F83-R88 HydrophobicContact CB-CB 3.67Å; F83-R88 HydrophobicContact CD1-CB 3.79Å; F83-R88 HydrophobicContact CD2-CB 4.49Å; F83-R88 HydrophobicContact CG-CB 3.74Å; V84-R88 PolarHBondContact O-N 3.49Å; Y86-R88 VanDerWaalsContact C-N 3.33Å; Y86-R88 PolarHBondContact O-N 2.99Å; R88-R92 PolarHBondContact O-NE 3.06Å; R88-E351 IonicContact CZ-OE1 2.65Å; R88-E351 IonicContact CZ-OE2 3.15Å; R88-E351 IonicContact NH1-OE1 3.34Å; R88-E351 PolarHBondContact NH1-OE1 2.89Å; R88-E351 IonicContact NH1-OE2 3.6Å; R88-E351 IonicContact NH2-OE1 2.68Å; R88-E351 PolarHBondContact NH2-OE1 3.09Å; R88-E351 IonicContact NH2-OE2 3.19Å; R88-E351 PolarHBondContact NH2-OE2 3.42Å |
| 89 | R | 89.1 | Confident | 90.2 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -77.7 | -19.5 | 177 | -57.9 | -65.2 | -171.4 | 172 | 4.2 | 111 | E68 Y86 G87 W124 E351 | E68-R89 IonicContact OE2-CZ 3.81Å; E68-R89 IonicContact OE2-NE 2.64Å; E68-R89 PolarHBondContact OE2-NE 3.1Å; E68-R89 IonicContact OE2-NH2 3.36Å; E68-R89 PolarHBondContact OE2-NH2 2.94Å; E68-R89 VanDerWaalsContact OE2-NH2 3.07Å; Y86-R89 WeakPolarHBondContact O-CB 3.29Å; Y86-R89 WeakPolarHBondContact O-CG 3.39Å; Y86-R89 PolarHBondContact O-N 3.16Å; G87-R89 PolarHBondContact O-N 2.82Å; R89-W124 HydrophobicContact CB-CG 4.04Å; R89-W124 HydrophobicContact CG-CB 4.48Å; R89-W124 HydrophobicContact CG-CD2 3.82Å; R89-W124 HydrophobicContact CG-CE3 4.42Å; R89-W124 HydrophobicContact CG-CG 3.81Å; R89-E351 IonicContact CZ-OE2 2.77Å; R89-E351 VanDerWaalsContact NH1-CD 3.35Å; R89-E351 IonicContact NH1-OE1 3.57Å; R89-E351 PolarHBondContact NH1-OE1 3.38Å; R89-E351 IonicContact NH1-OE2 3.83Å; R89-E351 PolarHBondContact NH1-OE2 3.15Å; R89-E351 IonicContact NH2-OE2 3.74Å; R89-E351 PolarHBondContact NH2-OE2 3.47Å |
| 90 | F | 87.6 | Confident | 90 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -91.2 | 159.2 | 174.4 | -58.5 | -94.6 | 0 | 0 | 0 | 109.9 | G87 R92 I113 V118 A121 W124 V125 | G87-F90 WeakPolarHBondContact O-CB 3.44Å; G87-F90 WeakPolarHBondContact O-CD2 3.38Å; G87-F90 PolarHBondContact O-N 3.06Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.48Å; F90-I113 HydrophobicContact CE1-CD1 4.05Å; F90-V118 HydrophobicContact CD1-CG1 3.83Å; F90-V118 HydrophobicContact CD1-CG2 4.41Å; F90-V118 HydrophobicContact CE1-CG1 3.83Å; F90-V118 HydrophobicContact CG-CG1 4.42Å; F90-V118 HydrophobicContact CZ-CG1 4.41Å; F90-A121 HydrophobicContact CE1-CB 4.02Å; F90-A121 HydrophobicContact CZ-CB 4.12Å; F90-W124 HydrophobicContact CE2-CB 4.24Å; F90-V125 HydrophobicContact CE2-CG2 4.47Å; F90-V125 HydrophobicContact CZ-CG2 3.79Å |
| 91 | L | 78.1 | Confident | 89.9 | Confident | 80 Ų | 80 | 62 Ų | 62 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | trans | 60.6 | 27.3 | 171.2 | -46.7 | 178.8 | 0 | 0 | 0 | 115.7 | G93 L94 L96 | L91-G93 PolarHBondContact O-N 3.14Å; L91-L94 WeakPolarHBondContact CA-O 3.42Å; L91-L94 WeakPolarHBondContact CD2-O 3.34Å; L91-L96 VanDerWaalsContact CD2-CA 3.5Å; L91-L96 HydrophobicContact CD2-CB 4.05Å; L91-L96 HydrophobicContact CD2-CD1 4.11Å | ||
| 92 | R | 77.1 | Confident | 89.9 | Confident | 141 Ų | 141 | 58.8 Ų | 58.8 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -69.8 | 69.6 | 176.2 | -69.2 | -175.4 | 169.2 | -161.5 | -5.4 | 111.7 | R88 F90 L94 E351 | R88-R92 PolarHBondContact O-NE 3.06Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.48Å; R92-L94 VanDerWaalsContact C-N 3.34Å; R92-E351 IonicContact NH2-OE1 3.07Å; R92-E351 PolarHBondContact NH2-OE1 3.3Å; R92-E351 VanDerWaalsContact NH2-OE1 3.13Å |
| 93 | G | 79.6 | Confident | 89.9 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 82.8 | 11 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | L91 | L91-G93 PolarHBondContact O-N 3.14Š|
| 94 | L | 83.5 | Confident | 89.9 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | trans | -110.6 | 143.2 | 178 | -60.3 | 176.2 | 0 | 0 | 0 | 109.7 | L91 R92 E98 K117 | L91-L94 WeakPolarHBondContact CA-O 3.42Å; L91-L94 WeakPolarHBondContact CD2-O 3.34Å; R92-L94 VanDerWaalsContact C-N 3.34Å; L94-E98 HydrophobicContact CB-CB 4.3Å; L94-E98 HydrophobicContact CD2-CB 4.33Å; L94-K117 HydrophobicContact CD1-CB 3.93Å; L94-K117 HydrophobicContact CD1-CD 4.33Å; L94-K117 HydrophobicContact CD2-CD 4.41Å | ||
| 95 | N | 86.6 | Confident | 89.8 | Confident | 111 Ų | 111 | 66 Ų | 66 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | trans | -71.7 | 157.9 | 161.7 | -63.5 | -69.1 | 0 | 0 | 0 | 110.3 | T97 E98 C99 | N95-T97 PolarHBondContact O-N 2.97Å; N95-E98 HydrophobicContact CB-CG 4.26Å; N95-E98 WeakPolarHBondContact CB-OE2 3.18Å; N95-E98 PolarHBondContact N-OE2 3.35Å; N95-E98 PolarHBondContact ND2-OE2 3.27Å; N95-E98 WeakPolarHBondContact O-CB 3.33Å; N95-E98 PolarHBondContact O-N 3.27Å; N95-C99 PolarHBondContact O-N 3.24Å | ||
| 96 | L | 88.7 | Confident | 89.6 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 56% | 0.555 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -56.7 | -39.6 | -179 | -176 | 65.2 | 0 | 0 | 0 | 112.5 | L91 E98 C99 F100 | L91-L96 VanDerWaalsContact CD2-CA 3.5Å; L91-L96 HydrophobicContact CD2-CB 4.05Å; L91-L96 HydrophobicContact CD2-CD1 4.11Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.19Å; L96-C99 WeakPolarHBondContact O-CB 3.49Å; L96-C99 PolarHBondContact O-N 2.98Å; L96-F100 HydrophobicContact CD1-CE2 3.86Å; L96-F100 HydrophobicContact CD1-CZ 3.63Å; L96-F100 HydrophobicContact CD2-CE2 4.28Å; L96-F100 HydrophobicContact CG-CE2 3.63Å; L96-F100 HydrophobicContact CG-CZ 3.96Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.31Å; L96-F100 WeakPolarHBondContact O-CE2 3.39Å |
| 97 | T | 91.1 | Very high | 89.6 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67 | -29.8 | 178.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | N95 C99 F100 | N95-T97 PolarHBondContact O-N 2.97Å; T97-C99 PolarHBondContact O-N 3.44Å; T97-F100 PolarHBondContact O-N 3.01Å |
| 98 | E | 91.2 | Very high | 89.7 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -73.8 | -18.7 | 176.7 | -62.7 | 177.2 | 88.2 | 0 | 0 | 112.5 | L94 N95 L96 F100 K117 | L94-E98 HydrophobicContact CB-CB 4.3Å; L94-E98 HydrophobicContact CD2-CB 4.33Å; N95-E98 HydrophobicContact CB-CG 4.26Å; N95-E98 WeakPolarHBondContact CB-OE2 3.18Å; N95-E98 PolarHBondContact N-OE2 3.35Å; N95-E98 PolarHBondContact ND2-OE2 3.27Å; N95-E98 WeakPolarHBondContact O-CB 3.33Å; N95-E98 PolarHBondContact O-N 3.27Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.19Å; E98-F100 PolarHBondContact O-N 3.04Å; E98-K117 WeakPolarHBondContact O-CG 3.43Å |
| 99 | C | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.007 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -78.2 | -7.1 | 173.3 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | N95 L96 T97 I113 D114 V118 | N95-C99 PolarHBondContact O-N 3.24Å; L96-C99 WeakPolarHBondContact O-CB 3.49Å; L96-C99 PolarHBondContact O-N 2.98Å; T97-C99 PolarHBondContact O-N 3.44Å; C99-I113 CarbonylContact O-C 3.57Å; C99-I113 WeakPolarHBondContact O-CA 3.32Å; C99-D114 PolarHBondContact O-N 3.09Å; C99-V118 HydrophobicContact CB-CG2 3.88Å |
| 100 | F | 93.4 | Very high | 90.1 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.4 | -172.3 | -58.8 | -39.2 | 0 | 0 | 0 | 113.5 | L96 T97 E98 V111 Q112 I113 | L96-F100 HydrophobicContact CD1-CE2 3.86Å; L96-F100 HydrophobicContact CD1-CZ 3.63Å; L96-F100 HydrophobicContact CD2-CE2 4.28Å; L96-F100 HydrophobicContact CG-CE2 3.63Å; L96-F100 HydrophobicContact CG-CZ 3.96Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.31Å; L96-F100 WeakPolarHBondContact O-CE2 3.39Å; T97-F100 PolarHBondContact O-N 3.01Å; E98-F100 PolarHBondContact O-N 3.04Å; F100-V111 HydrophobicContact CB-CG1 3.71Å; F100-V111 HydrophobicContact CD1-CG1 4.14Å; F100-V111 HydrophobicContact CD2-CG1 4Å; F100-V111 HydrophobicContact CG-CG1 3.7Å; F100-Q112 CarbonylContact C-O 3.59Å; F100-Q112 WeakPolarHBondContact CA-O 3.37Å; F100-I113 HydrophobicContact CD1-CG1 4.2Å; F100-I113 HydrophobicContact CE1-CG1 4.06Å |
| 101 | Q | 93.6 | Very high | 90.5 | Very high | 69 Ų | 69 | 84.2 Ų | 84.2 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.9 | 164.6 | 66.7 | -177 | 14.8 | 0 | 0 | 108.7 | Q112 D114 | Q101-Q112 HydrophobicContact CG-CB 3.89Å; Q101-Q112 PolarHBondContact N-O 3.07Å; Q101-Q112 VanDerWaalsContact NE2-OE1 3.11Å; Q101-Q112 PolarHBondContact O-N 3.29Å; Q101-D114 HydrophobicContact CB-CB 4.44Å |
| 102 | V | 94.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.3 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | T104 P109 V110 V111 | V102-T104 HydrophobicContact CG1-CG2 3.97Å; V102-P109 HydrophobicContact CG1-CB 3.88Å; V102-V110 WeakPolarHBondContact CA-O 3.1Å; V102-V111 HydrophobicContact CG2-CG2 4.38Å |
| 103 | D | 93.9 | Very high | 92 | Very high | 60 Ų | 60 | 80.2 Ų | 80.2 | 32% | 0.321 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.1 | 169.1 | -175.4 | -0.8 | 0 | 0 | 0 | 109.1 | S105 P109 V110 | D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.31Å; D103-S105 PolarHBondContact OD1-N 2.88Å; D103-S105 PolarHBondContact OD1-OG 2.81Å; D103-S105 PolarHBondContact OD2-OG 3.01Å; D103-P109 CarbonylContact O-C 3.58Å; D103-P109 WeakPolarHBondContact O-CA 3.44Å; D103-V110 PolarHBondContact N-O 3.24Å; D103-V110 PolarHBondContact O-N 3.15Å |
| 104 | T | 95.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | trans | -111.4 | 10.8 | -179.5 | 54 | 0 | 0 | 0 | 0 | 112.7 | V102 G106 P109 | V102-T104 HydrophobicContact CG1-CG2 3.97Å; T104-G106 VanDerWaalsContact C-N 3.35Å; T104-P109 HydrophobicContact CG2-CB 4.32Å; T104-P109 HydrophobicContact CG2-CG 4.5Å | ||
| 105 | S | 94.5 | Very high | 93 | Very high | 106 Ų | 106 | 78.8 Ų | 78.8 | 74% | 0.741 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -74.8 | -22.6 | -178.6 | 65.3 | 0 | 0 | 0 | 0 | 114 | D103 | D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.31Å; D103-S105 PolarHBondContact OD1-N 2.88Å; D103-S105 PolarHBondContact OD1-OG 2.81Å; D103-S105 PolarHBondContact OD2-OG 3.01Å |
| 106 | G | 92.6 | Very high | 93.2 | Very high | 37 Ų | 37 | 83.1 Ų | 83.1 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -86.6 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T104 A108 | T104-G106 VanDerWaalsContact C-N 3.35Å; G106-A108 PolarHBondContact O-N 3.09Å; G106-A108 VanDerWaalsContact O-N 3.13Å |
| 107 | P | 94.5 | Very high | 93.4 | Very high | 152 Ų | 152 | 83 Ų | 83 | 99% | 0.987 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -64.4 | -16.5 | 178.2 | 27.7 | -35.4 | 0 | 0 | 0 | 113.5 | ||
| 108 | A | 94.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -141.7 | 146.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G106 V110 | G106-A108 PolarHBondContact O-N 3.09Å; G106-A108 VanDerWaalsContact O-N 3.13Å; A108-V110 PolarHBondContact O-N 3.4Å |
| 109 | P | 94.9 | Very high | 93.2 | Very high | 96 Ų | 96 | 78 Ų | 78 | 62% | 0.623 | 45% | 0.448 | S | S | * | . | trans | -60.2 | 132.6 | 174.8 | -22.7 | 33.3 | 0 | 0 | 0 | 112.1 | V102 D103 T104 | V102-P109 HydrophobicContact CG1-CB 3.88Å; D103-P109 CarbonylContact O-C 3.58Å; D103-P109 WeakPolarHBondContact O-CA 3.44Å; T104-P109 HydrophobicContact CG2-CB 4.32Å; T104-P109 HydrophobicContact CG2-CG 4.5Å | ||
| 110 | V | 95.7 | Very high | 93.1 | Very high | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V102 D103 A108 Q112 | V102-V110 WeakPolarHBondContact CA-O 3.1Å; D103-V110 PolarHBondContact N-O 3.24Å; D103-V110 PolarHBondContact O-N 3.15Å; A108-V110 PolarHBondContact O-N 3.4Å; V110-Q112 HydrophobicContact CG1-CG 4.08Å |
| 111 | V | 94.5 | Very high | 93.1 | Very high | 93 Ų | 93 | 79.7 Ų | 79.7 | 56% | 0.564 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.1 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | F100 V102 | F100-V111 HydrophobicContact CB-CG1 3.71Å; F100-V111 HydrophobicContact CD1-CG1 4.14Å; F100-V111 HydrophobicContact CD2-CG1 4Å; F100-V111 HydrophobicContact CG-CG1 3.7Å; V102-V111 HydrophobicContact CG2-CG2 4.38Å |
| 112 | Q | 93.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 80.4 Ų | 80.4 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 156.5 | 178.2 | -62.3 | 178.5 | -29.1 | 0 | 0 | 109.9 | F100 Q101 V110 | F100-Q112 CarbonylContact C-O 3.59Å; F100-Q112 WeakPolarHBondContact CA-O 3.37Å; Q101-Q112 HydrophobicContact CG-CB 3.89Å; Q101-Q112 PolarHBondContact N-O 3.07Å; Q101-Q112 VanDerWaalsContact NE2-OE1 3.11Å; Q101-Q112 PolarHBondContact O-N 3.29Å; V110-Q112 HydrophobicContact CG1-CG 4.08Å |
| 113 | I | 93.3 | Very high | 93 | Very high | 57 Ų | 57 | 82.1 Ų | 82.1 | 29% | 0.292 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127.3 | 172.2 | -61.9 | 158.9 | 0 | 0 | 0 | 108.1 | F90 C99 F100 P115 V118 A121 | F90-I113 HydrophobicContact CE1-CD1 4.05Å; C99-I113 CarbonylContact O-C 3.57Å; C99-I113 WeakPolarHBondContact O-CA 3.32Å; F100-I113 HydrophobicContact CD1-CG1 4.2Å; F100-I113 HydrophobicContact CE1-CG1 4.06Å; I113-P115 VanDerWaalsContact O-CD 3.24Å; I113-P115 WeakPolarHBondContact O-CD 3.35Å; I113-V118 HydrophobicContact CG2-CB 3.82Å; I113-V118 HydrophobicContact CG2-CG2 4.18Å; I113-A121 HydrophobicContact CB-CB 4.26Å; I113-A121 HydrophobicContact CD1-CB 4.01Å; I113-A121 HydrophobicContact CG2-CB 3.59Å |
| 114 | D | 92.7 | Very high | 93 | Very high | 9 Ų | 9 | 81.3 Ų | 81.3 | 5% | 0.048 | 47% | 0.468 | C | S | . | . | trans | -68.9 | 111.8 | 176.4 | -175.6 | -23.5 | 0 | 0 | 0 | 109.1 | C99 Q101 R116 K117 V118 | C99-D114 PolarHBondContact O-N 3.09Å; Q101-D114 HydrophobicContact CB-CB 4.44Å; D114-R116 PolarHBondContact O-N 3.45Å; D114-R116 VanDerWaalsContact OD1-CB 3.24Å; D114-R116 WeakPolarHBondContact OD1-CB 3.38Å; D114-R116 WeakPolarHBondContact OD1-CG 3.46Å; D114-R116 IonicContact OD1-CZ 3.89Å; D114-R116 PolarHBondContact OD1-N 3.13Å; D114-R116 IonicContact OD1-NE 3.06Å; D114-R116 PolarHBondContact OD1-NE 3.49Å; D114-R116 IonicContact OD1-NH2 3.81Å; D114-R116 IonicContact OD2-CZ 3.47Å; D114-R116 IonicContact OD2-NE 3.34Å; D114-R116 PolarHBondContact OD2-NE 2.77Å; D114-R116 IonicContact OD2-NH2 2.77Å; D114-R116 PolarHBondContact OD2-NH2 2.79Å; D114-K117 HydrophobicContact CB-CB 4.11Å; D114-K117 HydrophobicContact CB-CG 4.01Å; D114-K117 PolarHBondContact O-N 2.75Å; D114-V118 PolarHBondContact O-N 3.21Å | ||
| 115 | P | 91.5 | Very high | 93 | Very high | 80 Ų | 80 | 78.6 Ų | 78.6 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.1 | -175.7 | 28.7 | -35.5 | 0 | 0 | 0 | 113.1 | I113 P119 | I113-P115 VanDerWaalsContact O-CD 3.24Å; I113-P115 WeakPolarHBondContact O-CD 3.35Å; P115-P119 WeakPolarHBondContact O-CA 3.44Å |
| 116 | R | 92 | Very high | 93.1 | Very high | 201 Ų | 201 | 77.8 Ų | 77.8 | 76% | 0.758 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -29.3 | 175.3 | -55.7 | 169.8 | -65.3 | -178.1 | 2 | 111.6 | D114 | D114-R116 PolarHBondContact O-N 3.45Å; D114-R116 VanDerWaalsContact OD1-CB 3.24Å; D114-R116 WeakPolarHBondContact OD1-CB 3.38Å; D114-R116 WeakPolarHBondContact OD1-CG 3.46Å; D114-R116 IonicContact OD1-CZ 3.89Å; D114-R116 PolarHBondContact OD1-N 3.13Å; D114-R116 IonicContact OD1-NE 3.06Å; D114-R116 PolarHBondContact OD1-NE 3.49Å; D114-R116 IonicContact OD1-NH2 3.81Å; D114-R116 IonicContact OD2-CZ 3.47Å; D114-R116 IonicContact OD2-NE 3.34Å; D114-R116 PolarHBondContact OD2-NE 2.77Å; D114-R116 IonicContact OD2-NH2 2.77Å; D114-R116 PolarHBondContact OD2-NH2 2.79Å |
| 117 | K | 91 | Very high | 93.3 | Very high | 103 Ų | 103 | 77.2 Ų | 77.2 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -37.6 | -178.6 | -64.9 | -70.4 | -172.2 | 174 | 0 | 111.7 | L94 E98 D114 | L94-K117 HydrophobicContact CD1-CB 3.93Å; L94-K117 HydrophobicContact CD1-CD 4.33Å; L94-K117 HydrophobicContact CD2-CD 4.41Å; E98-K117 WeakPolarHBondContact O-CG 3.43Å; D114-K117 HydrophobicContact CB-CB 4.11Å; D114-K117 HydrophobicContact CB-CG 4.01Å; D114-K117 PolarHBondContact O-N 2.75Å |
| 118 | V | 90.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.03 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -128.6 | 81 | 177.9 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | F90 C99 I113 D114 A121 | F90-V118 HydrophobicContact CD1-CG1 3.83Å; F90-V118 HydrophobicContact CD1-CG2 4.41Å; F90-V118 HydrophobicContact CE1-CG1 3.83Å; F90-V118 HydrophobicContact CG-CG1 4.42Å; F90-V118 HydrophobicContact CZ-CG1 4.41Å; C99-V118 HydrophobicContact CB-CG2 3.88Å; I113-V118 HydrophobicContact CG2-CB 3.82Å; I113-V118 HydrophobicContact CG2-CG2 4.18Å; D114-V118 PolarHBondContact O-N 3.21Å; V118-A121 HydrophobicContact CB-CB 4.23Å; V118-A121 HydrophobicContact CG1-CB 3.88Å; V118-A121 WeakPolarHBondContact O-CB 3.33Å; V118-A121 PolarHBondContact O-N 2.69Å |
| 119 | P | 89.3 | Confident | 93.5 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 144 | 178.6 | 25.8 | -34.1 | 0 | 0 | 0 | 110.8 | P115 A121 | P115-P119 WeakPolarHBondContact O-CA 3.44Å; P119-A121 PolarHBondContact O-N 2.94Å |
| 120 | N | 89.6 | Confident | 93.6 | Very high | 107 Ų | 107 | 76.1 Ų | 76.1 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.7 | -179.2 | -58.9 | -51.2 | 0 | 0 | 0 | 114.9 | S122 K123 W124 | N120-S122 VanDerWaalsContact C-N 3.27Å; N120-S122 PolarHBondContact O-N 3.14Å; N120-K123 HydrophobicContact CB-CB 4.32Å; N120-K123 VanDerWaalsContact O-CB 3.31Å; N120-K123 WeakPolarHBondContact O-CB 3.24Å; N120-K123 PolarHBondContact O-N 3.46Å; N120-W124 PolarHBondContact O-N 3.37Å |
| 121 | A | 92.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -51.5 | -43.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F90 I113 V118 P119 K123 W124 V125 | F90-A121 HydrophobicContact CE1-CB 4.02Å; F90-A121 HydrophobicContact CZ-CB 4.12Å; I113-A121 HydrophobicContact CB-CB 4.26Å; I113-A121 HydrophobicContact CD1-CB 4.01Å; I113-A121 HydrophobicContact CG2-CB 3.59Å; V118-A121 HydrophobicContact CB-CB 4.23Å; V118-A121 HydrophobicContact CG1-CB 3.88Å; V118-A121 WeakPolarHBondContact O-CB 3.33Å; V118-A121 PolarHBondContact O-N 2.69Å; P119-A121 PolarHBondContact O-N 2.94Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 2.91Å; A121-W124 PolarHBondContact O-N 3.18Å; A121-W124 VanDerWaalsContact O-N 3.15Å; A121-V125 WeakPolarHBondContact O-CG2 3.43Å; A121-V125 PolarHBondContact O-N 2.96Å |
| 122 | S | 93.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 71.7 Ų | 71.7 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 178.6 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | N120 W124 V125 L126 | N120-S122 VanDerWaalsContact C-N 3.27Å; N120-S122 PolarHBondContact O-N 3.14Å; S122-W124 VanDerWaalsContact C-N 3.32Å; S122-W124 PolarHBondContact O-N 2.95Å; S122-V125 PolarHBondContact O-N 3.38Å; S122-L126 WeakPolarHBondContact O-CB 3.49Å; S122-L126 VanDerWaalsContact O-CG 3.22Å; S122-L126 WeakPolarHBondContact O-CG 3.35Å; S122-L126 PolarHBondContact O-N 3.26Å |
| 123 | K | 94.3 | Very high | 93.9 | Very high | 123 Ų | 123 | 75.3 Ų | 75.3 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 175.1 | 179.1 | -174.5 | 176.7 | -179.8 | 0 | 110.9 | N120 A121 A127 | N120-K123 HydrophobicContact CB-CB 4.32Å; N120-K123 VanDerWaalsContact O-CB 3.31Å; N120-K123 WeakPolarHBondContact O-CB 3.24Å; N120-K123 PolarHBondContact O-N 3.46Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 2.91Å; K123-A127 VanDerWaalsContact O-CB 3.3Å; K123-A127 WeakPolarHBondContact O-CB 3.32Å; K123-A127 PolarHBondContact O-N 2.65Å |
| 124 | W | 93.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 80.3 Ų | 80.3 | 16% | 0.163 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.2 | -41.3 | -177.4 | -54.3 | 126.1 | 0 | 0 | 0 | 112.7 | Y86 R89 F90 N120 A121 S122 A127 Y128 | Y86-W124 HydrophobicContact CD1-CE3 4.41Å; R89-W124 HydrophobicContact CB-CG 4.04Å; R89-W124 HydrophobicContact CG-CB 4.48Å; R89-W124 HydrophobicContact CG-CD2 3.82Å; R89-W124 HydrophobicContact CG-CE3 4.42Å; R89-W124 HydrophobicContact CG-CG 3.81Å; F90-W124 HydrophobicContact CE2-CB 4.24Å; N120-W124 PolarHBondContact O-N 3.37Å; A121-W124 PolarHBondContact O-N 3.18Å; A121-W124 VanDerWaalsContact O-N 3.15Å; S122-W124 VanDerWaalsContact C-N 3.32Å; S122-W124 PolarHBondContact O-N 2.95Å; W124-A127 PolarHBondContact O-N 3.09Å; W124-Y128 PolarHBondContact O-N 2.9Å |
| 125 | V | 94.9 | Very high | 94 | Very high | 49 Ų | 49 | 85.4 Ų | 85.4 | 30% | 0.297 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | F90 A121 S122 A127 Y128 Q129 | F90-V125 HydrophobicContact CE2-CG2 4.47Å; F90-V125 HydrophobicContact CZ-CG2 3.79Å; A121-V125 WeakPolarHBondContact O-CG2 3.43Å; A121-V125 PolarHBondContact O-N 2.96Å; S122-V125 PolarHBondContact O-N 3.38Å; V125-A127 VanDerWaalsContact C-N 3.35Å; V125-A127 PolarHBondContact O-N 2.9Å; V125-Y128 PolarHBondContact O-N 3.37Å; V125-Q129 HydrophobicContact CG1-CG 4.45Å; V125-Q129 WeakPolarHBondContact O-CG 3.45Å; V125-Q129 PolarHBondContact O-N 3.49Å |
| 126 | L | 96.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 83.9 Ų | 83.9 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178 | -71.7 | 171.2 | 0 | 0 | 0 | 111.6 | S122 Y128 Q129 Q130 | S122-L126 WeakPolarHBondContact O-CB 3.49Å; S122-L126 VanDerWaalsContact O-CG 3.22Å; S122-L126 WeakPolarHBondContact O-CG 3.35Å; S122-L126 PolarHBondContact O-N 3.26Å; L126-Y128 PolarHBondContact O-N 3.44Å; L126-Q129 PolarHBondContact O-N 3.47Å; L126-Q130 WeakPolarHBondContact O-CB 3.43Å; L126-Q130 VanDerWaalsContact O-CG 3.25Å; L126-Q130 WeakPolarHBondContact O-CG 3.37Å; L126-Q130 PolarHBondContact O-N 2.99Å |
| 127 | A | 96.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 74.7 Ų | 74.7 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y86 K123 W124 V125 Q130 A131 | Y86-A127 HydrophobicContact CD1-CB 3.71Å; Y86-A127 HydrophobicContact CE1-CB 3.53Å; K123-A127 VanDerWaalsContact O-CB 3.3Å; K123-A127 WeakPolarHBondContact O-CB 3.32Å; K123-A127 PolarHBondContact O-N 2.65Å; W124-A127 PolarHBondContact O-N 3.09Å; V125-A127 VanDerWaalsContact C-N 3.35Å; V125-A127 PolarHBondContact O-N 2.9Å; A127-Q130 PolarHBondContact O-N 2.98Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.5Å |
| 128 | Y | 96.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 70.9 Ų | 70.9 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 173.3 | 176.1 | -100.2 | 0 | 0 | 0 | 111.5 | Y86 W124 V125 L126 Q130 A131 M132 L139 | Y86-Y128 AromaticContact CD2-CD2 3.91Å; Y86-Y128 HydrophobicContact CD2-CD2 3.91Å; Y86-Y128 HydrophobicContact CD2-CG 4.38Å; W124-Y128 PolarHBondContact O-N 2.9Å; V125-Y128 PolarHBondContact O-N 3.37Å; L126-Y128 PolarHBondContact O-N 3.44Å; Y128-Q130 VanDerWaalsContact C-N 3.3Å; Y128-Q130 PolarHBondContact O-N 2.9Å; Y128-A131 PolarHBondContact O-N 3.43Å; Y128-A131 VanDerWaalsContact O-N 3.14Å; Y128-M132 HydrophobicContact CD1-CG 4.24Å; Y128-M132 HydrophobicContact CD2-CG 4.28Å; Y128-M132 HydrophobicContact CE1-CG 3.82Å; Y128-M132 HydrophobicContact CE2-CG 3.86Å; Y128-M132 HydrophobicContact CE2-SD 4.04Å; Y128-M132 HydrophobicContact CG-CG 4.46Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; Y128-M132 PolarHBondContact O-N 3.31Å; Y128-L139 HydrophobicContact CE2-CD1 4.49Å |
| 129 | Q | 97.2 | Very high | 95.2 | Very high | 102 Ų | 102 | 72.7 Ų | 72.7 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 179.7 | -73.2 | 175.9 | -12.3 | 0 | 0 | 111.8 | V125 L126 M132 M133 | V125-Q129 HydrophobicContact CG1-CG 4.45Å; V125-Q129 WeakPolarHBondContact O-CG 3.45Å; V125-Q129 PolarHBondContact O-N 3.49Å; L126-Q129 PolarHBondContact O-N 3.47Å; Q129-M132 PolarHBondContact O-N 3.47Å; Q129-M133 WeakPolarHBondContact O-CB 3.47Å; Q129-M133 PolarHBondContact O-N 3.09Å |
| 130 | Q | 97.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.8 | -73.2 | 176.7 | 10.5 | 0 | 0 | 112.2 | L126 A127 Y128 M132 M133 R134 | L126-Q130 WeakPolarHBondContact O-CB 3.43Å; L126-Q130 VanDerWaalsContact O-CG 3.25Å; L126-Q130 WeakPolarHBondContact O-CG 3.37Å; L126-Q130 PolarHBondContact O-N 2.99Å; A127-Q130 PolarHBondContact O-N 2.98Å; Y128-Q130 VanDerWaalsContact C-N 3.3Å; Y128-Q130 PolarHBondContact O-N 2.9Å; Q130-M132 VanDerWaalsContact C-N 3.35Å; Q130-M133 PolarHBondContact O-N 3.08Å; Q130-R134 VanDerWaalsContact O-CB 3.28Å; Q130-R134 WeakPolarHBondContact O-CB 2.96Å; Q130-R134 VanDerWaalsContact O-CG 3.31Å; Q130-R134 WeakPolarHBondContact O-CG 3.34Å; Q130-R134 PolarHBondContact O-N 3.46Å |
| 131 | A | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y86 A127 Y128 K135 R136 L137 | Y86-A131 HydrophobicContact CE2-CB 4.02Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.5Å; Y128-A131 PolarHBondContact O-N 3.43Å; Y128-A131 VanDerWaalsContact O-N 3.14Å; A131-K135 PolarHBondContact O-N 2.92Å; A131-R136 PolarHBondContact O-N 2.87Å; A131-L137 HydrophobicContact CB-CB 4.14Å |
| 132 | M | 96.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.3 | -46.9 | 176.7 | -64 | -55.9 | -69.1 | 0 | 0 | 111.9 | Y128 Q129 Q130 R134 K135 L137 | Y128-M132 HydrophobicContact CD1-CG 4.24Å; Y128-M132 HydrophobicContact CD2-CG 4.28Å; Y128-M132 HydrophobicContact CE1-CG 3.82Å; Y128-M132 HydrophobicContact CE2-CG 3.86Å; Y128-M132 HydrophobicContact CE2-SD 4.04Å; Y128-M132 HydrophobicContact CG-CG 4.46Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; Y128-M132 PolarHBondContact O-N 3.31Å; Q129-M132 PolarHBondContact O-N 3.47Å; Q130-M132 VanDerWaalsContact C-N 3.35Å; M132-R134 PolarHBondContact O-N 3.3Å; M132-K135 WeakPolarHBondContact O-CA 3.45Å; M132-K135 PolarHBondContact O-N 2.9Å; M132-L137 HydrophobicContact SD-CB 4.37Å; M132-L137 HydrophobicContact SD-CD2 4.46Å |
| 133 | M | 95.8 | Very high | 96.4 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 77% | 0.768 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 179.3 | -177.4 | -166.3 | -66.2 | 0 | 0 | 112 | Q129 Q130 K135 | Q129-M133 WeakPolarHBondContact O-CB 3.47Å; Q129-M133 PolarHBondContact O-N 3.09Å; Q130-M133 PolarHBondContact O-N 3.08Å; M133-K135 PolarHBondContact O-N 3.4Å |
| 134 | R | 94 | Very high | 96.4 | Very high | 162 Ų | 162 | 58.4 Ų | 58.4 | 61% | 0.611 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.3 | 175.9 | -66.6 | 177.9 | 177.6 | 166.6 | 0.8 | 113 | Q130 M132 R136 | Q130-R134 VanDerWaalsContact O-CB 3.28Å; Q130-R134 WeakPolarHBondContact O-CB 2.96Å; Q130-R134 VanDerWaalsContact O-CG 3.31Å; Q130-R134 WeakPolarHBondContact O-CG 3.34Å; Q130-R134 PolarHBondContact O-N 3.46Å; M132-R134 PolarHBondContact O-N 3.3Å; R134-R136 PolarHBondContact O-N 3.29Å |
| 135 | K | 94.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 56.7 Ų | 56.7 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 43.7 | -174.6 | -60.2 | 179.2 | 176.7 | -176.1 | 0 | 111.6 | F22 Q25 H26 A131 M132 M133 | F22-K135 WeakPolarHBondContact CE2-O 3.22Å; Q25-K135 VanDerWaalsContact OE1-NZ 3.16Å; H26-K135 PolarHBondContact CE1-O 2.95Å; H26-K135 PolarHBondContact NE2-O 3.03Å; A131-K135 PolarHBondContact O-N 2.92Å; M132-K135 WeakPolarHBondContact O-CA 3.45Å; M132-K135 PolarHBondContact O-N 2.9Å; M133-K135 PolarHBondContact O-N 3.4Å |
| 136 | R | 95.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 18% | 0.181 | 26% | 0.26 | C | S | . | . | trans | -89.2 | -20.3 | 177.2 | -165.6 | -174.6 | 72.8 | 90.7 | -7.6 | 112 | T70 Y72 A73 V74 Y86 A131 R134 | T70-R136 PolarHBondContact O-NH1 3.33Å; Y72-R136 VanDerWaalsContact O-CG 3.27Å; Y72-R136 WeakPolarHBondContact O-CG 3.45Å; Y72-R136 PolarHBondContact O-NH1 3.16Å; A73-R136 CarbonylContact C-O 3.52Å; V74-R136 PolarHBondContact N-O 3.02Å; Y86-R136 PolarHBondContact OH-NH2 2.79Å; A131-R136 PolarHBondContact O-N 2.87Å; R134-R136 PolarHBondContact O-N 3.29Å | ||
| 137 | L | 98 | Very high | 96 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.5 | -178.5 | 179.4 | 62.7 | 0 | 0 | 0 | 110.2 | V74 F76 P85 Y86 A131 M132 L139 | V74-L137 HydrophobicContact CB-CD1 3.92Å; V74-L137 HydrophobicContact CG1-CD1 3.9Å; V74-L137 WeakPolarHBondContact O-CA 3.42Å; F76-L137 HydrophobicContact CB-CD1 4.04Å; P85-L137 HydrophobicContact CB-CD2 4.23Å; P85-L137 HydrophobicContact CG-CD1 4.31Å; P85-L137 HydrophobicContact CG-CD2 4.33Å; Y86-L137 HydrophobicContact CD2-CD2 4.47Å; Y86-L137 HydrophobicContact CE2-CD2 4.17Å; A131-L137 HydrophobicContact CB-CB 4.14Å; M132-L137 HydrophobicContact SD-CB 4.37Å; M132-L137 HydrophobicContact SD-CD2 4.46Å; L137-L139 HydrophobicContact CD1-CD2 3.98Å; L137-L139 HydrophobicContact CD2-CD2 4.01Å; L137-L139 HydrophobicContact CG-CD2 3.93Å; L137-L139 HydrophobicContact CG-CG 4.4Å |
| 138 | L | 98.4 | Very high | 96 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124 | 169.1 | 175.2 | 64.7 | 0 | 0 | 0 | 109.2 | K18 V19 F22 V74 I75 F76 I140 | K18-L138 HydrophobicContact CB-CD1 4.17Å; V19-L138 HydrophobicContact CG2-CD2 4.08Å; F22-L138 HydrophobicContact CB-CD2 3.77Å; F22-L138 HydrophobicContact CD1-CB 4.28Å; F22-L138 HydrophobicContact CD1-CD2 4.3Å; F22-L138 HydrophobicContact CD2-CB 3.69Å; F22-L138 HydrophobicContact CD2-CD2 4.39Å; F22-L138 HydrophobicContact CE1-CB 4.34Å; F22-L138 HydrophobicContact CE2-CB 3.73Å; F22-L138 HydrophobicContact CG-CB 3.96Å; F22-L138 HydrophobicContact CG-CD2 3.93Å; F22-L138 HydrophobicContact CZ-CB 4.07Å; V74-L138 PolarHBondContact O-N 3.06Å; I75-L138 HydrophobicContact CG1-CD2 4.34Å; I75-L138 HydrophobicContact CG2-CD2 4.3Å; F76-L138 PolarHBondContact N-O 3.47Å; L138-I140 HydrophobicContact CD1-CD1 4.08Å; L138-I140 HydrophobicContact CD2-CD1 4.05Å; L138-I140 HydrophobicContact CD2-CG1 4.17Å; L138-I140 HydrophobicContact CG-CD1 3.95Å; L138-I140 HydrophobicContact CG-CG1 4.05Å |
| 139 | L | 98.5 | Very high | 95.9 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123 | 178.2 | -58.6 | -179 | 0 | 0 | 0 | 110 | F76 Y78 Y128 L137 | F76-L139 HydrophobicContact CB-CD2 3.93Å; F76-L139 HydrophobicContact CD1-CD2 3.95Å; F76-L139 HydrophobicContact CG-CD2 4.31Å; Y78-L139 HydrophobicContact CE1-CB 3.94Å; Y128-L139 HydrophobicContact CE2-CD1 4.49Å; L137-L139 HydrophobicContact CD1-CD2 3.98Å; L137-L139 HydrophobicContact CD2-CD2 4.01Å; L137-L139 HydrophobicContact CG-CD2 3.93Å; L137-L139 HydrophobicContact CG-CG 4.4Å |
| 140 | I | 98.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121.1 | 176.9 | -56.4 | -62.6 | 0 | 0 | 0 | 109.2 | V15 K18 V19 I75 F76 L77 Y78 L138 K151 | V15-I140 HydrophobicContact CG1-CD1 4.3Å; V15-I140 HydrophobicContact CG1-CG2 3.87Å; K18-I140 HydrophobicContact CB-CD1 4.49Å; V19-I140 HydrophobicContact CG2-CD1 4.02Å; V19-I140 HydrophobicContact CG2-CG1 4.15Å; I75-I140 HydrophobicContact CG2-CG1 4.29Å; F76-I140 PolarHBondContact O-N 3.37Å; L77-I140 CarbonylContact C-O 3.59Å; L77-I140 VanDerWaalsContact CA-O 3.32Å; L77-I140 WeakPolarHBondContact CA-O 3.4Å; L77-I140 HydrophobicContact CD1-CB 4.2Å; L77-I140 HydrophobicContact CD1-CG2 3.82Å; Y78-I140 VanDerWaalsContact CD1-O 3.24Å; Y78-I140 WeakPolarHBondContact CD1-O 3.48Å; Y78-I140 PolarHBondContact N-O 2.91Å; L138-I140 HydrophobicContact CD1-CD1 4.08Å; L138-I140 HydrophobicContact CD2-CD1 4.05Å; L138-I140 HydrophobicContact CD2-CG1 4.17Å; L138-I140 HydrophobicContact CG-CD1 3.95Å; L138-I140 HydrophobicContact CG-CG1 4.05Å; I140-K151 HydrophobicContact CG2-CD 4.22Å |
| 141 | E | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 40 Ų | 40 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 147 | -178.7 | -69.8 | 176.4 | -173.7 | 0 | 0 | 112.6 | Y78 R80 K151 | Y78-E141 HydrophobicContact CD1-CG 4.41Å; Y78-E141 HydrophobicContact CE1-CB 4.46Å; Y78-E141 HydrophobicContact CE1-CG 3.53Å; Y78-E141 HydrophobicContact CE2-CG 4.21Å; Y78-E141 VanDerWaalsContact CZ-CG 3.43Å; Y78-E141 CarbonylContact O-C 3.6Å; Y78-E141 WeakPolarHBondContact O-CA 3.36Å; Y78-E141 WeakPolarHBondContact OH-CG 3.43Å; Y78-E141 PolarHBondContact OH-OE1 2.92Å; R80-E141 IonicContact CZ-OE2 3.85Å; R80-E141 IonicContact NE-OE2 3.08Å; R80-E141 PolarHBondContact NE-OE2 2.98Å; R80-E141 IonicContact NH2-OE2 3.27Å; R80-E141 PolarHBondContact NH2-OE2 2.83Å; E141-K151 WeakPolarHBondContact O-CD 3.37Å; E141-K151 WeakPolarHBondContact O-CE 3.41Å; E141-K151 PolarHBondContact O-NZ 2.79Å |
| 142 | F | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163.4 | 158.2 | 69.9 | -93.3 | 0 | 0 | 0 | 110.1 | S39 T42 L77 Y78 R79 R80 E147 Y148 K151 A172 | S39-F142 WeakPolarHBondContact O-CE1 3.39Å; S39-F142 WeakPolarHBondContact O-CZ 3.11Å; T42-F142 HydrophobicContact CG2-CD2 4.26Å; T42-F142 HydrophobicContact CG2-CE2 3.66Å; T42-F142 HydrophobicContact CG2-CZ 4.38Å; L77-F142 HydrophobicContact CD1-CB 4.42Å; L77-F142 HydrophobicContact CD1-CD1 3.77Å; L77-F142 HydrophobicContact CG-CD1 3.76Å; L77-F142 HydrophobicContact CG-CE1 4.17Å; Y78-F142 VanDerWaalsContact CA-CE1 3.48Å; Y78-F142 VanDerWaalsContact O-CD1 3.29Å; Y78-F142 WeakPolarHBondContact O-CD1 3.44Å; Y78-F142 PolarHBondContact O-N 2.87Å; R79-F142 CarbonylContact C-O 3.53Å; R79-F142 VanDerWaalsContact CA-O 3.28Å; R79-F142 WeakPolarHBondContact CA-O 3.34Å; R79-F142 HydrophobicContact CB-CE2 3.99Å; R79-F142 HydrophobicContact CB-CZ 4Å; R80-F142 PolarHBondContact N-O 2.88Å; F142-E147 WeakPolarHBondContact CA-OE2 3.42Å; F142-E147 HydrophobicContact CB-CB 4.08Å; F142-Y148 HydrophobicContact CD1-CD2 4.01Å; F142-Y148 HydrophobicContact CD2-CD2 4.32Å; F142-Y148 AromaticContact CE1-CD2 3.75Å; F142-Y148 HydrophobicContact CE1-CD2 3.75Å; F142-Y148 HydrophobicContact CE1-CE2 4.37Å; F142-Y148 HydrophobicContact CE2-CD2 4.12Å; F142-Y148 HydrophobicContact CG-CD2 4.28Å; F142-Y148 AromaticContact CZ-CD2 3.82Å; F142-Y148 HydrophobicContact CZ-CD2 3.82Å; F142-Y148 HydrophobicContact CZ-CE2 4.46Å; F142-K151 HydrophobicContact CB-CD 4.38Å; F142-A172 HydrophobicContact CZ-CB 4.37Å |
| 143 | T | 95.2 | Very high | 95.5 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | trans | -126.7 | -54.5 | 171 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | M43 E147 | M43-T143 WeakPolarHBondContact CB-O 3.42Å; M43-T143 HydrophobicContact CE-CG2 3.9Å; M43-T143 PolarHBondContact N-O 2.8Å; T143-E147 PolarHBondContact N-OE2 2.9Å | ||
| 144 | T | 93.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 161.6 | -176.2 | 70 | 0 | 0 | 0 | 0 | 112.3 | Y9 M43 P45 G146 E147 Y148 | Y9-T144 WeakPolarHBondContact CE1-OG1 3.07Å; M43-T144 HydrophobicContact CE-CG2 3.83Å; M43-T144 CarbonylContact O-C 3.55Å; M43-T144 WeakPolarHBondContact O-CA 3.41Å; M43-T144 HydrophobicContact SD-CG2 4.27Å; P45-T144 HydrophobicContact CG-CG2 4.43Å; T144-G146 PolarHBondContact O-N 3.01Å; T144-G146 PolarHBondContact OG1-N 2.88Å; T144-E147 PolarHBondContact O-N 3.36Å; T144-E147 WeakPolarHBondContact OG1-CG 3.03Å; T144-E147 PolarHBondContact OG1-N 2.91Å; T144-Y148 WeakPolarHBondContact O-CB 3.49Å; T144-Y148 PolarHBondContact O-N 3.38Å |
| 145 | V | 92.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -36.4 | 169.9 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | T42 M43 V44 Y148 L149 V174 V203 | T42-V145 HydrophobicContact CG2-CB 4.45Å; M43-V145 PolarHBondContact O-N 3.17Å; V44-V145 HydrophobicContact CG2-CB 4.5Å; V44-V145 HydrophobicContact CG2-CG1 4Å; V145-Y148 WeakPolarHBondContact O-CB 3.3Å; V145-Y148 PolarHBondContact O-N 2.95Å; V145-L149 HydrophobicContact CG2-CD1 4.07Å; V145-L149 HydrophobicContact CG2-CG 4.29Å; V145-L149 WeakPolarHBondContact O-CG 3.05Å; V145-L149 PolarHBondContact O-N 3.3Å; V145-V174 HydrophobicContact CG2-CG1 4.05Å; V145-V203 HydrophobicContact CG2-CG1 4.26Å; V145-V203 HydrophobicContact CG2-CG2 4.12Å |
| 146 | G | 91.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 17 Ų | 17 | 10% | 0.103 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y9 T144 Y148 L149 A150 | Y9-G146 VanDerWaalsContact CD2-CA 3.43Å; T144-G146 PolarHBondContact O-N 3.01Å; T144-G146 PolarHBondContact OG1-N 2.88Å; G146-Y148 VanDerWaalsContact C-N 3.32Å; G146-Y148 PolarHBondContact O-N 2.76Å; G146-L149 PolarHBondContact O-N 2.82Å; G146-A150 WeakPolarHBondContact O-CB 3.34Å; G146-A150 PolarHBondContact O-N 3.45Å |
| 147 | E | 94.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 17.7 Ų | 17.7 | 22% | 0.22 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.6 | -74.4 | 174.3 | -157.6 | 0 | 0 | 111.6 | Y9 F142 T143 T144 K151 | Y9-E147 HydrophobicContact CD1-CG 3.97Å; Y9-E147 HydrophobicContact CE1-CG 4.39Å; F142-E147 WeakPolarHBondContact CA-OE2 3.42Å; F142-E147 HydrophobicContact CB-CB 4.08Å; T143-E147 PolarHBondContact N-OE2 2.9Å; T144-E147 PolarHBondContact O-N 3.36Å; T144-E147 WeakPolarHBondContact OG1-CG 3.03Å; T144-E147 PolarHBondContact OG1-N 2.91Å; E147-K151 VanDerWaalsContact O-CB 3.26Å; E147-K151 WeakPolarHBondContact O-CB 3.43Å; E147-K151 VanDerWaalsContact O-CG 3.29Å; E147-K151 WeakPolarHBondContact O-CG 3.34Å; E147-K151 PolarHBondContact O-N 3.11Å; E147-K151 IonicContact OE2-NZ 2.86Å |
| 148 | Y | 95.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -51.7 | 177.3 | 170.4 | -96.7 | 0 | 0 | 0 | 111.6 | T38 T42 L77 F142 T144 V145 G146 K151 L152 A172 V174 | T38-Y148 HydrophobicContact CG2-CE2 3.86Å; T42-Y148 HydrophobicContact CG2-CD1 4.17Å; T42-Y148 HydrophobicContact CG2-CD2 4.29Å; T42-Y148 HydrophobicContact CG2-CG 3.8Å; L77-Y148 HydrophobicContact CD2-CD2 4.21Å; L77-Y148 HydrophobicContact CD2-CE2 4.32Å; F142-Y148 HydrophobicContact CD1-CD2 4.01Å; F142-Y148 HydrophobicContact CD2-CD2 4.32Å; F142-Y148 AromaticContact CE1-CD2 3.75Å; F142-Y148 HydrophobicContact CE1-CD2 3.75Å; F142-Y148 HydrophobicContact CE1-CE2 4.37Å; F142-Y148 HydrophobicContact CE2-CD2 4.12Å; F142-Y148 HydrophobicContact CG-CD2 4.28Å; F142-Y148 AromaticContact CZ-CD2 3.82Å; F142-Y148 HydrophobicContact CZ-CD2 3.82Å; F142-Y148 HydrophobicContact CZ-CE2 4.46Å; T144-Y148 WeakPolarHBondContact O-CB 3.49Å; T144-Y148 PolarHBondContact O-N 3.38Å; V145-Y148 WeakPolarHBondContact O-CB 3.3Å; V145-Y148 PolarHBondContact O-N 2.95Å; G146-Y148 VanDerWaalsContact C-N 3.32Å; G146-Y148 PolarHBondContact O-N 2.76Å; Y148-K151 PolarHBondContact O-N 3.17Å; Y148-L152 HydrophobicContact CE1-CD2 3.74Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 PolarHBondContact O-N 2.95Å; Y148-A172 HydrophobicContact CD2-CB 4.44Å; Y148-A172 HydrophobicContact CE2-CB 3.67Å; Y148-V174 HydrophobicContact CD1-CG1 4.04Å; Y148-V174 HydrophobicContact CD1-CG2 4.05Å; Y148-V174 HydrophobicContact CE1-CB 4.27Å; Y148-V174 HydrophobicContact CE1-CG1 3.88Å; Y148-V174 HydrophobicContact CE1-CG2 3.3Å; Y148-V174 HydrophobicContact CE2-CG2 4.32Å; Y148-V174 VanDerWaalsContact CZ-CG2 3.46Å; Y148-V174 WeakPolarHBondContact OH-CG2 3.33Å |
| 149 | L | 93.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 18.1 Ų | 18.1 | 10% | 0.099 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | -177.1 | -64.4 | 168.7 | 0 | 0 | 0 | 111.5 | V145 G146 A153 V203 M206 | V145-L149 HydrophobicContact CG2-CD1 4.07Å; V145-L149 HydrophobicContact CG2-CG 4.29Å; V145-L149 WeakPolarHBondContact O-CG 3.05Å; V145-L149 PolarHBondContact O-N 3.3Å; G146-L149 PolarHBondContact O-N 2.82Å; L149-A153 VanDerWaalsContact O-CB 3.31Å; L149-A153 WeakPolarHBondContact O-CB 3.39Å; L149-A153 PolarHBondContact O-N 2.79Å; L149-V203 HydrophobicContact CD1-CG1 3.89Å; L149-V203 HydrophobicContact CD2-CG1 4.43Å; L149-M206 HydrophobicContact CD2-CB 4.23Å; L149-M206 HydrophobicContact CD2-CG 3.48Å; L149-M206 VanDerWaalsContact CD2-CG 3.48Å |
| 150 | A | 93.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 G146 A153 Y154 | I11-A150 HydrophobicContact CD1-CB 4.31Å; I11-A150 WeakPolarHBondContact CD1-O 3.2Å; I11-A150 HydrophobicContact CG1-CB 3.94Å; G146-A150 WeakPolarHBondContact O-CB 3.34Å; G146-A150 PolarHBondContact O-N 3.45Å; A150-A153 PolarHBondContact O-N 3.45Å; A150-Y154 WeakPolarHBondContact O-CB 3.21Å; A150-Y154 PolarHBondContact O-N 3.45Å |
| 151 | K | 96.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 179.4 | -71.4 | 169.3 | 177.8 | 170 | 0 | 111.4 | I11 E12 L77 I140 E141 F142 E147 Y148 Y154 I155 | I11-K151 HydrophobicContact CG1-CG 4.5Å; I11-K151 HydrophobicContact CG2-CG 4.42Å; E12-K151 IonicContact OE1-NZ 3.17Å; E12-K151 PolarHBondContact OE1-NZ 2.92Å; E12-K151 WeakPolarHBondContact OE2-CE 3.18Å; E12-K151 IonicContact OE2-NZ 3.48Å; E12-K151 PolarHBondContact OE2-NZ 3.44Å; E12-K151 VanDerWaalsContact OE2-NZ 3.17Å; L77-K151 HydrophobicContact CD1-CB 3.84Å; L77-K151 HydrophobicContact CD1-CD 4.24Å; L77-K151 HydrophobicContact CD2-CB 4.25Å; I140-K151 HydrophobicContact CG2-CD 4.22Å; E141-K151 WeakPolarHBondContact O-CD 3.37Å; E141-K151 WeakPolarHBondContact O-CE 3.41Å; E141-K151 PolarHBondContact O-NZ 2.79Å; F142-K151 HydrophobicContact CB-CD 4.38Å; E147-K151 VanDerWaalsContact O-CB 3.26Å; E147-K151 WeakPolarHBondContact O-CB 3.43Å; E147-K151 VanDerWaalsContact O-CG 3.29Å; E147-K151 WeakPolarHBondContact O-CG 3.34Å; E147-K151 PolarHBondContact O-N 3.11Å; E147-K151 IonicContact OE2-NZ 2.86Å; Y148-K151 PolarHBondContact O-N 3.17Å; K151-Y154 PolarHBondContact O-N 2.91Å; K151-I155 WeakPolarHBondContact O-CB 3.35Å; K151-I155 WeakPolarHBondContact O-CD1 3.48Å; K151-I155 WeakPolarHBondContact O-CG1 3.3Å; K151-I155 PolarHBondContact O-N 3.17Å |
| 152 | L | 96.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 174.5 | 176.4 | 59.7 | 0 | 0 | 0 | 111.9 | L36 T38 L77 Y148 Y154 S156 L170 L210 | L36-L152 HydrophobicContact CD2-CD1 3.62Å; T38-L152 HydrophobicContact CG2-CD1 4.19Å; L77-L152 HydrophobicContact CD2-CB 4.13Å; Y148-L152 HydrophobicContact CE1-CD2 3.74Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 PolarHBondContact O-N 2.95Å; L152-Y154 PolarHBondContact O-N 2.99Å; L152-S156 VanDerWaalsContact O-CB 3.23Å; L152-S156 WeakPolarHBondContact O-CB 3.28Å; L152-S156 PolarHBondContact O-N 3.31Å; L152-S156 PolarHBondContact O-OG 3.12Å; L152-L170 HydrophobicContact CD1-CD2 3.94Å; L152-L210 HydrophobicContact CD1-CD1 4.31Å; L152-L210 HydrophobicContact CD2-CD1 3.77Å; L152-L210 HydrophobicContact CG-CD1 4.01Å; L152-L210 HydrophobicContact CG-CD2 4.45Å |
| 153 | A | 94.4 | Very high | 95 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W5 L149 A150 R157 M206 | W5-A153 HydrophobicContact CB-CB 4.49Å; L149-A153 VanDerWaalsContact O-CB 3.31Å; L149-A153 WeakPolarHBondContact O-CB 3.39Å; L149-A153 PolarHBondContact O-N 2.79Å; A150-A153 PolarHBondContact O-N 3.45Å; A153-R157 WeakPolarHBondContact O-CG 3.3Å; A153-R157 PolarHBondContact O-N 3.41Å; A153-R157 VanDerWaalsContact O-N 3.12Å; A153-M206 HydrophobicContact CB-CE 3.66Å |
| 154 | Y | 95.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 23.8 Ų | 23.8 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -50.8 | 180 | 174.8 | -103.5 | 0 | 0 | 0 | 112.4 | I11 R16 V19 A150 K151 L152 S156 R157 Q158 | I11-Y154 HydrophobicContact CD1-CD1 4.23Å; I11-Y154 HydrophobicContact CD1-CD2 4.35Å; I11-Y154 HydrophobicContact CD1-CG 3.69Å; R16-Y154 WeakPolarHBondContact CA-OH 3.31Å; R16-Y154 HydrophobicContact CB-CE1 4.14Å; R16-Y154 WeakPolarHBondContact CB-OH 3.32Å; R16-Y154 HydrophobicContact CG-CE1 3.95Å; R16-Y154 HydrophobicContact CG-CE2 4.24Å; R16-Y154 VanDerWaalsContact NH1-CD2 3.26Å; R16-Y154 PolarHBondContact O-OH 3.34Å; V19-Y154 HydrophobicContact CB-CE1 4.07Å; V19-Y154 HydrophobicContact CG1-CE1 4.05Å; A150-Y154 WeakPolarHBondContact O-CB 3.21Å; A150-Y154 PolarHBondContact O-N 3.45Å; K151-Y154 PolarHBondContact O-N 2.91Å; L152-Y154 PolarHBondContact O-N 2.99Å; Y154-S156 VanDerWaalsContact C-N 3.31Å; Y154-S156 PolarHBondContact O-N 3.21Å; Y154-R157 WeakPolarHBondContact O-CB 3.28Å; Y154-R157 PolarHBondContact O-N 2.95Å; Y154-Q158 HydrophobicContact CE1-CG 4.23Å; Y154-Q158 HydrophobicContact CE2-CG 4.4Å; Y154-Q158 WeakPolarHBondContact O-CG 3.3Å; Y154-Q158 PolarHBondContact O-N 3.32Å |
| 155 | I | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 179 | -64.7 | 162.9 | 0 | 0 | 0 | 109.7 | V19 L36 I75 L77 K151 R157 Q158 L159 | V19-I155 HydrophobicContact CG1-CG1 4.04Å; V19-I155 HydrophobicContact CG2-CD1 4.4Å; V19-I155 HydrophobicContact CG2-CG1 3.93Å; L36-I155 HydrophobicContact CD1-CD1 4.39Å; L36-I155 HydrophobicContact CD1-CG2 4.04Å; L36-I155 HydrophobicContact CD2-CB 4.28Å; L36-I155 HydrophobicContact CD2-CG2 3.89Å; L36-I155 HydrophobicContact CG-CG2 4.41Å; I75-I155 HydrophobicContact CD1-CG2 3.79Å; I75-I155 HydrophobicContact CG2-CD1 4.08Å; I75-I155 HydrophobicContact CG2-CG2 4.1Å; L77-I155 HydrophobicContact CB-CD1 4.47Å; L77-I155 HydrophobicContact CD1-CD1 4.39Å; L77-I155 HydrophobicContact CD2-CD1 4.36Å; K151-I155 WeakPolarHBondContact O-CB 3.35Å; K151-I155 WeakPolarHBondContact O-CD1 3.48Å; K151-I155 WeakPolarHBondContact O-CG1 3.3Å; K151-I155 PolarHBondContact O-N 3.17Å; I155-R157 VanDerWaalsContact C-N 3.29Å; I155-R157 PolarHBondContact O-N 3Å; I155-Q158 WeakPolarHBondContact O-CA 3.42Å; I155-Q158 WeakPolarHBondContact O-CB 3.48Å; I155-Q158 PolarHBondContact O-N 3.15Å; I155-L159 HydrophobicContact CG2-CD1 4.31Å; I155-L159 HydrophobicContact CG2-CG 4.33Å; I155-L159 WeakPolarHBondContact O-CG 3.38Å; I155-L159 PolarHBondContact O-N 3.44Å |
| 156 | S | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 179.7 | -55.3 | 0 | 0 | 0 | 0 | 112 | L152 Y154 Q158 L159 T160 L210 V215 | L152-S156 VanDerWaalsContact O-CB 3.23Å; L152-S156 WeakPolarHBondContact O-CB 3.28Å; L152-S156 PolarHBondContact O-N 3.31Å; L152-S156 PolarHBondContact O-OG 3.12Å; Y154-S156 VanDerWaalsContact C-N 3.31Å; Y154-S156 PolarHBondContact O-N 3.21Å; S156-Q158 VanDerWaalsContact C-N 3.32Å; S156-Q158 PolarHBondContact O-N 3.46Å; S156-L159 PolarHBondContact O-N 3.1Å; S156-L159 VanDerWaalsContact O-N 3.15Å; S156-T160 PolarHBondContact O-N 2.68Å; S156-L210 WeakPolarHBondContact OG-CD2 3.43Å; S156-V215 WeakPolarHBondContact O-CG1 3.48Å |
| 157 | R | 96.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 23% | 0.234 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 172.6 | -77.3 | -177.6 | -171.2 | 115 | -20.9 | 112.7 | S2 E6 A153 Y154 I155 L159 T160 I214 | S2-R157 PolarHBondContact OG-NH2 3.34Å; E6-R157 IonicContact OE1-CZ 3.25Å; E6-R157 IonicContact OE1-NH1 3.93Å; E6-R157 PolarHBondContact OE1-NH1 2.86Å; E6-R157 IonicContact OE1-NH2 2.93Å; E6-R157 PolarHBondContact OE1-NH2 3.28Å; A153-R157 WeakPolarHBondContact O-CG 3.3Å; A153-R157 PolarHBondContact O-N 3.41Å; A153-R157 VanDerWaalsContact O-N 3.12Å; Y154-R157 WeakPolarHBondContact O-CB 3.28Å; Y154-R157 PolarHBondContact O-N 2.95Å; I155-R157 VanDerWaalsContact C-N 3.29Å; I155-R157 PolarHBondContact O-N 3Å; R157-L159 VanDerWaalsContact C-N 3.28Å; R157-L159 PolarHBondContact O-N 3.36Å; R157-T160 WeakPolarHBondContact O-CB 3.37Å; R157-T160 VanDerWaalsContact O-CG2 3.3Å; R157-T160 WeakPolarHBondContact O-CG2 3.41Å; R157-T160 PolarHBondContact O-N 3.35Å; R157-T160 PolarHBondContact O-OG1 2.94Å; R157-I214 HydrophobicContact CB-CG2 4.29Å; R157-I214 HydrophobicContact CG-CG2 3.57Å |
| 158 | Q | 96.6 | Very high | 96 | Very high | 40 Ų | 40 | 23.1 Ų | 23.1 | 19% | 0.187 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.2 | -31.7 | 175.7 | -58.3 | -60.2 | -72.9 | 0 | 0 | 111.9 | V19 V23 Y154 I155 S156 T160 H161 | V19-Q158 HydrophobicContact CG1-CB 4.3Å; V19-Q158 HydrophobicContact CG1-CG 4Å; V23-Q158 HydrophobicContact CG1-CB 4.44Å; V23-Q158 HydrophobicContact CG2-CB 4.01Å; Y154-Q158 HydrophobicContact CE1-CG 4.23Å; Y154-Q158 HydrophobicContact CE2-CG 4.4Å; Y154-Q158 WeakPolarHBondContact O-CG 3.3Å; Y154-Q158 PolarHBondContact O-N 3.32Å; I155-Q158 WeakPolarHBondContact O-CA 3.42Å; I155-Q158 WeakPolarHBondContact O-CB 3.48Å; I155-Q158 PolarHBondContact O-N 3.15Å; S156-Q158 VanDerWaalsContact C-N 3.32Å; S156-Q158 PolarHBondContact O-N 3.46Å; Q158-T160 PolarHBondContact O-N 3.07Å; Q158-H161 PolarHBondContact O-CD2 2.75Å; Q158-H161 VanDerWaalsContact O-CD2 3.27Å |
| 159 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74.4 | -10.5 | 178.1 | -64.1 | -173.7 | 0 | 0 | 0 | 114.1 | V23 I34 L36 I75 I155 S156 R157 H161 F162 A166 L168 | V23-L159 HydrophobicContact CG2-CD2 4.2Å; I34-L159 HydrophobicContact CD1-CD2 3.71Å; I34-L159 HydrophobicContact CG1-CD2 4.09Å; I34-L159 HydrophobicContact CG2-CD2 3.84Å; L36-L159 HydrophobicContact CB-CD1 3.69Å; I75-L159 HydrophobicContact CD1-CD2 4.14Å; I155-L159 HydrophobicContact CG2-CD1 4.31Å; I155-L159 HydrophobicContact CG2-CG 4.33Å; I155-L159 WeakPolarHBondContact O-CG 3.38Å; I155-L159 PolarHBondContact O-N 3.44Å; S156-L159 PolarHBondContact O-N 3.1Å; S156-L159 VanDerWaalsContact O-N 3.15Å; R157-L159 VanDerWaalsContact C-N 3.28Å; R157-L159 PolarHBondContact O-N 3.36Å; L159-H161 PolarHBondContact O-N 3.4Å; L159-F162 HydrophobicContact CD2-CD2 4.17Å; L159-F162 HydrophobicContact CD2-CE2 4.25Å; L159-F162 PolarHBondContact O-N 3.16Å; L159-A166 HydrophobicContact CB-CB 4.19Å; L159-L168 HydrophobicContact CD1-CD1 4.35Å |
| 160 | T | 95.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 22.8 Ų | 22.8 | 36% | 0.356 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -57.5 | -31.8 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | S156 R157 Q158 F162 G163 I214 V215 | S156-T160 PolarHBondContact O-N 2.68Å; R157-T160 WeakPolarHBondContact O-CB 3.37Å; R157-T160 VanDerWaalsContact O-CG2 3.3Å; R157-T160 WeakPolarHBondContact O-CG2 3.41Å; R157-T160 PolarHBondContact O-N 3.35Å; R157-T160 PolarHBondContact O-OG1 2.94Å; Q158-T160 PolarHBondContact O-N 3.07Å; T160-F162 PolarHBondContact O-N 3.11Å; T160-F162 VanDerWaalsContact O-N 3.15Å; T160-G163 PolarHBondContact O-N 3.02Å; T160-I214 HydrophobicContact CG2-CG2 4.21Å; T160-I214 WeakPolarHBondContact CG2-O 3.29Å; T160-V215 HydrophobicContact CG2-CG1 4.09Å |
| 161 | H | 93.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 23.4 Ų | 23.4 | 58% | 0.583 | 11% | 0.111 | S | C | * | . | G | 310 helix | trans | -63.5 | -17.1 | 177.5 | -60.1 | -56.9 | 0 | 0 | 0 | 114.4 | L27 Q158 L159 | L27-H161 HydrophobicContact CD1-CB 3.78Å; L27-H161 HydrophobicContact CD2-CB 3.71Å; L27-H161 HydrophobicContact CG-CB 4.39Å; Q158-H161 PolarHBondContact O-CD2 2.75Å; Q158-H161 VanDerWaalsContact O-CD2 3.27Å; L159-H161 PolarHBondContact O-N 3.4Å |
| 162 | F | 95.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.044 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -89.5 | -13.3 | 176.3 | -72.5 | -93.8 | 0 | 0 | 0 | 113 | V23 H26 L27 I34 L159 T160 R164 R165 A166 | V23-F162 HydrophobicContact CG1-CE2 4.01Å; H26-F162 HydrophobicContact CB-CE1 4.22Å; H26-F162 HydrophobicContact CB-CZ 3.88Å; L27-F162 HydrophobicContact CB-CZ 4.5Å; L27-F162 HydrophobicContact CD2-CD1 4.05Å; L27-F162 HydrophobicContact CD2-CD2 3.73Å; L27-F162 HydrophobicContact CD2-CE1 3.91Å; L27-F162 HydrophobicContact CD2-CE2 3.61Å; L27-F162 HydrophobicContact CD2-CG 3.96Å; L27-F162 HydrophobicContact CD2-CZ 3.69Å; L27-F162 HydrophobicContact CG-CD2 4.34Å; L27-F162 HydrophobicContact CG-CE1 4.32Å; L27-F162 HydrophobicContact CG-CE2 3.73Å; L27-F162 HydrophobicContact CG-CZ 3.7Å; I34-F162 HydrophobicContact CB-CD1 4.32Å; I34-F162 HydrophobicContact CB-CE1 4.14Å; I34-F162 HydrophobicContact CB-CZ 4.27Å; I34-F162 HydrophobicContact CD1-CE2 4.01Å; I34-F162 HydrophobicContact CD1-CZ 3.94Å; I34-F162 HydrophobicContact CG2-CB 4.06Å; I34-F162 HydrophobicContact CG2-CD1 3.56Å; I34-F162 HydrophobicContact CG2-CD2 3.64Å; I34-F162 HydrophobicContact CG2-CE1 3.8Å; I34-F162 HydrophobicContact CG2-CE2 3.86Å; I34-F162 HydrophobicContact CG2-CG 3.48Å; I34-F162 VanDerWaalsContact CG2-CG 3.48Å; I34-F162 HydrophobicContact CG2-CZ 3.95Å; L159-F162 HydrophobicContact CD2-CD2 4.17Å; L159-F162 HydrophobicContact CD2-CE2 4.25Å; L159-F162 PolarHBondContact O-N 3.16Å; T160-F162 PolarHBondContact O-N 3.11Å; T160-F162 VanDerWaalsContact O-N 3.15Å; F162-R164 PolarHBondContact O-N 2.82Å; F162-R165 HydrophobicContact CB-CB 4.12Å; F162-R165 HydrophobicContact CD1-CB 4.36Å; F162-R165 VanDerWaalsContact O-CB 3.28Å; F162-R165 WeakPolarHBondContact O-CB 3.28Å; F162-R165 PolarHBondContact O-N 3.05Å; F162-A166 HydrophobicContact CB-CB 4Å |
| 163 | G | 94.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | 51 | -127.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T160 R165 A166 E217 | T160-G163 PolarHBondContact O-N 3.02Å; G163-R165 PolarHBondContact O-N 3.14Å; G163-R165 VanDerWaalsContact O-N 3.15Å; G163-A166 WeakPolarHBondContact O-CB 3.33Å; G163-A166 PolarHBondContact O-N 3.19Å; G163-A166 VanDerWaalsContact O-N 3.1Å; G163-E217 WeakPolarHBondContact CA-OE2 3.41Å |
| 164 | R | 95.7 | Very high | 96.3 | Very high | 52 Ų | 52 | 26.8 Ų | 26.8 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -60.7 | -19.8 | 176.8 | -64.8 | -168.6 | 170.6 | 99.7 | -11 | 115.2 | F162 A166 E217 H364 H367 M368 V370 T372 | F162-R164 PolarHBondContact O-N 2.82Å; R164-A166 PolarHBondContact O-N 2.83Å; R164-E217 WeakPolarHBondContact CA-O 3.27Å; R164-E217 HydrophobicContact CG-CB 4.14Å; R164-H364 PolarHBondContact O-NE2 2.8Å; R164-H367 WeakPolarHBondContact CD-O 3.33Å; R164-M368 HydrophobicContact CB-CG 4.31Å; R164-M368 VanDerWaalsContact O-CG 3.25Å; R164-M368 WeakPolarHBondContact O-CG 3.08Å; R164-V370 PolarHBondContact NH1-O 2.77Å; R164-V370 PolarHBondContact NH2-O 3.16Å; R164-T372 VanDerWaalsContact CZ-CG2 3.49Å; R164-T372 VanDerWaalsContact NH1-CG2 3.29Å; R164-T372 PolarHBondContact NH1-OG1 2.94Å |
| 165 | R | 96.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 25.7 Ų | 25.7 | 22% | 0.219 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -73.8 | -11.7 | 176.4 | -66.9 | 165.6 | 50.2 | -178.1 | -4.2 | 113.2 | R29 Q32 I34 F162 G163 M368 | R29-R165 PolarHBondContact O-NH2 3.35Å; Q32-R165 PolarHBondContact O-NE 3.45Å; Q32-R165 PolarHBondContact O-NH2 3.4Å; I34-R165 PolarHBondContact N-O 2.77Å; I34-R165 VanDerWaalsContact N-O 3.16Å; F162-R165 HydrophobicContact CB-CB 4.12Å; F162-R165 HydrophobicContact CD1-CB 4.36Å; F162-R165 VanDerWaalsContact O-CB 3.28Å; F162-R165 WeakPolarHBondContact O-CB 3.28Å; F162-R165 PolarHBondContact O-N 3.05Å; G163-R165 PolarHBondContact O-N 3.14Å; G163-R165 VanDerWaalsContact O-N 3.15Å; R165-M368 HydrophobicContact CB-SD 4.29Å; R165-M368 HydrophobicContact CG-SD 4.02Å |
| 166 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I34 L159 F162 G163 R164 A218 F219 H364 | I34-A166 HydrophobicContact CG2-CB 4.45Å; L159-A166 HydrophobicContact CB-CB 4.19Å; F162-A166 HydrophobicContact CB-CB 4Å; G163-A166 WeakPolarHBondContact O-CB 3.33Å; G163-A166 PolarHBondContact O-N 3.19Å; G163-A166 VanDerWaalsContact O-N 3.1Å; R164-A166 PolarHBondContact O-N 2.83Å; A166-A218 HydrophobicContact CB-CB 3.78Å; A166-A218 WeakPolarHBondContact O-CA 3.48Å; A166-A218 WeakPolarHBondContact O-CB 3.44Å; A166-F219 PolarHBondContact O-N 3.42Å; A166-H364 PolarHBondContact O-NE2 3.25Å |
| 167 | L | 98.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.1 | 170.8 | 174.7 | 62.9 | 0 | 0 | 0 | 109.1 | I34 V35 L36 Y72 F219 V221 L360 | I34-L167 PolarHBondContact O-N 3.34Å; V35-L167 CarbonylContact C-O 3.55Å; V35-L167 VanDerWaalsContact CA-O 3.23Å; V35-L167 WeakPolarHBondContact CA-O 3.39Å; V35-L167 HydrophobicContact CB-CB 4.05Å; V35-L167 HydrophobicContact CB-CD2 4.12Å; V35-L167 HydrophobicContact CB-CG 4.23Å; V35-L167 HydrophobicContact CG2-CB 3.96Å; V35-L167 HydrophobicContact CG2-CD2 3.74Å; V35-L167 HydrophobicContact CG2-CG 3.67Å; L36-L167 PolarHBondContact N-O 3.05Å; Y72-L167 HydrophobicContact CD2-CD2 4.29Å; Y72-L167 HydrophobicContact CE2-CB 4.35Å; Y72-L167 HydrophobicContact CE2-CD2 3.95Å; L167-F219 CarbonylContact C-O 3.52Å; L167-F219 WeakPolarHBondContact CA-O 3.37Å; L167-F219 HydrophobicContact CD1-CB 3.96Å; L167-F219 HydrophobicContact CD1-CD1 3.46Å; L167-F219 VanDerWaalsContact CD1-CD1 3.46Å; L167-F219 HydrophobicContact CD1-CE1 4.42Å; L167-F219 HydrophobicContact CD1-CG 4.15Å; L167-F219 WeakPolarHBondContact CD1-O 3.33Å; L167-V221 HydrophobicContact CD1-CG2 3.99Å; L167-L360 HydrophobicContact CD1-CD1 4.11Å; L167-L360 HydrophobicContact CD2-CD2 3.99Å; L167-L360 HydrophobicContact CD2-CG 4.11Å |
| 168 | L | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.7 | 169.8 | -81.2 | 69.8 | 0 | 0 | 0 | 108.4 | L36 L159 L170 V215 A218 F219 V220 V221 | L36-L168 HydrophobicContact CB-CG 4.41Å; L36-L168 HydrophobicContact CD2-CG 4.46Å; L159-L168 HydrophobicContact CD1-CD1 4.35Å; L168-L170 HydrophobicContact CB-CD2 4.19Å; L168-L170 HydrophobicContact CB-CG 4.35Å; L168-L170 HydrophobicContact CD2-CD2 4.45Å; L168-V215 HydrophobicContact CD1-CG1 4.36Å; L168-V215 HydrophobicContact CD1-CG2 4.15Å; L168-V215 HydrophobicContact CD2-CG2 3.82Å; L168-A218 HydrophobicContact CD1-CB 4Å; L168-F219 PolarHBondContact N-O 2.75Å; L168-V220 HydrophobicContact CB-CG1 4.27Å; L168-V220 HydrophobicContact CB-CG2 4.28Å; L168-V220 HydrophobicContact CD2-CG2 4.47Å; L168-V221 PolarHBondContact O-N 3.35Å |
| 169 | Y | 98.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 93.4 | 177.3 | -175.3 | -88.6 | 0 | 0 | 0 | 109.2 | L36 I37 T38 S66 A171 V221 F223 I317 I356 L360 | L36-Y169 PolarHBondContact O-N 3.06Å; I37-Y169 WeakPolarHBondContact CA-O 3.27Å; I37-Y169 HydrophobicContact CG1-CD1 4.38Å; I37-Y169 HydrophobicContact CG2-CD1 3.97Å; T38-Y169 PolarHBondContact N-O 2.9Å; S66-Y169 PolarHBondContact OG-OH 3.42Å; Y169-A171 HydrophobicContact CD1-CB 3.85Å; Y169-A171 HydrophobicContact CE1-CB 3.56Å; Y169-A171 PolarHBondContact O-N 2.96Å; Y169-V221 HydrophobicContact CD2-CB 4.45Å; Y169-V221 HydrophobicContact CD2-CG1 4.39Å; Y169-F223 HydrophobicContact CD1-CE2 4.05Å; Y169-F223 HydrophobicContact CD2-CE2 4.05Å; Y169-F223 HydrophobicContact CD2-CZ 4.35Å; Y169-F223 AromaticContact CE1-CE2 3.67Å; Y169-F223 HydrophobicContact CE1-CE2 3.67Å; Y169-F223 AromaticContact CE1-CZ 3.82Å; Y169-F223 HydrophobicContact CE1-CZ 3.82Å; Y169-F223 AromaticContact CE2-CE2 3.68Å; Y169-F223 HydrophobicContact CE2-CE2 3.68Å; Y169-F223 AromaticContact CE2-CZ 3.53Å; Y169-F223 HydrophobicContact CE2-CZ 3.53Å; Y169-F223 HydrophobicContact CG-CE2 4.27Å; Y169-F223 AromaticContact CZ-CE2 3.5Å; Y169-F223 VanDerWaalsContact CZ-CE2 3.5Å; Y169-F223 AromaticContact CZ-CZ 3.24Å; Y169-F223 WeakPolarHBondContact OH-CZ 3.41Å; Y169-I317 HydrophobicContact CE2-CD1 4.2Å; Y169-I356 HydrophobicContact CE2-CG2 4.31Å; Y169-L360 HydrophobicContact CD2-CD2 3.39Å; Y169-L360 HydrophobicContact CE2-CD2 3.69Å; Y169-L360 HydrophobicContact CG-CD2 4.48Å |
| 170 | L | 97.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 72.9 | -166.6 | -54.4 | 179 | 0 | 0 | 0 | 112 | T38 L152 L168 L207 L210 V220 V221 F223 | T38-L170 HydrophobicContact CG2-CD2 3.83Å; T38-L170 VanDerWaalsContact OG1-CA 3.28Å; T38-L170 WeakPolarHBondContact OG1-CA 3.29Å; L152-L170 HydrophobicContact CD1-CD2 3.94Å; L168-L170 HydrophobicContact CB-CD2 4.19Å; L168-L170 HydrophobicContact CB-CG 4.35Å; L168-L170 HydrophobicContact CD2-CD2 4.45Å; L170-L207 HydrophobicContact CD1-CD1 3.69Å; L170-L210 HydrophobicContact CD1-CD1 4.44Å; L170-V220 HydrophobicContact CD1-CG1 4.16Å; L170-V221 WeakPolarHBondContact CB-O 3.27Å; L170-V221 PolarHBondContact N-O 3.36Å; L170-F223 WeakPolarHBondContact O-CD2 3.46Å |
| 171 | A | 97.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 12% | 0.124 | 16% | 0.163 | C | C | . | . | trans | -96.7 | 7.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | T38 Y169 F223 | T38-A171 CarbonylContact O-C 3.5Å; T38-A171 VanDerWaalsContact O-C 3.32Å; T38-A171 WeakPolarHBondContact O-CA 3.26Å; T38-A171 WeakPolarHBondContact O-CB 3.1Å; T38-A171 PolarHBondContact O-N 2.9Å; T38-A171 PolarHBondContact OG1-N 3.01Å; T38-A171 VanDerWaalsContact OG1-N 3.14Å; Y169-A171 HydrophobicContact CD1-CB 3.85Å; Y169-A171 HydrophobicContact CE1-CB 3.56Å; Y169-A171 PolarHBondContact O-N 2.96Å; A171-F223 HydrophobicContact CB-CD2 3.72Å; A171-F223 HydrophobicContact CB-CE2 3.71Å; A171-F223 HydrophobicContact CB-CG 4.38Å; A171-F223 HydrophobicContact CB-CZ 4.36Å | ||
| 172 | A | 96.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -69.6 | 143 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | T38 G40 F142 Y148 V174 | T38-A172 PolarHBondContact O-N 2.87Å; T38-A172 WeakPolarHBondContact OG1-CB 3.49Å; T38-A172 PolarHBondContact OG1-N 3.27Å; G40-A172 CarbonylContact O-C 3.43Å; G40-A172 VanDerWaalsContact O-CA 3.3Å; G40-A172 WeakPolarHBondContact O-CA 3.45Å; G40-A172 WeakPolarHBondContact O-CB 3.42Å; F142-A172 HydrophobicContact CZ-CB 4.37Å; Y148-A172 HydrophobicContact CD2-CB 4.44Å; Y148-A172 HydrophobicContact CE2-CB 3.67Å; A172-V174 HydrophobicContact CB-CG2 4.22Å; A172-V174 PolarHBondContact O-N 3.19Å |
| 173 | A | 93.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 38 Ų | 38 | 21% | 0.207 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -85.1 | 90.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | G40 T42 N56 | G40-A173 PolarHBondContact O-N 3.14Å; T42-A173 PolarHBondContact N-O 2.84Å; T42-A173 PolarHBondContact OG1-O 3.24Å; N56-A173 HydrophobicContact CB-CB 4.07Å; N56-A173 WeakPolarHBondContact CB-O 3.47Å |
| 174 | V | 93.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 38 Ų | 38 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | trans | -84.9 | 133.4 | -176.1 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | T42 N56 V145 Y148 A172 | T42-V174 HydrophobicContact CG2-CG1 4.42Å; T42-V174 WeakPolarHBondContact OG1-CA 3.49Å; N56-V174 PolarHBondContact ND2-O 3.47Å; V145-V174 HydrophobicContact CG2-CG1 4.05Å; Y148-V174 HydrophobicContact CD1-CG1 4.04Å; Y148-V174 HydrophobicContact CD1-CG2 4.05Å; Y148-V174 HydrophobicContact CE1-CB 4.27Å; Y148-V174 HydrophobicContact CE1-CG1 3.88Å; Y148-V174 HydrophobicContact CE1-CG2 3.3Å; Y148-V174 HydrophobicContact CE2-CG2 4.32Å; Y148-V174 VanDerWaalsContact CZ-CG2 3.46Å; Y148-V174 WeakPolarHBondContact OH-CG2 3.33Å; A172-V174 HydrophobicContact CB-CG2 4.22Å; A172-V174 PolarHBondContact O-N 3.19Å | ||
| 175 | S | 90.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -62.6 | 135.5 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111 | T42 N56 F177 V203 | T42-S175 PolarHBondContact O-OG 2.74Å; T42-S175 PolarHBondContact OG1-N 3.36Å; T42-S175 PolarHBondContact OG1-OG 2.86Å; N56-S175 WeakPolarHBondContact OD1-CA 3.4Å; N56-S175 WeakPolarHBondContact OD1-CB 3.49Å; N56-S175 PolarHBondContact OD1-OG 3.29Å; S175-F177 VanDerWaalsContact C-N 3.35Å; S175-V203 WeakPolarHBondContact O-CB 3.31Å; S175-V203 VanDerWaalsContact O-CG2 3.26Å; S175-V203 WeakPolarHBondContact O-CG2 3.38Å | ||
| 176 | D | 86.7 | Confident | 91.1 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 41% | 0.412 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -82.5 | -18.7 | 176.1 | -75.4 | -62.1 | 0 | 0 | 0 | 112.8 | L202 V203 K205 | D176-L202 WeakPolarHBondContact O-CA 3.16Å; D176-V203 PolarHBondContact O-N 3.41Å; D176-K205 IonicContact OD1-NZ 2.6Å; D176-K205 PolarHBondContact OD1-NZ 2.84Å |
| 177 | F | 88.8 | Confident | 90.6 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.1 | -177.4 | -55.5 | -81.8 | 0 | 0 | 0 | 111 | V44 S175 L200 K201 L202 | V44-F177 VanDerWaalsContact CG2-O 3.28Å; V44-F177 WeakPolarHBondContact CG2-O 3.46Å; S175-F177 VanDerWaalsContact C-N 3.35Å; F177-L200 HydrophobicContact CB-CB 3.83Å; F177-L200 HydrophobicContact CB-CD1 3.91Å; F177-L200 HydrophobicContact CB-CG 4.5Å; F177-L200 HydrophobicContact CG-CB 4.5Å; F177-K201 CarbonylContact C-O 3.53Å; F177-K201 WeakPolarHBondContact CA-O 3.44Å; F177-L202 HydrophobicContact CD1-CD2 3.96Å; F177-L202 HydrophobicContact CE1-CD2 3.55Å; F177-L202 HydrophobicContact CE1-CG 4.4Å; F177-L202 HydrophobicContact CZ-CD2 4.25Å |
| 178 | Y | 88.4 | Confident | 89.8 | Confident | 58 Ų | 58 | 50 Ų | 50 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 169.6 | 176.8 | 80.9 | -58.3 | 0 | 0 | 0 | 111.8 | P180 K201 L202 V203 | Y178-P180 HydrophobicContact CE2-CB 4.29Å; Y178-P180 HydrophobicContact CE2-CG 4.16Å; Y178-K201 HydrophobicContact CD1-CB 4.24Å; Y178-K201 WeakPolarHBondContact CD1-O 3.37Å; Y178-K201 HydrophobicContact CE1-CB 3.83Å; Y178-K201 PolarHBondContact N-O 3Å; Y178-K201 PolarHBondContact O-N 3.38Å; Y178-L202 VanDerWaalsContact CE1-O 3.32Å; Y178-L202 WeakPolarHBondContact CE1-O 3.23Å; Y178-V203 HydrophobicContact CD1-CB 4.45Å; Y178-V203 HydrophobicContact CD1-CG2 3.74Å; Y178-V203 HydrophobicContact CG-CG2 3.97Å |
| 179 | I | 87 | Confident | 88.8 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | trans | -107.3 | 122.1 | 169.4 | -62.4 | 169.9 | 0 | 0 | 0 | 107.4 | L46 E183 M184 L200 | L46-I179 HydrophobicContact CD2-CD1 3.66Å; I179-E183 HydrophobicContact CG2-CB 4.34Å; I179-M184 HydrophobicContact CB-CE 4.22Å; I179-M184 HydrophobicContact CG2-CB 4.06Å; I179-M184 HydrophobicContact CG2-CE 4.37Å; I179-M184 HydrophobicContact CG2-CG 4.38Å; I179-M184 WeakPolarHBondContact O-CE 3.43Å; I179-L200 HydrophobicContact CD1-CD2 3.89Å; I179-L200 HydrophobicContact CG1-CD2 3.52Å | ||
| 180 | P | 86.1 | Confident | 87.7 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | trans | -57.4 | 145.3 | 174.2 | -23.2 | 33 | 0 | 0 | 0 | 111.9 | Y178 E182 E183 M184 K201 | Y178-P180 HydrophobicContact CE2-CB 4.29Å; Y178-P180 HydrophobicContact CE2-CG 4.16Å; P180-E182 WeakPolarHBondContact CB-OE2 3.41Å; P180-E182 PolarHBondContact O-N 2.94Å; P180-E182 VanDerWaalsContact O-N 3.16Å; P180-E183 HydrophobicContact CB-CB 4.47Å; P180-E183 HydrophobicContact CB-CG 4.5Å; P180-E183 PolarHBondContact O-N 2.96Å; P180-M184 PolarHBondContact O-N 3.39Å; P180-M184 VanDerWaalsContact O-N 3.1Å; P180-K201 HydrophobicContact CG-CD 3.6Å; P180-K201 HydrophobicContact CG-CG 4.15Å | ||
| 181 | D | 84.3 | Confident | 86.6 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.5 | -177 | -69.4 | -30.3 | 0 | 0 | 0 | 111.3 | G8 Y9 R48 E183 M184 | G8-D181 WeakPolarHBondContact CA-OD2 3.25Å; Y9-D181 PolarHBondContact OH-OD1 3.05Å; R48-D181 PolarHBondContact NH1-O 3.34Å; R48-D181 PolarHBondContact NH2-O 2.95Å; D181-E183 VanDerWaalsContact C-N 3.28Å; D181-E183 PolarHBondContact O-N 2.78Å; D181-M184 PolarHBondContact O-N 2.94Å |
| 182 | E | 85.7 | Confident | 85.4 | Confident | 156 Ų | 156 | 65.6 Ų | 65.6 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.2 | 179.4 | -53.2 | 78 | -166.5 | 0 | 0 | 113.1 | P180 | P180-E182 WeakPolarHBondContact CB-OE2 3.41Å; P180-E182 PolarHBondContact O-N 2.94Å; P180-E182 VanDerWaalsContact O-N 3.16Å |
| 183 | E | 86.1 | Confident | 84.2 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -10.3 | -178.5 | -68.4 | 173.4 | -166.5 | 0 | 0 | 112.2 | I179 P180 D181 P185 K201 | I179-E183 HydrophobicContact CG2-CB 4.34Å; P180-E183 HydrophobicContact CB-CB 4.47Å; P180-E183 HydrophobicContact CB-CG 4.5Å; P180-E183 PolarHBondContact O-N 2.96Å; D181-E183 VanDerWaalsContact C-N 3.28Å; D181-E183 PolarHBondContact O-N 2.78Å; E183-P185 WeakPolarHBondContact O-CD 3.36Å; E183-K201 VanDerWaalsContact OE1-CE 3.25Å; E183-K201 WeakPolarHBondContact OE1-CE 3.25Å; E183-K201 IonicContact OE1-NZ 2.58Å; E183-K201 PolarHBondContact OE1-NZ 3.47Å; E183-K201 WeakPolarHBondContact OE2-CE 3.24Å; E183-K201 IonicContact OE2-NZ 3.43Å; E183-K201 PolarHBondContact OE2-NZ 3.45Å |
| 184 | M | 86.4 | Confident | 83.3 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 6% | 0.059 | 39% | 0.391 | C | S | . | . | trans | -74.7 | 120.9 | -174.8 | -163.7 | 175.1 | -62.2 | 0 | 0 | 111.7 | P45 R48 I179 P180 D181 | P45-M184 HydrophobicContact CB-SD 4.24Å; P45-M184 HydrophobicContact CG-CE 3.81Å; P45-M184 HydrophobicContact CG-SD 3.95Å; R48-M184 HydrophobicContact CG-CB 4.31Å; R48-M184 HydrophobicContact CG-CG 4.16Å; R48-M184 HydrophobicContact CG-SD 4.2Å; I179-M184 HydrophobicContact CB-CE 4.22Å; I179-M184 HydrophobicContact CG2-CB 4.06Å; I179-M184 HydrophobicContact CG2-CE 4.37Å; I179-M184 HydrophobicContact CG2-CG 4.38Å; I179-M184 WeakPolarHBondContact O-CE 3.43Å; P180-M184 PolarHBondContact O-N 3.39Å; P180-M184 VanDerWaalsContact O-N 3.1Å; D181-M184 PolarHBondContact O-N 2.94Å | ||
| 185 | P | 86.8 | Confident | 82.6 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | trans | -63.1 | 145.4 | 177.3 | 26.5 | -34 | 0 | 0 | 0 | 110.8 | L46 E47 R48 E183 M189 | L46-P185 WeakPolarHBondContact O-CD 3.33Å; L46-P185 WeakPolarHBondContact O-CG 3.18Å; E47-P185 CarbonylContact C-O 3.44Å; E47-P185 VanDerWaalsContact CA-O 3.26Å; E47-P185 WeakPolarHBondContact CA-O 3.4Å; E47-P185 HydrophobicContact CB-CG 4.45Å; E47-P185 HydrophobicContact CG-CG 4.07Å; R48-P185 PolarHBondContact N-O 3.2Å; E183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-M189 HydrophobicContact CG-CG 4.46Å | ||
| 186 | V | 85.2 | Confident | 81.9 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -73.5 | -36.4 | -179 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | N49 | N49-V186 WeakPolarHBondContact CB-O 3.41Å; N49-V186 PolarHBondContact N-O 2.99Å; N49-V186 PolarHBondContact ND2-O 3.39Å |
| 187 | H | 86.1 | Confident | 81.5 | Confident | 138 Ų | 138 | 85.2 Ų | 85.2 | 64% | 0.639 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -117.8 | 156.9 | -171.8 | -61.2 | -63.3 | 0 | 0 | 0 | 111.8 | M189 | H187-M189 PolarHBondContact O-N 3.48Š|
| 188 | K | 82.5 | Confident | 81.2 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | trans | -45 | 125.4 | 176.9 | -176.2 | -175.2 | 177.8 | -177.1 | 0 | 110.9 | V51 R52 Q190 | V51-K188 HydrophobicContact CB-CG 4.5Å; V51-K188 HydrophobicContact CG1-CD 4.26Å; V51-K188 HydrophobicContact CG1-CG 4.45Å; V51-K188 HydrophobicContact CG2-CB 4.46Å; R52-K188 VanDerWaalsContact NH1-CG 3.27Å; K188-Q190 PolarHBondContact O-N 2.84Å | ||
| 189 | M | 76.6 | Confident | 81 | Confident | 40 Ų | 40 | 86.6 Ų | 86.6 | 20% | 0.197 | 47% | 0.471 | C | S | . | . | trans | -58.7 | 129.6 | 172.3 | -63.9 | 174.7 | -75.2 | 0 | 0 | 109.9 | L46 E47 R52 P185 H187 V196 L198 | L46-M189 HydrophobicContact CB-CE 3.7Å; L46-M189 HydrophobicContact CD1-CE 3.84Å; L46-M189 HydrophobicContact CG-CE 4.38Å; E47-M189 HydrophobicContact CG-CG 4.4Å; E47-M189 WeakPolarHBondContact OE1-CE 3.39Å; E47-M189 PolarHBondContact OE1-N 3.06Å; E47-M189 VanDerWaalsContact OE1-N 3.15Å; R52-M189 VanDerWaalsContact NH1-N 3.18Å; R52-M189 PolarHBondContact NH1-O 2.78Å; R52-M189 PolarHBondContact NH2-O 3.4Å; P185-M189 HydrophobicContact CG-CG 4.46Å; H187-M189 PolarHBondContact O-N 3.48Å; M189-V196 HydrophobicContact SD-CG1 4.04Å; M189-L198 HydrophobicContact CE-CD2 3.87Å; M189-L198 HydrophobicContact SD-CD2 3.75Å | ||
| 190 | Q | 76.7 | Confident | 81.1 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | trans | -79.1 | 135.5 | -179.6 | -63.4 | -63.7 | -14 | 0 | 0 | 110.1 | K188 | K188-Q190 PolarHBondContact O-N 2.84Š| ||
| 191 | S | 73.8 | Confident | 81.1 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -90.5 | -0.2 | -178.4 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 192 | S | 73 | Confident | 81.4 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -13.3 | -176.3 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 193 | E | 70.6 | Confident | 81.4 | Confident | 180 Ų | 180 | 89.3 Ų | 89.3 | 84% | 0.841 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 11.3 | -171.1 | -63.5 | -176.6 | 177 | 0 | 0 | 113.8 | ||
| 194 | G | 76.1 | Confident | 81.2 | Confident | 41 Ų | 41 | 86.6 Ų | 86.6 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 105.5 | -163.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 195 | P | 77.6 | Confident | 81 | Confident | 103 Ų | 103 | 90.5 Ų | 90.5 | 67% | 0.669 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -56.5 | 140.7 | 178.7 | -23.8 | 34.1 | 0 | 0 | 0 | 112.4 | ||
| 196 | V | 75.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 88.7 Ų | 88.7 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 117.8 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | M189 L198 | M189-V196 HydrophobicContact SD-CG1 4.04Å; V196-L198 HydrophobicContact CG1-CD2 3.85Å; V196-L198 HydrophobicContact CG1-CG 4.08Å |
| 197 | H | 78.9 | Confident | 81.1 | Confident | 168 Ų | 168 | 86.5 Ų | 86.5 | 78% | 0.778 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -94 | 119.2 | 170.2 | -63.5 | -74 | 0 | 0 | 0 | 110.1 | ||
| 198 | L | 82 | Confident | 81.2 | Confident | 79 Ų | 79 | 80.7 Ų | 80.7 | 41% | 0.414 | 44% | 0.444 | S | S | . | . | trans | -106.4 | 118.1 | 177 | -64 | 178.2 | 0 | 0 | 0 | 110.4 | L46 M189 V196 | L46-L198 HydrophobicContact CD1-CD1 4.02Å; L46-L198 HydrophobicContact CD1-CD2 4.5Å; L46-L198 HydrophobicContact CD2-CD1 4.37Å; M189-L198 HydrophobicContact CE-CD2 3.87Å; M189-L198 HydrophobicContact SD-CD2 3.75Å; V196-L198 HydrophobicContact CG1-CD2 3.85Å; V196-L198 HydrophobicContact CG1-CG 4.08Å | ||
| 199 | T | 85 | Confident | 81.5 | Confident | 114 Ų | 114 | 76 Ų | 76 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | trans | -96.5 | 116.3 | 171.4 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | L | 88 | Confident | 82.3 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | trans | -112.8 | 145.1 | 177.6 | -50.2 | 174.6 | 0 | 0 | 0 | 110.2 | I54 F177 I179 | I54-L200 HydrophobicContact CD1-CD1 3.64Å; I54-L200 HydrophobicContact CD1-CD2 4.04Å; I54-L200 HydrophobicContact CD1-CG 4.5Å; F177-L200 HydrophobicContact CB-CB 3.83Å; F177-L200 HydrophobicContact CB-CD1 3.91Å; F177-L200 HydrophobicContact CB-CG 4.5Å; F177-L200 HydrophobicContact CG-CB 4.5Å; I179-L200 HydrophobicContact CD1-CD2 3.89Å; I179-L200 HydrophobicContact CG1-CD2 3.52Å | ||
| 201 | K | 87.5 | Confident | 83 | Confident | 89 Ų | 89 | 68.9 Ų | 68.9 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 154.8 | 172.7 | -62.2 | -163.4 | -171.9 | 171.1 | 0 | 110.8 | F177 Y178 P180 E183 V203 | F177-K201 CarbonylContact C-O 3.53Å; F177-K201 WeakPolarHBondContact CA-O 3.44Å; Y178-K201 HydrophobicContact CD1-CB 4.24Å; Y178-K201 WeakPolarHBondContact CD1-O 3.37Å; Y178-K201 HydrophobicContact CE1-CB 3.83Å; Y178-K201 PolarHBondContact N-O 3Å; Y178-K201 PolarHBondContact O-N 3.38Å; P180-K201 HydrophobicContact CG-CD 3.6Å; P180-K201 HydrophobicContact CG-CG 4.15Å; E183-K201 VanDerWaalsContact OE1-CE 3.25Å; E183-K201 WeakPolarHBondContact OE1-CE 3.25Å; E183-K201 IonicContact OE1-NZ 2.58Å; E183-K201 PolarHBondContact OE1-NZ 3.47Å; E183-K201 WeakPolarHBondContact OE2-CE 3.24Å; E183-K201 IonicContact OE2-NZ 3.43Å; E183-K201 PolarHBondContact OE2-NZ 3.45Å; K201-V203 PolarHBondContact O-N 3.47Å |
| 202 | L | 89 | Confident | 83.8 | Confident | 118 Ų | 118 | 68 Ų | 68 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.4 | 172.8 | -73.2 | 169.5 | 0 | 0 | 0 | 110.6 | D176 F177 Y178 P204 | D176-L202 WeakPolarHBondContact O-CA 3.16Å; F177-L202 HydrophobicContact CD1-CD2 3.96Å; F177-L202 HydrophobicContact CE1-CD2 3.55Å; F177-L202 HydrophobicContact CE1-CG 4.4Å; F177-L202 HydrophobicContact CZ-CD2 4.25Å; Y178-L202 VanDerWaalsContact CE1-O 3.32Å; Y178-L202 WeakPolarHBondContact CE1-O 3.23Å; L202-P204 WeakPolarHBondContact O-CD 3.29Å |
| 203 | V | 85.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 124.4 | 169.3 | 170.8 | 0 | 0 | 0 | 0 | 108.4 | V145 L149 S175 D176 Y178 K201 K205 | V145-V203 HydrophobicContact CG2-CG1 4.26Å; V145-V203 HydrophobicContact CG2-CG2 4.12Å; L149-V203 HydrophobicContact CD1-CG1 3.89Å; L149-V203 HydrophobicContact CD2-CG1 4.43Å; S175-V203 WeakPolarHBondContact O-CB 3.31Å; S175-V203 VanDerWaalsContact O-CG2 3.26Å; S175-V203 WeakPolarHBondContact O-CG2 3.38Å; D176-V203 PolarHBondContact O-N 3.41Å; Y178-V203 HydrophobicContact CD1-CB 4.45Å; Y178-V203 HydrophobicContact CD1-CG2 3.74Å; Y178-V203 HydrophobicContact CG-CG2 3.97Å; K201-V203 PolarHBondContact O-N 3.47Å; V203-K205 PolarHBondContact O-N 2.95Å |
| 204 | P | 82.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -65 | 132 | -177.3 | 16.4 | -17.8 | 0 | 0 | 0 | 110.1 | L4 W5 L202 M206 | L4-P204 HydrophobicContact CD2-CG 4.44Å; W5-P204 HydrophobicContact CE3-CG 4.36Å; W5-P204 HydrophobicContact CH2-CB 3.43Å; W5-P204 VanDerWaalsContact CH2-CB 3.43Å; W5-P204 HydrophobicContact CH2-CG 3.94Å; W5-P204 WeakPolarHBondContact CH2-O 3.11Å; W5-P204 HydrophobicContact CZ2-CB 4.5Å; W5-P204 HydrophobicContact CZ3-CB 3.55Å; W5-P204 HydrophobicContact CZ3-CG 3.5Å; W5-P204 VanDerWaalsContact CZ3-CG 3.5Å; W5-P204 WeakPolarHBondContact CZ3-O 3.24Å; L202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-M206 PolarHBondContact O-N 2.66Å; P204-M206 VanDerWaalsContact O-N 3.1Å |
| 205 | K | 81.3 | Confident | 86.7 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | trans | -74.7 | 105.6 | -166.3 | -62.3 | -59.7 | -175 | -168.9 | 0 | 111 | D176 V203 Y311 | D176-K205 IonicContact OD1-NZ 2.6Å; D176-K205 PolarHBondContact OD1-NZ 2.84Å; V203-K205 PolarHBondContact O-N 2.95Å; K205-Y311 HydrophobicContact CB-CE1 4.25Å | ||
| 206 | M | 84.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 61 Ų | 61 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.6 | -28.6 | -177 | -83.4 | -64.3 | -81.9 | 0 | 0 | 115.4 | W5 L149 A153 P204 G208 A209 L210 | W5-M206 HydrophobicContact CD2-CE 4.21Å; W5-M206 HydrophobicContact CD2-CG 4.35Å; W5-M206 HydrophobicContact CD2-SD 3.16Å; W5-M206 HydrophobicContact CE3-CE 4.49Å; W5-M206 HydrophobicContact CE3-CG 3.85Å; W5-M206 HydrophobicContact CE3-SD 3.25Å; W5-M206 HydrophobicContact CG-CE 4.19Å; W5-M206 HydrophobicContact CG-SD 3.74Å; W5-M206 HydrophobicContact CH2-CG 3.88Å; W5-M206 HydrophobicContact CH2-SD 3.46Å; W5-M206 WeakPolarHBondContact CH2-SD 3.19Å; W5-M206 HydrophobicContact CZ2-CG 4.47Å; W5-M206 HydrophobicContact CZ2-SD 3.48Å; W5-M206 WeakPolarHBondContact CZ2-SD 3.43Å; W5-M206 HydrophobicContact CZ3-CG 3.55Å; W5-M206 HydrophobicContact CZ3-SD 3.37Å; W5-M206 WeakPolarHBondContact CZ3-SD 3.38Å; L149-M206 HydrophobicContact CD2-CB 4.23Å; L149-M206 HydrophobicContact CD2-CG 3.48Å; L149-M206 VanDerWaalsContact CD2-CG 3.48Å; A153-M206 HydrophobicContact CB-CE 3.66Å; P204-M206 PolarHBondContact O-N 2.66Å; P204-M206 VanDerWaalsContact O-N 3.1Å; M206-G208 VanDerWaalsContact C-N 3.27Å; M206-G208 PolarHBondContact O-N 2.82Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 VanDerWaalsContact O-N 3.14Å; M206-L210 HydrophobicContact CB-CD1 4.35Å; M206-L210 HydrophobicContact CE-CD2 4.46Å; M206-L210 HydrophobicContact CE-CG 4.42Å; M206-L210 WeakPolarHBondContact O-CG 3.39Å; M206-L210 PolarHBondContact O-N 2.65Å |
| 207 | L | 89.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | -172.1 | -175.9 | 56.6 | 0 | 0 | 0 | 112.4 | L170 L210 V211 V220 Y311 | L170-L207 HydrophobicContact CD1-CD1 3.69Å; L207-L210 PolarHBondContact O-N 3.19Å; L207-V211 HydrophobicContact CD1-CG2 4.2Å; L207-V211 VanDerWaalsContact O-CG2 3.25Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 2.82Å; L207-V211 VanDerWaalsContact O-N 3.13Å; L207-V220 HydrophobicContact CD1-CG1 3.78Å; L207-Y311 HydrophobicContact CB-CD1 4.17Å; L207-Y311 HydrophobicContact CB-CD2 4.41Å; L207-Y311 HydrophobicContact CB-CE1 4.46Å; L207-Y311 HydrophobicContact CB-CG 4.13Å; L207-Y311 HydrophobicContact CD2-CD2 3.61Å; L207-Y311 HydrophobicContact CD2-CE2 4.24Å; L207-Y311 HydrophobicContact CD2-CG 3.87Å; L207-Y311 HydrophobicContact CG-CD1 4.41Å; L207-Y311 HydrophobicContact CG-CD2 4.17Å; L207-Y311 HydrophobicContact CG-CG 3.91Å |
| 208 | G | 88.5 | Confident | 89.4 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -54.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | M206 L210 V211 T212 | M206-G208 VanDerWaalsContact C-N 3.27Å; M206-G208 PolarHBondContact O-N 2.82Å; G208-L210 VanDerWaalsContact C-N 3.3Å; G208-L210 PolarHBondContact O-N 3.24Å; G208-V211 PolarHBondContact O-N 2.68Å; G208-T212 WeakPolarHBondContact O-CG2 3.46Å; G208-T212 PolarHBondContact O-N 3.33Å; G208-T212 PolarHBondContact O-OG1 3.07Å |
| 209 | A | 89.6 | Confident | 90.1 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | M206 E213 I214 | M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 VanDerWaalsContact O-N 3.14Å; A209-E213 WeakPolarHBondContact O-CA 3.03Å; A209-E213 VanDerWaalsContact O-CB 3.31Å; A209-E213 WeakPolarHBondContact O-CB 3.3Å; A209-E213 PolarHBondContact O-N 3.19Å; A209-I214 PolarHBondContact O-N 2.83Å |
| 210 | L | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -59.3 | -49.3 | 174.9 | -75.4 | 168.6 | 0 | 0 | 0 | 111.2 | L152 S156 L170 M206 L207 G208 I214 V215 | L152-L210 HydrophobicContact CD1-CD1 4.31Å; L152-L210 HydrophobicContact CD2-CD1 3.77Å; L152-L210 HydrophobicContact CG-CD1 4.01Å; L152-L210 HydrophobicContact CG-CD2 4.45Å; S156-L210 WeakPolarHBondContact OG-CD2 3.43Å; L170-L210 HydrophobicContact CD1-CD1 4.44Å; M206-L210 HydrophobicContact CB-CD1 4.35Å; M206-L210 HydrophobicContact CE-CD2 4.46Å; M206-L210 HydrophobicContact CE-CG 4.42Å; M206-L210 WeakPolarHBondContact O-CG 3.39Å; M206-L210 PolarHBondContact O-N 2.65Å; L207-L210 PolarHBondContact O-N 3.19Å; G208-L210 VanDerWaalsContact C-N 3.3Å; G208-L210 PolarHBondContact O-N 3.24Å; L210-I214 HydrophobicContact CD2-CD1 3.97Å; L210-I214 PolarHBondContact O-N 2.87Å; L210-V215 VanDerWaalsContact O-CG2 3.24Å; L210-V215 WeakPolarHBondContact O-CG2 3.39Å; L210-V215 PolarHBondContact O-N 2.88Å |
| 211 | V | 92.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -73.2 | -42.7 | -176.5 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | L207 G208 K216 V220 Y311 H313 | L207-V211 HydrophobicContact CD1-CG2 4.2Å; L207-V211 VanDerWaalsContact O-CG2 3.25Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 2.82Å; L207-V211 VanDerWaalsContact O-N 3.13Å; G208-V211 PolarHBondContact O-N 2.68Å; V211-K216 WeakPolarHBondContact O-CA 3.47Å; V211-V220 HydrophobicContact CG2-CB 4.24Å; V211-V220 HydrophobicContact CG2-CG1 4.09Å; V211-V220 HydrophobicContact CG2-CG2 4.19Å; V211-Y311 WeakPolarHBondContact CG1-O 3.25Å; V211-H313 HydrophobicContact CG2-CB 3.82Å |
| 212 | T | 90.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 38.7 Ų | 38.7 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -88.6 | -28.7 | -171.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | G208 K216 | G208-T212 WeakPolarHBondContact O-CG2 3.46Å; G208-T212 PolarHBondContact O-N 3.33Å; G208-T212 PolarHBondContact O-OG1 3.07Å; T212-K216 WeakPolarHBondContact O-CE 3.37Å |
| 213 | E | 90.7 | Very high | 92 | Very high | 98 Ų | 98 | 34.8 Ų | 34.8 | 46% | 0.458 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -114.9 | -33.9 | -172.2 | -60.3 | 178.6 | -163.3 | 0 | 0 | 113.3 | A209 | A209-E213 WeakPolarHBondContact O-CA 3.03Å; A209-E213 VanDerWaalsContact O-CB 3.31Å; A209-E213 WeakPolarHBondContact O-CB 3.3Å; A209-E213 PolarHBondContact O-N 3.19Å |
| 214 | I | 93.9 | Very high | 92.4 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -101.4 | -71.8 | -169.2 | -57 | 174.4 | 0 | 0 | 0 | 111.3 | R157 T160 A209 L210 | R157-I214 HydrophobicContact CB-CG2 4.29Å; R157-I214 HydrophobicContact CG-CG2 3.57Å; T160-I214 HydrophobicContact CG2-CG2 4.21Å; T160-I214 WeakPolarHBondContact CG2-O 3.29Å; A209-I214 PolarHBondContact O-N 2.83Å; L210-I214 HydrophobicContact CD2-CD1 3.97Å; L210-I214 PolarHBondContact O-N 2.87Å |
| 215 | V | 94.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | trans | -107.4 | 57.9 | -171.9 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | S156 T160 L168 L210 E217 A218 V220 | S156-V215 WeakPolarHBondContact O-CG1 3.48Å; T160-V215 HydrophobicContact CG2-CG1 4.09Å; L168-V215 HydrophobicContact CD1-CG1 4.36Å; L168-V215 HydrophobicContact CD1-CG2 4.15Å; L168-V215 HydrophobicContact CD2-CG2 3.82Å; L210-V215 VanDerWaalsContact O-CG2 3.24Å; L210-V215 WeakPolarHBondContact O-CG2 3.39Å; L210-V215 PolarHBondContact O-N 2.88Å; V215-E217 PolarHBondContact O-N 3.34Å; V215-E217 VanDerWaalsContact O-N 3.07Å; V215-A218 HydrophobicContact CB-CB 3.73Å; V215-A218 HydrophobicContact CG1-CB 4.48Å; V215-A218 HydrophobicContact CG2-CB 4.19Å; V215-A218 PolarHBondContact O-N 3.04Å; V215-A218 VanDerWaalsContact O-N 3.07Å; V215-V220 HydrophobicContact CG2-CG2 4.19Å | ||
| 216 | K | 94.9 | Very high | 92.7 | Very high | 151 Ų | 151 | 35.6 Ų | 35.6 | 66% | 0.657 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.6 | -171.1 | -60.4 | -178.2 | -174.9 | -177.6 | 0 | 115.2 | V211 T212 | V211-K216 WeakPolarHBondContact O-CA 3.47Å; T212-K216 WeakPolarHBondContact O-CE 3.37Å |
| 217 | E | 95.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -11.6 | -177.2 | -60 | -171.4 | 127 | 0 | 0 | 113.5 | G163 R164 V215 H367 | G163-E217 WeakPolarHBondContact CA-OE2 3.41Å; R164-E217 WeakPolarHBondContact CA-O 3.27Å; R164-E217 HydrophobicContact CG-CB 4.14Å; V215-E217 PolarHBondContact O-N 3.34Å; V215-E217 VanDerWaalsContact O-N 3.07Å; E217-H367 PolarHBondContact O-NE2 3.1Å |
| 218 | A | 97.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -68.5 | 155.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A166 L168 V215 V220 | A166-A218 HydrophobicContact CB-CB 3.78Å; A166-A218 WeakPolarHBondContact O-CA 3.48Å; A166-A218 WeakPolarHBondContact O-CB 3.44Å; L168-A218 HydrophobicContact CD1-CB 4Å; V215-A218 HydrophobicContact CB-CB 3.73Å; V215-A218 HydrophobicContact CG1-CB 4.48Å; V215-A218 HydrophobicContact CG2-CB 4.19Å; V215-A218 PolarHBondContact O-N 3.04Å; V215-A218 VanDerWaalsContact O-N 3.07Å; A218-V220 HydrophobicContact CB-CG2 4.43Å |
| 219 | F | 98 | Very high | 89.8 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.1 | 167.7 | -164.1 | -90.6 | 0 | 0 | 0 | 108.8 | A166 L167 L168 V221 Q314 L315 L360 L363 H364 H367 | A166-F219 PolarHBondContact O-N 3.42Å; L167-F219 CarbonylContact C-O 3.52Å; L167-F219 WeakPolarHBondContact CA-O 3.37Å; L167-F219 HydrophobicContact CD1-CB 3.96Å; L167-F219 HydrophobicContact CD1-CD1 3.46Å; L167-F219 VanDerWaalsContact CD1-CD1 3.46Å; L167-F219 HydrophobicContact CD1-CE1 4.42Å; L167-F219 HydrophobicContact CD1-CG 4.15Å; L167-F219 WeakPolarHBondContact CD1-O 3.33Å; L168-F219 PolarHBondContact N-O 2.75Å; F219-V221 HydrophobicContact CD1-CG2 3.78Å; F219-V221 HydrophobicContact CE1-CG2 3.7Å; F219-Q314 HydrophobicContact CD2-CB 3.79Å; F219-Q314 HydrophobicContact CD2-CG 3.81Å; F219-Q314 HydrophobicContact CE1-CB 4.33Å; F219-Q314 HydrophobicContact CE2-CB 3.5Å; F219-Q314 HydrophobicContact CE2-CG 3.93Å; F219-Q314 HydrophobicContact CG-CB 4.35Å; F219-Q314 HydrophobicContact CZ-CB 3.81Å; F219-L315 HydrophobicContact CE1-CB 4.12Å; F219-L315 HydrophobicContact CE1-CD2 4.33Å; F219-L315 HydrophobicContact CZ-CB 4.23Å; F219-L360 HydrophobicContact CD1-CD1 4.33Å; F219-L360 HydrophobicContact CE1-CD1 3.89Å; F219-L363 HydrophobicContact CE2-CB 4.47Å; F219-L363 HydrophobicContact CZ-CB 3.9Å; F219-H364 WeakPolarHBondContact CB-CD2 3.49Å; F219-H364 HydrophobicContact CG-CB 4.48Å; F219-H364 AromaticContact CG-CD2 3.96Å; F219-H367 HydrophobicContact CD2-CB 3.51Å; F219-H367 AromaticContact CD2-CG 3.55Å; F219-H367 AromaticContact CD2-ND1 3.78Å; F219-H367 HydrophobicContact CE2-CB 4Å; F219-H367 HydrophobicContact CG-CB 4.49Å |
| 220 | V | 98.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.5 | -174.7 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | L168 L170 L207 V211 V215 A218 H313 Q314 L315 | L168-V220 HydrophobicContact CB-CG1 4.27Å; L168-V220 HydrophobicContact CB-CG2 4.28Å; L168-V220 HydrophobicContact CD2-CG2 4.47Å; L170-V220 HydrophobicContact CD1-CG1 4.16Å; L207-V220 HydrophobicContact CD1-CG1 3.78Å; V211-V220 HydrophobicContact CG2-CB 4.24Å; V211-V220 HydrophobicContact CG2-CG1 4.09Å; V211-V220 HydrophobicContact CG2-CG2 4.19Å; V215-V220 HydrophobicContact CG2-CG2 4.19Å; A218-V220 HydrophobicContact CB-CG2 4.43Å; V220-H313 HydrophobicContact CB-CB 3.93Å; V220-H313 HydrophobicContact CG1-CB 4.08Å; V220-H313 PolarHBondContact O-CD2 2.95Å; V220-Q314 PolarHBondContact O-N 2.78Å; V220-L315 PolarHBondContact O-N 3.48Å |
| 221 | V | 98.3 | Very high | 86 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.4 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | L167 L168 Y169 L170 F219 F223 L315 I317 L360 | L167-V221 HydrophobicContact CD1-CG2 3.99Å; L168-V221 PolarHBondContact O-N 3.35Å; Y169-V221 HydrophobicContact CD2-CB 4.45Å; Y169-V221 HydrophobicContact CD2-CG1 4.39Å; L170-V221 WeakPolarHBondContact CB-O 3.27Å; L170-V221 PolarHBondContact N-O 3.36Å; F219-V221 HydrophobicContact CD1-CG2 3.78Å; F219-V221 HydrophobicContact CE1-CG2 3.7Å; V221-F223 HydrophobicContact CG1-CE2 4.35Å; V221-L315 WeakPolarHBondContact CA-O 3.18Å; V221-L315 HydrophobicContact CG1-CB 4.35Å; V221-L315 HydrophobicContact CG1-CD2 3.94Å; V221-L315 HydrophobicContact CG1-CG 4.1Å; V221-L315 HydrophobicContact CG2-CB 4.26Å; V221-L315 HydrophobicContact CG2-CD2 4.08Å; V221-I317 HydrophobicContact CG1-CD1 3.75Å; V221-I317 HydrophobicContact CG1-CG1 3.92Å; V221-L360 HydrophobicContact CG2-CD1 3.56Å |
| 222 | S | 97.4 | Very high | 83.9 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 161.7 | 170.5 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | H313 L315 V316 I317 | S222-H313 PolarHBondContact OG-NE2 3.46Å; S222-L315 PolarHBondContact N-O 3.03Å; S222-V316 CarbonylContact O-C 3.53Å; S222-V316 WeakPolarHBondContact O-CA 3.5Å; S222-I317 PolarHBondContact O-N 2.87Å |
| 223 | F | 95.7 | Very high | 82.1 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.5 | 177.3 | -78.9 | -94.9 | 0 | 0 | 0 | 111.2 | Y169 L170 A171 V221 I317 | Y169-F223 HydrophobicContact CD1-CE2 4.05Å; Y169-F223 HydrophobicContact CD2-CE2 4.05Å; Y169-F223 HydrophobicContact CD2-CZ 4.35Å; Y169-F223 AromaticContact CE1-CE2 3.67Å; Y169-F223 HydrophobicContact CE1-CE2 3.67Å; Y169-F223 AromaticContact CE1-CZ 3.82Å; Y169-F223 HydrophobicContact CE1-CZ 3.82Å; Y169-F223 AromaticContact CE2-CE2 3.68Å; Y169-F223 HydrophobicContact CE2-CE2 3.68Å; Y169-F223 AromaticContact CE2-CZ 3.53Å; Y169-F223 HydrophobicContact CE2-CZ 3.53Å; Y169-F223 HydrophobicContact CG-CE2 4.27Å; Y169-F223 AromaticContact CZ-CE2 3.5Å; Y169-F223 VanDerWaalsContact CZ-CE2 3.5Å; Y169-F223 AromaticContact CZ-CZ 3.24Å; Y169-F223 WeakPolarHBondContact OH-CZ 3.41Å; L170-F223 WeakPolarHBondContact O-CD2 3.46Å; A171-F223 HydrophobicContact CB-CD2 3.72Å; A171-F223 HydrophobicContact CB-CE2 3.71Å; A171-F223 HydrophobicContact CB-CG 4.38Å; A171-F223 HydrophobicContact CB-CZ 4.36Å; V221-F223 HydrophobicContact CG1-CE2 4.35Å; F223-I317 WeakPolarHBondContact CA-O 3.45Å; F223-I317 HydrophobicContact CD1-CB 3.88Å; F223-I317 HydrophobicContact CD1-CG2 4.04Å; F223-I317 HydrophobicContact CE1-CB 3.52Å; F223-I317 HydrophobicContact CE1-CD1 4.03Å; F223-I317 HydrophobicContact CE1-CG1 4.34Å; F223-I317 HydrophobicContact CE1-CG2 3.51Å; F223-I317 HydrophobicContact CE2-CD1 4.32Å; F223-I317 HydrophobicContact CZ-CB 3.92Å; F223-I317 HydrophobicContact CZ-CD1 3.6Å; F223-I317 HydrophobicContact CZ-CG1 4.27Å; F223-I317 HydrophobicContact CZ-CG2 4.21Å |
| 224 | K | 92.9 | Very high | 80.3 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.8 | 169.6 | -172.2 | 66.3 | 66 | -178 | 0 | 108.8 | L300 K303 V316 I317 G318 N319 | K224-L300 HydrophobicContact CG-CD1 4.17Å; K224-K303 HydrophobicContact CD-CB 4.38Å; K224-K303 HydrophobicContact CG-CB 4.27Å; K224-V316 HydrophobicContact CB-CG1 3.91Å; K224-I317 PolarHBondContact N-O 2.94Å; K224-G318 CarbonylContact O-C 3.57Å; K224-G318 VanDerWaalsContact O-CA 3.3Å; K224-G318 WeakPolarHBondContact O-CA 3.2Å; K224-N319 PolarHBondContact O-N 3.42Å |
| 225 | I | 86.5 | Confident | 78.3 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.6 | 178.4 | -57 | 173.7 | 0 | 0 | 0 | 107.7 | N319 L321 | I225-N319 WeakPolarHBondContact CA-O 3.34Å; I225-L321 HydrophobicContact CG2-CB 3.98Å; I225-L321 HydrophobicContact CG2-CD1 3.93Å |
| 226 | L | 83.3 | Confident | 76.3 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.8 | 172.3 | -178.9 | 63.6 | 0 | 0 | 0 | 108.2 | I228 E294 I299 L300 N319 I320 L321 | L226-I228 HydrophobicContact CD2-CD1 3.83Å; L226-I228 HydrophobicContact CD2-CG1 4.03Å; L226-I228 HydrophobicContact CG-CD1 4.1Å; L226-I228 HydrophobicContact CG-CG1 3.77Å; L226-E294 HydrophobicContact CD1-CB 3.41Å; L226-E294 VanDerWaalsContact CD1-CB 3.41Å; L226-E294 HydrophobicContact CD1-CG 4.33Å; L226-E294 WeakPolarHBondContact CD1-OE2 3.46Å; L226-I299 HydrophobicContact CD1-CD1 3.79Å; L226-I299 HydrophobicContact CD1-CG1 3.97Å; L226-I299 HydrophobicContact CD2-CD1 4.42Å; L226-I299 HydrophobicContact CD2-CG1 3.88Å; L226-L300 HydrophobicContact CB-CD1 4.11Å; L226-L300 HydrophobicContact CD2-CB 4.03Å; L226-N319 PolarHBondContact N-O 3.39Å; L226-I320 CarbonylContact O-C 3.5Å; L226-I320 WeakPolarHBondContact O-CA 3.45Å; L226-L321 PolarHBondContact O-N 3.25Å |
| 227 | D | 76.9 | Confident | 74.4 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | trans | -101.4 | 111.3 | 177.9 | -176.2 | -14.8 | 0 | 0 | 0 | 108.8 | F230 E294 L321 | D227-F230 PolarHBondContact OD1-N 2.78Å; D227-E294 VanDerWaalsContact O-O 3.05Å; D227-L321 HydrophobicContact CB-CB 4.26Å; D227-L321 HydrophobicContact CB-CD2 3.96Å; D227-L321 VanDerWaalsContact CG-CD2 3.42Å; D227-L321 VanDerWaalsContact OD2-CD2 3.3Å; D227-L321 WeakPolarHBondContact OD2-CD2 3.24Å | ||
| 228 | I | 69.2 | Low | 72.3 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | trans | -105.7 | -31.5 | -172 | -57.6 | 176.8 | 0 | 0 | 0 | 110.5 | L226 F230 T295 P297 I320 E322 | L226-I228 HydrophobicContact CD2-CD1 3.83Å; L226-I228 HydrophobicContact CD2-CG1 4.03Å; L226-I228 HydrophobicContact CG-CD1 4.1Å; L226-I228 HydrophobicContact CG-CG1 3.77Å; I228-F230 PolarHBondContact O-N 2.82Å; I228-T295 VanDerWaalsContact CG2-O 3.29Å; I228-T295 WeakPolarHBondContact CG2-O 3.35Å; I228-P297 HydrophobicContact CD1-CB 3.61Å; I228-P297 HydrophobicContact CD1-CG 4.33Å; I228-I320 HydrophobicContact CD1-CD1 3.89Å; I228-I320 HydrophobicContact CD1-CG1 3.98Å; I228-I320 HydrophobicContact CD1-CG2 3.82Å; I228-I320 HydrophobicContact CG1-CG2 4.32Å; I228-E322 PolarHBondContact N-OE1 3Å | ||
| 229 | L | 56.5 | Low | 70 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 29% | 0.293 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.5 | -174.4 | -95.9 | 71.9 | 0 | 0 | 0 | 115.1 | I231 L232 H233 E322 | L229-I231 PolarHBondContact O-N 2.8Å; L229-I231 VanDerWaalsContact O-N 3.09Å; L229-L232 HydrophobicContact CD1-CD1 3.97Å; L229-L232 HydrophobicContact CG-CB 4.18Å; L229-L232 HydrophobicContact CG-CD1 3.77Å; L229-L232 PolarHBondContact O-N 3.08Å; L229-H233 PolarHBondContact O-N 2.73Å; L229-H233 VanDerWaalsContact O-N 3.16Å; L229-H233 PolarHBondContact O-ND1 2.92Å; L229-E322 HydrophobicContact CB-CG 3.96Å; L229-E322 VanDerWaalsContact CB-OE1 3.24Å; L229-E322 WeakPolarHBondContact CB-OE1 3.45Å; L229-E322 HydrophobicContact CD1-CB 4.44Å; L229-E322 HydrophobicContact CD1-CG 3.49Å; L229-E322 VanDerWaalsContact CD1-CG 3.49Å; L229-E322 HydrophobicContact CD2-CG 3.97Å; L229-E322 HydrophobicContact CG-CG 3.95Å; L229-E322 PolarHBondContact N-OE1 3.13Å |
| 230 | F | 53.7 | Low | 67.7 | Low | 106 Ų | 106 | 59.7 Ų | 59.7 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.7 | -33.1 | 177.2 | -166.5 | -100.9 | 0 | 0 | 0 | 112.3 | D227 I228 I234 L293 | D227-F230 PolarHBondContact OD1-N 2.78Å; I228-F230 PolarHBondContact O-N 2.82Å; F230-I234 HydrophobicContact CD1-CD1 3.95Å; F230-I234 HydrophobicContact CE1-CD1 3.46Å; F230-I234 VanDerWaalsContact CE1-CD1 3.46Å; F230-I234 HydrophobicContact CZ-CD1 3.97Å; F230-I234 WeakPolarHBondContact O-CG1 3.25Å; F230-L293 HydrophobicContact CD1-CD1 3.95Å; F230-L293 HydrophobicContact CD1-CD2 3.8Å; F230-L293 HydrophobicContact CE1-CD2 4.47Å |
| 231 | I | 49.7 | Very low | 65.3 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.8 | -42 | 176.5 | -61.5 | -166.8 | 0 | 0 | 0 | 112.2 | L229 H233 I234 L235 S275 I277 L293 T295 | L229-I231 PolarHBondContact O-N 2.8Å; L229-I231 VanDerWaalsContact O-N 3.09Å; I231-H233 PolarHBondContact O-N 2.87Å; I231-I234 PolarHBondContact O-N 3.04Å; I231-I234 VanDerWaalsContact O-N 3.16Å; I231-L235 HydrophobicContact CG2-CD1 3.67Å; I231-L235 HydrophobicContact CG2-CG 4Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 2.88Å; I231-S275 WeakPolarHBondContact CD1-OG 3.3Å; I231-I277 HydrophobicContact CB-CD1 4.47Å; I231-I277 HydrophobicContact CD1-CD1 3.8Å; I231-I277 HydrophobicContact CD1-CG1 4.06Å; I231-I277 HydrophobicContact CG1-CD1 3.77Å; I231-I277 HydrophobicContact CG2-CD1 4.2Å; I231-L293 HydrophobicContact CD1-CB 3.89Å; I231-L293 HydrophobicContact CD1-CD1 3.74Å; I231-L293 HydrophobicContact CD1-CG 4.48Å; I231-L293 HydrophobicContact CG1-CB 4.17Å; I231-L293 HydrophobicContact CG1-CD1 3.46Å; I231-L293 VanDerWaalsContact CG1-CD1 3.46Å; I231-L293 HydrophobicContact CG1-CG 4.44Å; I231-T295 HydrophobicContact CD1-CG2 3.26Å; I231-T295 HydrophobicContact CG1-CG2 4.04Å |
| 232 | L | 48.1 | Very low | 62.7 | Low | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | -176 | -72.9 | 169.4 | 0 | 0 | 0 | 112.1 | L229 I234 L235 D236 | L229-L232 HydrophobicContact CD1-CD1 3.97Å; L229-L232 HydrophobicContact CG-CB 4.18Å; L229-L232 HydrophobicContact CG-CD1 3.77Å; L229-L232 PolarHBondContact O-N 3.08Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 3Å; L232-L235 PolarHBondContact O-N 3.17Å; L232-D236 WeakPolarHBondContact O-CB 3.48Å; L232-D236 PolarHBondContact O-N 2.86Å |
| 233 | H | 53 | Low | 60.1 | Low | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 175.1 | -71.8 | 121.6 | 0 | 0 | 0 | 113.2 | L229 I231 L237 | L229-H233 PolarHBondContact O-N 2.73Å; L229-H233 VanDerWaalsContact O-N 3.16Å; L229-H233 PolarHBondContact O-ND1 2.92Å; I231-H233 PolarHBondContact O-N 2.87Å; H233-L237 WeakPolarHBondContact O-CB 3.37Å; H233-L237 PolarHBondContact O-N 2.92Å; H233-L237 VanDerWaalsContact O-N 3.1Å |
| 234 | I | 52.2 | Low | 57.3 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 174.3 | -70.7 | 178.6 | 0 | 0 | 0 | 109.9 | F230 I231 L232 L237 L238 | F230-I234 HydrophobicContact CD1-CD1 3.95Å; F230-I234 HydrophobicContact CE1-CD1 3.46Å; F230-I234 VanDerWaalsContact CE1-CD1 3.46Å; F230-I234 HydrophobicContact CZ-CD1 3.97Å; F230-I234 WeakPolarHBondContact O-CG1 3.25Å; I231-I234 PolarHBondContact O-N 3.04Å; I231-I234 VanDerWaalsContact O-N 3.16Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 3Å; I234-L237 WeakPolarHBondContact O-CB 3.39Å; I234-L237 PolarHBondContact O-N 2.91Å; I234-L238 HydrophobicContact CG2-CD1 3.74Å; I234-L238 HydrophobicContact CG2-CG 4.26Å; I234-L238 WeakPolarHBondContact O-CB 3.5Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.09Å |
| 235 | L | 52.1 | Low | 54.4 | Low | 50 Ų | 50 | 93 Ų | 93 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.6 | -68.1 | 175.5 | 0 | 0 | 0 | 112.2 | I231 L232 L237 L238 E239 M268 | I231-L235 HydrophobicContact CG2-CD1 3.67Å; I231-L235 HydrophobicContact CG2-CG 4Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 2.88Å; L232-L235 PolarHBondContact O-N 3.17Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L235-L237 PolarHBondContact O-N 3.39Å; L235-L238 PolarHBondContact O-N 3.01Å; L235-L238 VanDerWaalsContact O-N 3.11Å; L235-E239 PolarHBondContact O-N 3.41Å; L235-M268 HydrophobicContact CD1-CE 3.63Å |
| 236 | D | 52.9 | Low | 51.9 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 173.6 | -96.9 | 2.7 | 0 | 0 | 0 | 111.7 | L232 N240 | L232-D236 WeakPolarHBondContact O-CB 3.48Å; L232-D236 PolarHBondContact O-N 2.86Å; D236-N240 VanDerWaalsContact O-CB 3.31Å; D236-N240 WeakPolarHBondContact O-CB 3.31Å; D236-N240 PolarHBondContact O-N 2.75Å; D236-N240 VanDerWaalsContact O-N 3.08Å; D236-N240 PolarHBondContact O-ND2 3.38Å |
| 237 | L | 55.7 | Low | 49.5 | Very low | 112 Ų | 112 | 105.9 Ų | 105.9 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 175.5 | -107.6 | 141 | 0 | 0 | 0 | 111.8 | H233 I234 L235 L241 | H233-L237 WeakPolarHBondContact O-CB 3.37Å; H233-L237 PolarHBondContact O-N 2.92Å; H233-L237 VanDerWaalsContact O-N 3.1Å; I234-L237 WeakPolarHBondContact O-CB 3.39Å; I234-L237 PolarHBondContact O-N 2.91Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L235-L237 PolarHBondContact O-N 3.39Å; L237-L241 HydrophobicContact CD2-CD1 4.47Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CD1 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.13Å; L237-L241 PolarHBondContact O-N 3.18Å |
| 238 | L | 50.1 | Low | 47.5 | Very low | 47 Ų | 47 | 109.9 Ų | 109.9 | 25% | 0.246 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -69 | -45.1 | 179.2 | -71.8 | 171.3 | 0 | 0 | 0 | 111.7 | I234 L235 N240 L241 E242 L257 | I234-L238 HydrophobicContact CG2-CD1 3.74Å; I234-L238 HydrophobicContact CG2-CG 4.26Å; I234-L238 WeakPolarHBondContact O-CB 3.5Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.09Å; L235-L238 PolarHBondContact O-N 3.01Å; L235-L238 VanDerWaalsContact O-N 3.11Å; L238-N240 VanDerWaalsContact C-N 3.33Å; L238-N240 PolarHBondContact O-N 3.06Å; L238-L241 PolarHBondContact O-N 3.06Å; L238-L241 VanDerWaalsContact O-N 3.15Å; L238-E242 PolarHBondContact O-N 3.02Å; L238-E242 VanDerWaalsContact O-N 3.1Å; L238-L257 HydrophobicContact CD1-CD1 4.41Å |
| 239 | E | 50 | Low | 45.6 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -38.9 | 175.5 | -75.8 | -172.8 | 173.5 | 0 | 0 | 112 | L235 L241 | L235-E239 PolarHBondContact O-N 3.41Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 3.22Å |
| 240 | N | 50.1 | Low | 44.2 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.9 | -20.8 | 176.4 | -77.4 | -63.2 | 0 | 0 | 0 | 113.7 | D236 L238 | D236-N240 VanDerWaalsContact O-CB 3.31Å; D236-N240 WeakPolarHBondContact O-CB 3.31Å; D236-N240 PolarHBondContact O-N 2.75Å; D236-N240 VanDerWaalsContact O-N 3.08Å; D236-N240 PolarHBondContact O-ND2 3.38Å; L238-N240 VanDerWaalsContact C-N 3.33Å; L238-N240 PolarHBondContact O-N 3.06Å |
| 241 | L | 47.2 | Very low | 42.9 | Very low | 87 Ų | 87 | 118 Ų | 118 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -80 | -39 | 175.5 | -83.4 | 163.4 | 0 | 0 | 0 | 112.1 | L237 L238 E239 Y243 R244 | L237-L241 HydrophobicContact CD2-CD1 4.47Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CD1 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.13Å; L237-L241 PolarHBondContact O-N 3.18Å; L238-L241 PolarHBondContact O-N 3.06Å; L238-L241 VanDerWaalsContact O-N 3.15Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 3.22Å; L241-Y243 PolarHBondContact O-N 3.45Å; L241-R244 PolarHBondContact O-N 3.35Å |
| 242 | E | 42.7 | Very low | 41.9 | Very low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.2 | -28.9 | 175.7 | -76.8 | -167.2 | 157.3 | 0 | 0 | 112.5 | L238 R244 | L238-E242 PolarHBondContact O-N 3.02Å; L238-E242 VanDerWaalsContact O-N 3.1Å; E242-R244 PolarHBondContact O-N 3.01Å |
| 243 | Y | 42.8 | Very low | 41 | Very low | 217 Ų | 217 | 128.6 Ų | 128.6 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -6 | -179.4 | -147.7 | -96.4 | 0 | 0 | 0 | 114.7 | L241 | L241-Y243 PolarHBondContact O-N 3.45Š|
| 244 | R | 38.1 | Very low | 39.9 | Very low | 204 Ų | 204 | 126 Ų | 126 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -121.5 | 4.8 | -167.8 | -79.7 | -170.6 | 177.3 | -167.3 | 2.6 | 117.7 | L241 E242 P246 | L241-R244 PolarHBondContact O-N 3.35Å; E242-R244 PolarHBondContact O-N 3.01Å; R244-P246 WeakPolarHBondContact O-CD 3.45Å |
| 245 | M | 31.1 | Very low | 39 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | trans | -99.6 | 114.5 | -175.9 | -72.3 | -70.8 | -150.9 | 0 | 0 | 113.9 | ||||
| 246 | P | 33.5 | Very low | 38 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -74.8 | 137.5 | 170 | 14.1 | -2.7 | 0 | 0 | 0 | 110.9 | R244 N248 | R244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-N248 PolarHBondContact O-N 3.45Å | ||
| 247 | R | 33.8 | Very low | 37.2 | Very low | 246 Ų | 246 | 137.9 Ų | 137.9 | 93% | 0.928 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -66.7 | 62.9 | 178.4 | -65.9 | -175.6 | -178.3 | -174.1 | 0.1 | 113.3 | ||
| 248 | N | 34.1 | Very low | 36.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -155 | 100.6 | 171.5 | -83.5 | -38.2 | 0 | 0 | 0 | 112.4 | P246 | P246-N248 PolarHBondContact O-N 3.45Š|
| 249 | G | 29.3 | Very low | 35.4 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 93.7 | 2.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 250 | V | 28.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | trans | -129.3 | 104 | 173.4 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | F252 | V250-F252 HydrophobicContact CB-CE2 4.34Å; V250-F252 HydrophobicContact CG1-CD2 3.78Å; V250-F252 HydrophobicContact CG1-CE2 3.41Å; V250-F252 VanDerWaalsContact CG1-CE2 3.41Å; V250-F252 HydrophobicContact CG1-CZ 4.16Å; V250-F252 PolarHBondContact O-N 3.41Å; V250-F252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | M | 26.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | -74 | 97.2 | 171.4 | -77.1 | -115.8 | -67.4 | 0 | 0 | 109.4 | ||||
| 252 | F | 28 | Very low | 33.7 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | -84 | 126 | 149.9 | -70.7 | -86.1 | 0 | 0 | 0 | 106.2 | V250 G254 | V250-F252 HydrophobicContact CB-CE2 4.34Å; V250-F252 HydrophobicContact CG1-CD2 3.78Å; V250-F252 HydrophobicContact CG1-CE2 3.41Å; V250-F252 VanDerWaalsContact CG1-CE2 3.41Å; V250-F252 HydrophobicContact CG1-CZ 4.16Å; V250-F252 PolarHBondContact O-N 3.41Å; V250-F252 VanDerWaalsContact O-N 3.16Å; F252-G254 VanDerWaalsContact C-N 3.27Å; F252-G254 PolarHBondContact O-N 3.4Å | ||
| 253 | H | 29.4 | Very low | 33.3 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 96.9 | 172.5 | -78.7 | 28.5 | 0 | 0 | 0 | 107.5 | ||||
| 254 | G | 30.3 | Very low | 33.1 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | -78.3 | 148.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F252 E256 | F252-G254 VanDerWaalsContact C-N 3.27Å; F252-G254 PolarHBondContact O-N 3.4Å; G254-E256 PolarHBondContact O-N 2.95Å; G254-E256 VanDerWaalsContact O-N 3.12Å | ||
| 255 | F | 32.3 | Very low | 33.1 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 74% | 0.741 | 68% | 0.676 | S | S | * | * | trans | -51.8 | 112.6 | 168.1 | -75.2 | -97.6 | 0 | 0 | 0 | 110 | L257 L279 | F255-L257 PolarHBondContact O-N 3.37Å; F255-L279 HydrophobicContact CD1-CD2 4.47Å; F255-L279 HydrophobicContact CE1-CD2 3.62Å; F255-L279 HydrophobicContact CZ-CD2 4.49Å | ||
| 256 | E | 31.6 | Very low | 33.2 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | trans | -78.2 | 101.6 | 164.3 | -98 | -174.8 | 169.3 | 0 | 0 | 108.5 | G254 S258 | G254-E256 PolarHBondContact O-N 2.95Å; G254-E256 VanDerWaalsContact O-N 3.12Å; E256-S258 PolarHBondContact O-N 3.1Å | ||
| 257 | L | 35.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 129 Ų | 129 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | trans | -68.4 | 109.2 | 158.9 | -75.5 | 167.8 | 0 | 0 | 0 | 107 | L238 F255 | L238-L257 HydrophobicContact CD1-CD1 4.41Å; F255-L257 PolarHBondContact O-N 3.37Å | ||
| 258 | S | 35 | Very low | 33.7 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 51% | 0.51 | 66% | 0.655 | S | S | . | * | trans | -53.6 | 151.2 | 174.7 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | E256 R260 S261 | E256-S258 PolarHBondContact O-N 3.1Å; S258-R260 PolarHBondContact O-N 2.88Å; S258-S261 VanDerWaalsContact O-CB 3.3Å; S258-S261 WeakPolarHBondContact O-CB 3.18Å; S258-S261 PolarHBondContact O-N 3.35Å; S258-S261 PolarHBondContact O-OG 3.13Å; S258-S261 VanDerWaalsContact O-OG 3.1Å | ||
| 259 | E | 34.5 | Very low | 33.8 | Very low | 191 Ų | 191 | 123.4 Ų | 123.4 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -9.5 | 178.8 | -71.6 | -178.1 | 148.9 | 0 | 0 | 115.1 | S261 | E259-S261 VanDerWaalsContact C-N 3.3Š|
| 260 | R | 35.6 | Very low | 34.1 | Very low | 208 Ų | 208 | 126.1 Ų | 126.1 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -10.7 | 169.2 | -75.5 | -177.4 | 173.3 | -177.6 | -2.3 | 114.8 | S258 S263 | S258-R260 PolarHBondContact O-N 2.88Å; R260-S263 PolarHBondContact O-OG 3.34Å |
| 261 | S | 40.6 | Very low | 34.3 | Very low | 33 Ų | 33 | 125 Ų | 125 | 23% | 0.231 | 66% | 0.66 | C | S | . | * | S | Bend | trans | -84.5 | -22.8 | -178.2 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | S258 E259 S263 V264 | S258-S261 VanDerWaalsContact O-CB 3.3Å; S258-S261 WeakPolarHBondContact O-CB 3.18Å; S258-S261 PolarHBondContact O-N 3.35Å; S258-S261 PolarHBondContact O-OG 3.13Å; S258-S261 VanDerWaalsContact O-OG 3.1Å; E259-S261 VanDerWaalsContact C-N 3.3Å; S261-S263 VanDerWaalsContact C-N 3.32Å; S261-S263 PolarHBondContact O-N 3.05Å; S261-V264 WeakPolarHBondContact O-CB 3.26Å; S261-V264 PolarHBondContact O-N 3.18Å |
| 262 | S | 33.6 | Very low | 34.5 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -18 | -179.8 | -47.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 263 | S | 34.8 | Very low | 34.9 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -18.4 | 170.1 | 62.5 | 0 | 0 | 0 | 0 | 113 | R260 S261 | R260-S263 PolarHBondContact O-OG 3.34Å; S261-S263 VanDerWaalsContact C-N 3.32Å; S261-S263 PolarHBondContact O-N 3.05Å |
| 264 | V | 39 | Very low | 35.1 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.7 | -32.2 | -177.7 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | S261 M268 | S261-V264 WeakPolarHBondContact O-CB 3.26Å; S261-V264 PolarHBondContact O-N 3.18Å; V264-M268 WeakPolarHBondContact O-CG 3.34Å |
| 265 | I | 37.5 | Very low | 35.4 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.9 | -32.5 | -177.3 | -62.6 | 173.4 | 0 | 0 | 0 | 112 | ||
| 266 | N | 34.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.5 | -13.2 | -178.5 | -82.5 | -28.9 | 0 | 0 | 0 | 114.4 | ||
| 267 | E | 38.5 | Very low | 35.5 | Very low | 143 Ų | 143 | 106.9 Ų | 106.9 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -94.8 | -8 | 178.5 | -74.4 | -177.2 | 161.2 | 0 | 0 | 113.3 | E269 N270 | E267-E269 VanDerWaalsContact C-N 3.27Å; E267-E269 PolarHBondContact O-N 3.14Å; E267-N270 PolarHBondContact O-N 3.44Å |
| 268 | M | 39.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -66.7 | -19.3 | -178.7 | -77.1 | 174.6 | 117.3 | 0 | 0 | 114.6 | L235 V264 N270 | L235-M268 HydrophobicContact CD1-CE 3.63Å; V264-M268 WeakPolarHBondContact O-CG 3.34Å; M268-N270 VanDerWaalsContact C-N 3.26Å; M268-N270 PolarHBondContact O-N 2.86Å |
| 269 | E | 36.9 | Very low | 35 | Very low | 181 Ų | 181 | 108 Ų | 108 | 85% | 0.846 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -75.1 | -10.8 | 178.1 | -66.7 | -171.9 | 153.8 | 0 | 0 | 113.7 | E267 | E267-E269 VanDerWaalsContact C-N 3.27Å; E267-E269 PolarHBondContact O-N 3.14Å |
| 270 | N | 35.6 | Very low | 34.7 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -113.6 | 28.4 | -169 | -73.4 | -42.4 | 0 | 0 | 0 | 116.1 | E267 M268 G272 | E267-N270 PolarHBondContact O-N 3.44Å; M268-N270 VanDerWaalsContact C-N 3.26Å; M268-N270 PolarHBondContact O-N 2.86Å; N270-G272 PolarHBondContact O-N 2.89Å |
| 271 | G | 32.5 | Very low | 34.3 | Very low | 85 Ų | 85 | 100.7 Ų | 100.7 | 88% | 0.876 | 59% | 0.586 | S | S | * | * | trans | 68.6 | 23.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 272 | G | 30.9 | Very low | 33.8 | Very low | 48 Ų | 48 | 106.8 Ų | 106.8 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | trans | -154.6 | 157.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N270 | N270-G272 PolarHBondContact O-N 2.89Š| ||
| 273 | W | 35.8 | Very low | 33.6 | Very low | 231 Ų | 231 | 109.4 Ų | 109.4 | 88% | 0.875 | 62% | 0.617 | S | S | * | * | trans | 116.3 | 133.1 | 157.8 | -58.4 | 97.6 | 0 | 0 | 0 | 118.2 | T295 | W273-T295 PolarHBondContact O-OG1 2.77Š| ||
| 274 | S | 33.3 | Very low | 33.4 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | trans | -73.1 | 134.1 | 170.7 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | T295 | S274-T295 WeakPolarHBondContact CA-OG1 3.28Š| ||
| 275 | S | 35.7 | Very low | 32.9 | Very low | 45 Ų | 45 | 123.2 Ų | 123.2 | 32% | 0.315 | 66% | 0.658 | S | S | . | * | trans | -113.2 | 134.3 | 171.6 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | I231 T295 | I231-S275 WeakPolarHBondContact CD1-OG 3.3Å; S275-T295 PolarHBondContact N-OG1 3.03Å; S275-T295 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 276 | S | 32.9 | Very low | 32.5 | Very low | 58 Ų | 58 | 123.1 Ų | 123.1 | 41% | 0.406 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.4 | 161.8 | 52.3 | 0 | 0 | 0 | 0 | 108.7 | E290 | S276-E290 WeakPolarHBondContact CB-OE1 3.5Å; S276-E290 PolarHBondContact OG-OE1 2.88Å |
| 277 | I | 34.6 | Very low | 32.4 | Very low | 50 Ų | 50 | 126 Ų | 126 | 26% | 0.256 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.4 | 170.4 | -67.2 | -172.4 | 0 | 0 | 0 | 107.4 | I231 L279 L293 | I231-I277 HydrophobicContact CB-CD1 4.47Å; I231-I277 HydrophobicContact CD1-CD1 3.8Å; I231-I277 HydrophobicContact CD1-CG1 4.06Å; I231-I277 HydrophobicContact CG1-CD1 3.77Å; I231-I277 HydrophobicContact CG2-CD1 4.2Å; I277-L279 HydrophobicContact CG2-CG 4.23Å; I277-L279 PolarHBondContact O-N 3.24Å; I277-L293 HydrophobicContact CB-CD1 3.96Å; I277-L293 HydrophobicContact CD1-CD1 3.61Å; I277-L293 HydrophobicContact CG1-CD1 3.86Å |
| 278 | S | 30 | Very low | 32 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 54% | 0.538 | 68% | 0.681 | S | S | . | * | trans | -87.7 | 101.4 | 171.5 | -56 | 0 | 0 | 0 | 0 | 108.9 | T280 | S278-T280 PolarHBondContact O-N 3.03Š| ||
| 279 | L | 28.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | trans | -82.4 | 90.8 | 167.5 | -78.2 | 163.6 | 0 | 0 | 0 | 108.7 | F255 I277 | F255-L279 HydrophobicContact CD1-CD2 4.47Å; F255-L279 HydrophobicContact CE1-CD2 3.62Å; F255-L279 HydrophobicContact CZ-CD2 4.49Å; I277-L279 HydrophobicContact CG2-CG 4.23Å; I277-L279 PolarHBondContact O-N 3.24Å | ||
| 280 | T | 29 | Very low | 31.4 | Very low | 115 Ų | 115 | 121 Ų | 121 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -88.4 | 108.2 | 169.3 | 38.9 | 0 | 0 | 0 | 0 | 109.5 | S278 | S278-T280 PolarHBondContact O-N 3.03Š| ||
| 281 | T | 27.3 | Very low | 31.6 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | trans | -75.4 | 125.3 | 157.9 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | L283 | T281-L283 PolarHBondContact O-N 3.44Š| ||
| 282 | E | 29.7 | Very low | 32.3 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -57.6 | 100 | 170.8 | -72.2 | -175.9 | 134 | 0 | 0 | 109.6 | ||
| 283 | L | 29.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -179.1 | 109.2 | 148.6 | -95 | 151.1 | 0 | 0 | 0 | 107.8 | T281 | T281-L283 PolarHBondContact O-N 3.44Š|
| 284 | E | 30.8 | Very low | 34.8 | Very low | 171 Ų | 171 | 115.4 Ų | 115.4 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | trans | 75.2 | 121.8 | 162.3 | -56.5 | -170 | 161.3 | 0 | 0 | 119.2 | S286 | E284-S286 PolarHBondContact O-N 3.25Š| ||
| 285 | R | 28.1 | Very low | 36.1 | Very low | 261 Ų | 261 | 112.2 Ų | 112.2 | 99% | 0.985 | 60% | 0.597 | S | S | * | * | trans | -62.2 | 88.3 | 170.5 | -74.9 | 170.8 | 162.8 | 163.8 | -4.9 | 110.5 | ||||
| 286 | S | 29.2 | Very low | 38 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -157.3 | 113.9 | 157.8 | 54 | 0 | 0 | 0 | 0 | 110.2 | E284 | E284-S286 PolarHBondContact O-N 3.25Š|
| 287 | E | 31.1 | Very low | 40.3 | Very low | 195 Ų | 195 | 113.3 Ų | 113.3 | 91% | 0.911 | 60% | 0.598 | S | S | * | * | trans | 45 | 80.9 | 169.8 | -64.8 | -174 | 165.5 | 0 | 0 | 116.8 | S289 | E287-S289 PolarHBondContact O-N 3.05Š| ||
| 288 | S | 29.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | trans | -61.9 | 114.2 | 164.5 | 26.6 | 0 | 0 | 0 | 0 | 110.7 | E290 | S288-E290 PolarHBondContact O-N 2.94Š| ||
| 289 | S | 30.8 | Very low | 45.7 | Very low | 114 Ų | 114 | 113 Ų | 113 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | trans | -80.5 | 108.3 | 166.6 | 42.5 | 0 | 0 | 0 | 0 | 109 | E287 I291 | E287-S289 PolarHBondContact O-N 3.05Å; S289-I291 PolarHBondContact O-N 3.44Å | ||
| 290 | E | 33.9 | Very low | 48.8 | Very low | 97 Ų | 97 | 107.4 Ų | 107.4 | 45% | 0.453 | 57% | 0.568 | S | S | . | * | trans | -75.8 | 111.2 | 178.5 | -164.1 | -179.1 | -157.2 | 0 | 0 | 109.4 | S276 S288 K292 | S276-E290 WeakPolarHBondContact CB-OE1 3.5Å; S276-E290 PolarHBondContact OG-OE1 2.88Å; S288-E290 PolarHBondContact O-N 2.94Å; E290-K292 PolarHBondContact O-N 2.93Å; E290-K292 VanDerWaalsContact O-N 3.15Å | ||
| 291 | I | 40.2 | Very low | 52 | Low | 110 Ų | 110 | 103.9 Ų | 103.9 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 98.5 | 170.9 | -60 | 175.5 | 0 | 0 | 0 | 107 | S289 L293 | S289-I291 PolarHBondContact O-N 3.44Å; I291-L293 HydrophobicContact CG2-CD2 4.43Å; I291-L293 PolarHBondContact O-N 3.45Å |
| 292 | K | 47.3 | Very low | 55.2 | Low | 154 Ų | 154 | 100.8 Ų | 100.8 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 111.6 | 172.3 | -72.7 | -176.1 | 177.3 | 179.3 | 0 | 109.3 | E290 | E290-K292 PolarHBondContact O-N 2.93Å; E290-K292 VanDerWaalsContact O-N 3.15Å |
| 293 | L | 53.6 | Low | 58.3 | Low | 39 Ų | 39 | 95.5 Ų | 95.5 | 20% | 0.204 | 50% | 0.5 | C | S | . | . | trans | -79.7 | 141.6 | 170.7 | -67.1 | 171.6 | 0 | 0 | 0 | 109 | F230 I231 I277 I291 T295 | F230-L293 HydrophobicContact CD1-CD1 3.95Å; F230-L293 HydrophobicContact CD1-CD2 3.8Å; F230-L293 HydrophobicContact CE1-CD2 4.47Å; I231-L293 HydrophobicContact CD1-CB 3.89Å; I231-L293 HydrophobicContact CD1-CD1 3.74Å; I231-L293 HydrophobicContact CD1-CG 4.48Å; I231-L293 HydrophobicContact CG1-CB 4.17Å; I231-L293 HydrophobicContact CG1-CD1 3.46Å; I231-L293 VanDerWaalsContact CG1-CD1 3.46Å; I231-L293 HydrophobicContact CG1-CG 4.44Å; I277-L293 HydrophobicContact CB-CD1 3.96Å; I277-L293 HydrophobicContact CD1-CD1 3.61Å; I277-L293 HydrophobicContact CG1-CD1 3.86Å; I291-L293 HydrophobicContact CG2-CD2 4.43Å; I291-L293 PolarHBondContact O-N 3.45Å; L293-T295 PolarHBondContact O-N 3.39Å | ||
| 294 | E | 64.2 | Low | 61.5 | Low | 84 Ų | 84 | 88.7 Ų | 88.7 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | trans | -96.1 | 90.8 | -173 | -57.5 | -170.8 | 160.2 | 0 | 0 | 110 | L226 D227 I299 K303 | L226-E294 HydrophobicContact CD1-CB 3.41Å; L226-E294 VanDerWaalsContact CD1-CB 3.41Å; L226-E294 HydrophobicContact CD1-CG 4.33Å; L226-E294 WeakPolarHBondContact CD1-OE2 3.46Å; D227-E294 VanDerWaalsContact O-O 3.05Å; E294-I299 HydrophobicContact CB-CD1 4.04Å; E294-K303 IonicContact OE1-NZ 2.63Å; E294-K303 PolarHBondContact OE1-NZ 2.67Å; E294-K303 IonicContact OE2-NZ 2.95Å; E294-K303 PolarHBondContact OE2-NZ 2.9Å | ||
| 295 | T | 60.7 | Low | 64.7 | Low | 24 Ų | 24 | 85.9 Ų | 85.9 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | trans | -96.3 | -16.3 | -172.9 | 56.4 | 0 | 0 | 0 | 0 | 115.9 | I228 I231 W273 S274 S275 L293 P297 | I228-T295 VanDerWaalsContact CG2-O 3.29Å; I228-T295 WeakPolarHBondContact CG2-O 3.35Å; I231-T295 HydrophobicContact CD1-CG2 3.26Å; I231-T295 HydrophobicContact CG1-CG2 4.04Å; W273-T295 PolarHBondContact O-OG1 2.77Å; S274-T295 WeakPolarHBondContact CA-OG1 3.28Å; S275-T295 PolarHBondContact N-OG1 3.03Å; S275-T295 WeakPolarHBondContact OG-CG2 3.43Å; L293-T295 PolarHBondContact O-N 3.39Å; T295-P297 VanDerWaalsContact O-CD 3.28Å; T295-P297 WeakPolarHBondContact O-CD 3.38Å | ||
| 296 | D | 76.1 | Confident | 67.9 | Low | 56 Ų | 56 | 78.3 Ų | 78.3 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | trans | -91.6 | 110.3 | -174.3 | 178.7 | 4.1 | 0 | 0 | 0 | 110.6 | S298 I299 | D296-S298 PolarHBondContact O-N 3.43Å; D296-S298 VanDerWaalsContact O-N 3.1Å; D296-S298 WeakPolarHBondContact OD1-CB 3.34Å; D296-S298 PolarHBondContact OD1-N 3.14Å; D296-S298 PolarHBondContact OD1-OG 3.48Å; D296-S298 PolarHBondContact OD2-OG 3.33Å; D296-I299 HydrophobicContact CB-CG2 4.03Å; D296-I299 VanDerWaalsContact O-CG1 3.23Å; D296-I299 WeakPolarHBondContact O-CG1 3.47Å; D296-I299 PolarHBondContact O-N 2.91Å | ||
| 297 | P | 82.4 | Confident | 71 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -58.1 | -24.7 | 177.9 | 23 | -32.4 | 0 | 0 | 0 | 113.3 | I228 T295 I299 L300 I320 | I228-P297 HydrophobicContact CD1-CB 3.61Å; I228-P297 HydrophobicContact CD1-CG 4.33Å; T295-P297 VanDerWaalsContact O-CD 3.28Å; T295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-I299 PolarHBondContact O-N 2.95Å; P297-I299 VanDerWaalsContact O-N 3.12Å; P297-L300 PolarHBondContact O-N 3.23Å; P297-I320 HydrophobicContact CB-CD1 3.72Å |
| 298 | S | 86.8 | Confident | 74.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -63.1 | -19.7 | -178 | 88.3 | 0 | 0 | 0 | 0 | 113.3 | D296 L300 P302 | D296-S298 PolarHBondContact O-N 3.43Å; D296-S298 VanDerWaalsContact O-N 3.1Å; D296-S298 WeakPolarHBondContact OD1-CB 3.34Å; D296-S298 PolarHBondContact OD1-N 3.14Å; D296-S298 PolarHBondContact OD1-OG 3.48Å; D296-S298 PolarHBondContact OD2-OG 3.33Å; S298-L300 VanDerWaalsContact C-N 3.35Å; S298-L300 PolarHBondContact O-N 3.12Å; S298-P302 WeakPolarHBondContact O-CD 3.2Å |
| 299 | I | 91 | Very high | 77.2 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -81.6 | -12.2 | -177.2 | 79.8 | -168.7 | 0 | 0 | 0 | 113.5 | L226 E294 D296 P297 P302 K303 | L226-I299 HydrophobicContact CD1-CD1 3.79Å; L226-I299 HydrophobicContact CD1-CG1 3.97Å; L226-I299 HydrophobicContact CD2-CD1 4.42Å; L226-I299 HydrophobicContact CD2-CG1 3.88Å; E294-I299 HydrophobicContact CB-CD1 4.04Å; D296-I299 HydrophobicContact CB-CG2 4.03Å; D296-I299 VanDerWaalsContact O-CG1 3.23Å; D296-I299 WeakPolarHBondContact O-CG1 3.47Å; D296-I299 PolarHBondContact O-N 2.91Å; P297-I299 PolarHBondContact O-N 2.95Å; P297-I299 VanDerWaalsContact O-N 3.12Å; I299-P302 WeakPolarHBondContact O-CD 3.4Å; I299-K303 HydrophobicContact CG1-CD 4.19Å; I299-K303 WeakPolarHBondContact O-CB 3.16Å; I299-K303 WeakPolarHBondContact O-CG 3.28Å; I299-K303 PolarHBondContact O-N 2.78Å |
| 300 | L | 93.2 | Very high | 80.2 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -53.1 | -177 | 176.6 | 62.4 | 0 | 0 | 0 | 111.6 | K224 L226 P297 S298 K303 C304 I320 F329 | K224-L300 HydrophobicContact CG-CD1 4.17Å; L226-L300 HydrophobicContact CB-CD1 4.11Å; L226-L300 HydrophobicContact CD2-CB 4.03Å; P297-L300 PolarHBondContact O-N 3.23Å; S298-L300 VanDerWaalsContact C-N 3.35Å; S298-L300 PolarHBondContact O-N 3.12Å; L300-K303 PolarHBondContact O-N 2.91Å; L300-C304 PolarHBondContact O-N 3.34Å; L300-C304 PolarHBondContact O-SG 3.44Å; L300-I320 HydrophobicContact CD2-CG1 4.13Å; L300-F329 HydrophobicContact CD2-CD2 3.81Å; L300-F329 HydrophobicContact CD2-CE2 4.16Å |
| 301 | I | 95.9 | Very high | 83.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | -177.9 | -59 | -57.6 | 0 | 0 | 0 | 111.9 | K303 C304 K305 F329 V331 V336 | I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 2.85Å; I301-C304 WeakPolarHBondContact O-CB 3.47Å; I301-C304 PolarHBondContact O-N 2.81Å; I301-C304 VanDerWaalsContact O-N 3.13Å; I301-K305 HydrophobicContact CG2-CD 4.47Å; I301-K305 PolarHBondContact O-N 3.15Å; I301-F329 HydrophobicContact CD1-CB 3.69Å; I301-F329 HydrophobicContact CD1-CD1 3.97Å; I301-F329 HydrophobicContact CD1-CD2 4.38Å; I301-F329 HydrophobicContact CD1-CG 3.75Å; I301-V331 HydrophobicContact CD1-CG2 3.84Å; I301-V336 HydrophobicContact CD1-CG1 3.82Å; I301-V336 HydrophobicContact CG1-CG1 4.47Å; I301-V336 HydrophobicContact CG2-CG2 3.84Å |
| 302 | P | 95.3 | Very high | 85.6 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -49.9 | -48 | 169.7 | -30.2 | 35.5 | 0 | 0 | 0 | 113.4 | S298 I299 C304 K305 D306 | S298-P302 WeakPolarHBondContact O-CD 3.2Å; I299-P302 WeakPolarHBondContact O-CD 3.4Å; P302-C304 VanDerWaalsContact C-N 3.31Å; P302-C304 PolarHBondContact O-N 3.04Å; P302-K305 PolarHBondContact O-N 3.06Å; P302-D306 PolarHBondContact O-N 3.04Å |
| 303 | K | 94.1 | Very high | 88 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 178.4 | -74.7 | -179.3 | -176.3 | 179.3 | 0 | 113.7 | K224 E294 I299 L300 I301 S307 | K224-K303 HydrophobicContact CD-CB 4.38Å; K224-K303 HydrophobicContact CG-CB 4.27Å; E294-K303 IonicContact OE1-NZ 2.63Å; E294-K303 PolarHBondContact OE1-NZ 2.67Å; E294-K303 IonicContact OE2-NZ 2.95Å; E294-K303 PolarHBondContact OE2-NZ 2.9Å; I299-K303 HydrophobicContact CG1-CD 4.19Å; I299-K303 WeakPolarHBondContact O-CB 3.16Å; I299-K303 WeakPolarHBondContact O-CG 3.28Å; I299-K303 PolarHBondContact O-N 2.78Å; L300-K303 PolarHBondContact O-N 2.91Å; I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 2.85Å; K303-S307 WeakPolarHBondContact O-CB 3.38Å; K303-S307 PolarHBondContact O-N 2.84Å; K303-S307 VanDerWaalsContact O-N 3.09Å |
| 304 | C | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 173.4 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | L300 I301 P302 D306 S307 L308 V316 V331 | L300-C304 PolarHBondContact O-N 3.34Å; L300-C304 PolarHBondContact O-SG 3.44Å; I301-C304 WeakPolarHBondContact O-CB 3.47Å; I301-C304 PolarHBondContact O-N 2.81Å; I301-C304 VanDerWaalsContact O-N 3.13Å; P302-C304 VanDerWaalsContact C-N 3.31Å; P302-C304 PolarHBondContact O-N 3.04Å; C304-D306 PolarHBondContact O-N 3.3Å; C304-S307 WeakPolarHBondContact O-CB 3.47Å; C304-S307 PolarHBondContact O-N 3.18Å; C304-L308 PolarHBondContact O-N 3.37Å; C304-V316 HydrophobicContact CB-CB 4.05Å; C304-V316 HydrophobicContact CB-CG1 3.76Å; C304-V316 VanDerWaalsContact SG-CG1 3.59Å; C304-V331 HydrophobicContact CB-CB 3.8Å; C304-V331 HydrophobicContact CB-CG1 3.84Å; C304-V331 HydrophobicContact CB-CG2 3.69Å |
| 305 | K | 97.3 | Very high | 91.6 | Very high | 111 Ų | 111 | 53 Ų | 53 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.8 | -71.2 | -176.5 | 175 | -175.4 | 0 | 112.6 | I301 P302 S307 L308 K309 V331 | I301-K305 HydrophobicContact CG2-CD 4.47Å; I301-K305 PolarHBondContact O-N 3.15Å; P302-K305 PolarHBondContact O-N 3.06Å; K305-S307 VanDerWaalsContact C-N 3.33Å; K305-S307 PolarHBondContact O-N 2.78Å; K305-L308 PolarHBondContact O-N 3.42Å; K305-K309 WeakPolarHBondContact O-CB 3.26Å; K305-K309 PolarHBondContact O-N 3.49Å; K305-V331 HydrophobicContact CG-CG1 3.93Å |
| 306 | D | 95.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 175.1 | -74.1 | -19.2 | 0 | 0 | 0 | 112 | P302 C304 K309 K310 | P302-D306 PolarHBondContact O-N 3.04Å; C304-D306 PolarHBondContact O-N 3.3Å; D306-K309 PolarHBondContact O-N 3.3Å; D306-K310 WeakPolarHBondContact O-CB 3.44Å; D306-K310 PolarHBondContact O-N 3.48Å |
| 307 | S | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | K303 C304 K305 K310 Y311 | K303-S307 WeakPolarHBondContact O-CB 3.38Å; K303-S307 PolarHBondContact O-N 2.84Å; K303-S307 VanDerWaalsContact O-N 3.09Å; C304-S307 WeakPolarHBondContact O-CB 3.47Å; C304-S307 PolarHBondContact O-N 3.18Å; K305-S307 VanDerWaalsContact C-N 3.33Å; K305-S307 PolarHBondContact O-N 2.78Å; S307-K310 PolarHBondContact O-N 2.99Å; S307-Y311 VanDerWaalsContact O-CD2 3.25Å; S307-Y311 WeakPolarHBondContact O-CD2 3.47Å; S307-Y311 PolarHBondContact O-N 3.1Å |
| 308 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 175.2 | -72.3 | 172.6 | 0 | 0 | 0 | 111.6 | C304 K305 K310 S312 H313 V316 V331 T332 | C304-L308 PolarHBondContact O-N 3.37Å; K305-L308 PolarHBondContact O-N 3.42Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.89Å; L308-S312 VanDerWaalsContact O-CA 3.25Å; L308-S312 WeakPolarHBondContact O-CA 3.25Å; L308-S312 PolarHBondContact O-N 2.62Å; L308-H313 VanDerWaalsContact CD2-O 3.27Å; L308-H313 WeakPolarHBondContact CD2-O 3.44Å; L308-V316 HydrophobicContact CD2-CG2 3.77Å; L308-V316 HydrophobicContact CG-CB 4.5Å; L308-V316 HydrophobicContact CG-CG2 3.68Å; L308-V331 HydrophobicContact CD1-CG1 3.88Å; L308-V331 WeakPolarHBondContact CD1-O 3.33Å; L308-T332 VanDerWaalsContact CD1-O 3.28Å; L308-T332 WeakPolarHBondContact CD1-O 3.47Å |
| 309 | K | 95.4 | Very high | 95.5 | Very high | 169 Ų | 169 | 42.2 Ų | 42.2 | 74% | 0.735 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.1 | -39.9 | 178.7 | -176.3 | 178.5 | 179.5 | -179.1 | 0 | 112.1 | K305 D306 | K305-K309 WeakPolarHBondContact O-CB 3.26Å; K305-K309 PolarHBondContact O-N 3.49Å; D306-K309 PolarHBondContact O-N 3.3Å |
| 310 | K | 93.9 | Very high | 95.4 | Very high | 141 Ų | 141 | 41.2 Ų | 41.2 | 61% | 0.613 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72.7 | -37.9 | -176.8 | -177 | 173.3 | -178.6 | 175.9 | 0 | 113.1 | D306 S307 L308 | D306-K310 WeakPolarHBondContact O-CB 3.44Å; D306-K310 PolarHBondContact O-N 3.48Å; S307-K310 PolarHBondContact O-N 2.99Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.89Å |
| 311 | Y | 93.9 | Very high | 95 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -114.1 | -6.2 | -170.7 | -57.1 | -61.8 | 0 | 0 | 0 | 114.3 | K205 L207 V211 S307 H313 | K205-Y311 HydrophobicContact CB-CE1 4.25Å; L207-Y311 HydrophobicContact CB-CD1 4.17Å; L207-Y311 HydrophobicContact CB-CD2 4.41Å; L207-Y311 HydrophobicContact CB-CE1 4.46Å; L207-Y311 HydrophobicContact CB-CG 4.13Å; L207-Y311 HydrophobicContact CD2-CD2 3.61Å; L207-Y311 HydrophobicContact CD2-CE2 4.24Å; L207-Y311 HydrophobicContact CD2-CG 3.87Å; L207-Y311 HydrophobicContact CG-CD1 4.41Å; L207-Y311 HydrophobicContact CG-CD2 4.17Å; L207-Y311 HydrophobicContact CG-CG 3.91Å; V211-Y311 WeakPolarHBondContact CG1-O 3.25Å; S307-Y311 VanDerWaalsContact O-CD2 3.25Å; S307-Y311 WeakPolarHBondContact O-CD2 3.47Å; S307-Y311 PolarHBondContact O-N 3.1Å; Y311-H313 PolarHBondContact O-N 3.39Å; Y311-H313 VanDerWaalsContact O-N 3.1Å |
| 312 | S | 93.8 | Very high | 94.4 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | trans | 54.8 | 27.2 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 115.4 | L308 | L308-S312 VanDerWaalsContact O-CA 3.25Å; L308-S312 WeakPolarHBondContact O-CA 3.25Å; L308-S312 PolarHBondContact O-N 2.62Å | ||
| 313 | H | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -85.3 | 173.4 | 172.5 | 64.6 | -65.8 | 0 | 0 | 0 | 111.2 | V211 V220 S222 L308 Y311 L315 V316 H333 | V211-H313 HydrophobicContact CG2-CB 3.82Å; V220-H313 HydrophobicContact CB-CB 3.93Å; V220-H313 HydrophobicContact CG1-CB 4.08Å; V220-H313 PolarHBondContact O-CD2 2.95Å; S222-H313 PolarHBondContact OG-NE2 3.46Å; L308-H313 VanDerWaalsContact CD2-O 3.27Å; L308-H313 WeakPolarHBondContact CD2-O 3.44Å; Y311-H313 PolarHBondContact O-N 3.39Å; Y311-H313 VanDerWaalsContact O-N 3.1Å; H313-L315 PolarHBondContact CD2-O 2.97Å; H313-L315 PolarHBondContact NE2-O 3.23Å; H313-V316 WeakPolarHBondContact NE2-CG2 3.42Å; H313-H333 PolarHBondContact O-NE2 3.43Å | ||
| 314 | Q | 97 | Very high | 93.7 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -86.6 | -34.7 | -165.2 | -66.1 | 73.8 | 23.2 | 0 | 0 | 113.8 | F219 V220 | F219-Q314 HydrophobicContact CD2-CB 3.79Å; F219-Q314 HydrophobicContact CD2-CG 3.81Å; F219-Q314 HydrophobicContact CE1-CB 4.33Å; F219-Q314 HydrophobicContact CE2-CB 3.5Å; F219-Q314 HydrophobicContact CE2-CG 3.93Å; F219-Q314 HydrophobicContact CG-CB 4.35Å; F219-Q314 HydrophobicContact CZ-CB 3.81Å; V220-Q314 PolarHBondContact O-N 2.78Å |
| 315 | L | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 133.1 | -172.1 | 178.5 | 66.8 | 0 | 0 | 0 | 112.2 | F219 V220 V221 S222 H313 I317 F330 T332 L360 L363 | F219-L315 HydrophobicContact CE1-CB 4.12Å; F219-L315 HydrophobicContact CE1-CD2 4.33Å; F219-L315 HydrophobicContact CZ-CB 4.23Å; V220-L315 PolarHBondContact O-N 3.48Å; V221-L315 WeakPolarHBondContact CA-O 3.18Å; V221-L315 HydrophobicContact CG1-CB 4.35Å; V221-L315 HydrophobicContact CG1-CD2 3.94Å; V221-L315 HydrophobicContact CG1-CG 4.1Å; V221-L315 HydrophobicContact CG2-CB 4.26Å; V221-L315 HydrophobicContact CG2-CD2 4.08Å; S222-L315 PolarHBondContact N-O 3.03Å; H313-L315 PolarHBondContact CD2-O 2.97Å; H313-L315 PolarHBondContact NE2-O 3.23Å; L315-I317 HydrophobicContact CD2-CD1 4.21Å; L315-I317 HydrophobicContact CD2-CG1 4.04Å; L315-I317 HydrophobicContact CG-CG1 4.14Å; L315-F330 HydrophobicContact CD1-CB 3.92Å; L315-F330 HydrophobicContact CD1-CD1 3.81Å; L315-F330 HydrophobicContact CD1-CG 4.02Å; L315-F330 HydrophobicContact CD2-CD1 3.72Å; L315-F330 HydrophobicContact CD2-CE1 3.71Å; L315-F330 HydrophobicContact CD2-CG 4.47Å; L315-F330 HydrophobicContact CD2-CZ 4.44Å; L315-F330 HydrophobicContact CG-CD1 4.4Å; L315-T332 HydrophobicContact CD1-CG2 3.95Å; L315-L360 HydrophobicContact CD2-CD1 4.08Å; L315-L363 HydrophobicContact CD2-CD1 4.19Å |
| 316 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129 | 162.5 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | S222 K224 C304 L308 H313 V331 | S222-V316 CarbonylContact O-C 3.53Å; S222-V316 WeakPolarHBondContact O-CA 3.5Å; K224-V316 HydrophobicContact CB-CG1 3.91Å; C304-V316 HydrophobicContact CB-CB 4.05Å; C304-V316 HydrophobicContact CB-CG1 3.76Å; C304-V316 VanDerWaalsContact SG-CG1 3.59Å; L308-V316 HydrophobicContact CD2-CG2 3.77Å; L308-V316 HydrophobicContact CG-CB 4.5Å; L308-V316 HydrophobicContact CG-CG2 3.68Å; H313-V316 WeakPolarHBondContact NE2-CG2 3.42Å; V316-V331 HydrophobicContact CB-CB 4.49Å; V316-V331 PolarHBondContact N-O 3.01Å; V316-V331 PolarHBondContact O-N 3.47Å |
| 317 | I | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 106.2 | 169.2 | -59.4 | 174.2 | 0 | 0 | 0 | 107.8 | Y169 V221 S222 F223 K224 L315 V328 F329 F330 I356 | Y169-I317 HydrophobicContact CE2-CD1 4.2Å; V221-I317 HydrophobicContact CG1-CD1 3.75Å; V221-I317 HydrophobicContact CG1-CG1 3.92Å; S222-I317 PolarHBondContact O-N 2.87Å; F223-I317 WeakPolarHBondContact CA-O 3.45Å; F223-I317 HydrophobicContact CD1-CB 3.88Å; F223-I317 HydrophobicContact CD1-CG2 4.04Å; F223-I317 HydrophobicContact CE1-CB 3.52Å; F223-I317 HydrophobicContact CE1-CD1 4.03Å; F223-I317 HydrophobicContact CE1-CG1 4.34Å; F223-I317 HydrophobicContact CE1-CG2 3.51Å; F223-I317 HydrophobicContact CE2-CD1 4.32Å; F223-I317 HydrophobicContact CZ-CB 3.92Å; F223-I317 HydrophobicContact CZ-CD1 3.6Å; F223-I317 HydrophobicContact CZ-CG1 4.27Å; F223-I317 HydrophobicContact CZ-CG2 4.21Å; K224-I317 PolarHBondContact N-O 2.94Å; L315-I317 HydrophobicContact CD2-CD1 4.21Å; L315-I317 HydrophobicContact CD2-CG1 4.04Å; L315-I317 HydrophobicContact CG-CG1 4.14Å; I317-V328 HydrophobicContact CG2-CB 3.81Å; I317-V328 HydrophobicContact CG2-CG1 4.22Å; I317-V328 HydrophobicContact CG2-CG2 4.02Å; I317-F329 WeakPolarHBondContact CA-O 3.34Å; I317-F330 HydrophobicContact CD1-CD2 4.35Å; I317-F330 HydrophobicContact CD1-CE1 4.4Å; I317-F330 HydrophobicContact CD1-CE2 3.64Å; I317-F330 HydrophobicContact CD1-CZ 3.68Å; I317-F330 HydrophobicContact CG1-CD2 3.98Å; I317-F330 HydrophobicContact CG1-CE2 3.77Å; I317-F330 HydrophobicContact CG1-CG 4.49Å; I317-F330 HydrophobicContact CG1-CZ 4.15Å; I317-F330 HydrophobicContact CG2-CD2 4.36Å; I317-F330 HydrophobicContact CG2-CE2 4.19Å; I317-I356 HydrophobicContact CD1-CG2 3.98Å |
| 318 | G | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K224 V328 F329 | K224-G318 CarbonylContact O-C 3.57Å; K224-G318 VanDerWaalsContact O-CA 3.3Å; K224-G318 WeakPolarHBondContact O-CA 3.2Å; G318-V328 CarbonylContact O-C 3.54Å; G318-V328 WeakPolarHBondContact O-CA 3.47Å; G318-F329 PolarHBondContact N-O 2.89Å; G318-F329 PolarHBondContact O-N 3.45Å |
| 319 | N | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151.5 | 166.8 | 69.1 | -106.1 | 0 | 0 | 0 | 111.5 | R62 K224 I225 L226 R324 V328 | R62-N319 PolarHBondContact NH2-OD1 3.12Å; K224-N319 PolarHBondContact O-N 3.42Å; I225-N319 WeakPolarHBondContact CA-O 3.34Å; L226-N319 PolarHBondContact N-O 3.39Å; N319-R324 HydrophobicContact CB-CB 4.41Å; N319-R324 WeakPolarHBondContact ND2-CB 3.04Å; N319-V328 HydrophobicContact CB-CB 4.48Å; N319-V328 HydrophobicContact CB-CG1 3.99Å |
| 320 | I | 89.3 | Confident | 93.3 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 142.9 | 162.7 | -66.9 | 173.2 | 0 | 0 | 0 | 107.4 | L226 I228 P297 L300 E322 D323 R324 | L226-I320 CarbonylContact O-C 3.5Å; L226-I320 WeakPolarHBondContact O-CA 3.45Å; I228-I320 HydrophobicContact CD1-CD1 3.89Å; I228-I320 HydrophobicContact CD1-CG1 3.98Å; I228-I320 HydrophobicContact CD1-CG2 3.82Å; I228-I320 HydrophobicContact CG1-CG2 4.32Å; P297-I320 HydrophobicContact CB-CD1 3.72Å; L300-I320 HydrophobicContact CD2-CG1 4.13Å; I320-E322 VanDerWaalsContact C-N 3.3Å; I320-E322 WeakPolarHBondContact CG2-OE2 2.93Å; I320-E322 PolarHBondContact O-N 3.5Å; I320-D323 HydrophobicContact CB-CB 4.43Å; I320-D323 PolarHBondContact O-N 3.28Å; I320-R324 PolarHBondContact O-N 3.02Å |
| 321 | L | 84.5 | Confident | 93.5 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -44.6 | -171.3 | 179.1 | 65.6 | 0 | 0 | 0 | 110.2 | I225 L226 D227 R324 | I225-L321 HydrophobicContact CG2-CB 3.98Å; I225-L321 HydrophobicContact CG2-CD1 3.93Å; L226-L321 PolarHBondContact O-N 3.25Å; D227-L321 HydrophobicContact CB-CB 4.26Å; D227-L321 HydrophobicContact CB-CD2 3.96Å; D227-L321 VanDerWaalsContact CG-CD2 3.42Å; D227-L321 VanDerWaalsContact OD2-CD2 3.3Å; D227-L321 WeakPolarHBondContact OD2-CD2 3.24Å; L321-R324 VanDerWaalsContact O-CB 3.29Å; L321-R324 WeakPolarHBondContact O-CB 3.12Å; L321-R324 WeakPolarHBondContact O-CD 3.33Å; L321-R324 WeakPolarHBondContact O-CG 3.44Å; L321-R324 PolarHBondContact O-N 3.36Å; L321-R324 PolarHBondContact O-NH1 2.97Å |
| 322 | E | 83.7 | Confident | 93.7 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.271 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -40.6 | -175.1 | -58 | 78.2 | -161.8 | 0 | 0 | 111.3 | I228 L229 I320 R324 | I228-E322 PolarHBondContact N-OE1 3Å; L229-E322 HydrophobicContact CB-CG 3.96Å; L229-E322 VanDerWaalsContact CB-OE1 3.24Å; L229-E322 WeakPolarHBondContact CB-OE1 3.45Å; L229-E322 HydrophobicContact CD1-CB 4.44Å; L229-E322 HydrophobicContact CD1-CG 3.49Å; L229-E322 VanDerWaalsContact CD1-CG 3.49Å; L229-E322 HydrophobicContact CD2-CG 3.97Å; L229-E322 HydrophobicContact CG-CG 3.95Å; L229-E322 PolarHBondContact N-OE1 3.13Å; I320-E322 VanDerWaalsContact C-N 3.3Å; I320-E322 WeakPolarHBondContact CG2-OE2 2.93Å; I320-E322 PolarHBondContact O-N 3.5Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.35Å |
| 323 | D | 87.6 | Confident | 93.8 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 2.8 | -178.3 | -59.6 | -38.1 | 0 | 0 | 0 | 113.7 | I320 K325 V326 E327 | I320-D323 HydrophobicContact CB-CB 4.43Å; I320-D323 PolarHBondContact O-N 3.28Å; D323-K325 PolarHBondContact O-N 2.81Å; D323-V326 HydrophobicContact CB-CG2 4.02Å; D323-V326 WeakPolarHBondContact O-CG2 3.16Å; D323-V326 PolarHBondContact O-N 2.88Å; D323-E327 HydrophobicContact CB-CB 4.5Å; D323-E327 PolarHBondContact O-N 3.15Å |
| 324 | R | 86.9 | Confident | 93.7 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 36% | 0.362 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -22.4 | -172.3 | 73.7 | -173.6 | 175.2 | -83.8 | 8.7 | 115.5 | R62 N319 I320 L321 E322 | R62-R324 PolarHBondContact NH1-O 2.85Å; R62-R324 PolarHBondContact NH2-O 3.18Å; N319-R324 HydrophobicContact CB-CB 4.41Å; N319-R324 WeakPolarHBondContact ND2-CB 3.04Å; I320-R324 PolarHBondContact O-N 3.02Å; L321-R324 VanDerWaalsContact O-CB 3.29Å; L321-R324 WeakPolarHBondContact O-CB 3.12Å; L321-R324 WeakPolarHBondContact O-CD 3.33Å; L321-R324 WeakPolarHBondContact O-CG 3.44Å; L321-R324 PolarHBondContact O-N 3.36Å; L321-R324 PolarHBondContact O-NH1 2.97Å; E322-R324 VanDerWaalsContact C-N 3.32Å; E322-R324 PolarHBondContact O-N 3.35Å |
| 325 | K | 89.4 | Confident | 93.7 | Very high | 138 Ų | 138 | 43.9 Ų | 43.9 | 60% | 0.6 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -15.7 | -180 | -65.5 | -176.6 | -179.6 | 176 | 0 | 113.6 | D323 I352 | D323-K325 PolarHBondContact O-N 2.81Å; K325-I352 WeakPolarHBondContact O-CB 3.46Å; K325-I352 WeakPolarHBondContact O-CG2 3.41Å |
| 326 | V | 91.5 | Very high | 93.6 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -23.6 | -171.5 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | D323 R340 L341 I352 | D323-V326 HydrophobicContact CB-CG2 4.02Å; D323-V326 WeakPolarHBondContact O-CG2 3.16Å; D323-V326 PolarHBondContact O-N 2.88Å; V326-R340 CarbonylContact O-C 3.53Å; V326-R340 WeakPolarHBondContact O-CA 3.4Å; V326-L341 HydrophobicContact CG1-CD2 4.44Å; V326-L341 PolarHBondContact O-N 3.1Å; V326-I352 VanDerWaalsContact C-CD1 3.46Å |
| 327 | E | 94.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.2 | 175.6 | -172.6 | 178.4 | -118.8 | 0 | 0 | 111.7 | D323 F329 I339 R340 | D323-E327 HydrophobicContact CB-CB 4.5Å; D323-E327 PolarHBondContact O-N 3.15Å; E327-F329 HydrophobicContact CG-CE2 3.97Å; E327-F329 HydrophobicContact CG-CZ 4.08Å; E327-F329 VanDerWaalsContact OE2-CE2 3.26Å; E327-F329 WeakPolarHBondContact OE2-CE2 3.26Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.36Å; E327-I339 WeakPolarHBondContact CA-O 3.47Å; E327-R340 HydrophobicContact CB-CG 4.38Å; E327-R340 HydrophobicContact CG-CG 3.9Å; E327-R340 IonicContact OE1-CZ 2.81Å; E327-R340 VanDerWaalsContact OE1-CZ 3.25Å; E327-R340 IonicContact OE1-NE 3.58Å; E327-R340 PolarHBondContact OE1-NE 3.43Å; E327-R340 IonicContact OE1-NH2 2.66Å; E327-R340 PolarHBondContact OE1-NH2 2.66Å |
| 328 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.3 | 163.5 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | I317 G318 N319 F330 I339 I352 I356 | I317-V328 HydrophobicContact CG2-CB 3.81Å; I317-V328 HydrophobicContact CG2-CG1 4.22Å; I317-V328 HydrophobicContact CG2-CG2 4.02Å; G318-V328 CarbonylContact O-C 3.54Å; G318-V328 WeakPolarHBondContact O-CA 3.47Å; N319-V328 HydrophobicContact CB-CB 4.48Å; N319-V328 HydrophobicContact CB-CG1 3.99Å; V328-F330 HydrophobicContact CG2-CD2 4.16Å; V328-F330 HydrophobicContact CG2-CE2 4.04Å; V328-I339 HydrophobicContact CG2-CB 3.85Å; V328-I339 HydrophobicContact CG2-CG2 4.49Å; V328-I339 PolarHBondContact N-O 2.82Å; V328-I339 PolarHBondContact O-N 3.09Å; V328-I352 HydrophobicContact CG1-CD1 3.97Å; V328-I352 HydrophobicContact CG2-CD1 4.29Å; V328-I356 HydrophobicContact CG1-CD1 3.92Å; V328-I356 HydrophobicContact CG2-CD1 3.9Å; V328-I356 HydrophobicContact CG2-CG1 3.81Å |
| 329 | F | 97.7 | Very high | 93.4 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.9 | 176.3 | -62.2 | -90 | 0 | 0 | 0 | 109.7 | L300 I301 I317 G318 E327 V331 V336 P338 | L300-F329 HydrophobicContact CD2-CD2 3.81Å; L300-F329 HydrophobicContact CD2-CE2 4.16Å; I301-F329 HydrophobicContact CD1-CB 3.69Å; I301-F329 HydrophobicContact CD1-CD1 3.97Å; I301-F329 HydrophobicContact CD1-CD2 4.38Å; I301-F329 HydrophobicContact CD1-CG 3.75Å; I317-F329 WeakPolarHBondContact CA-O 3.34Å; G318-F329 PolarHBondContact N-O 2.89Å; G318-F329 PolarHBondContact O-N 3.45Å; E327-F329 HydrophobicContact CG-CE2 3.97Å; E327-F329 HydrophobicContact CG-CZ 4.08Å; E327-F329 VanDerWaalsContact OE2-CE2 3.26Å; E327-F329 WeakPolarHBondContact OE2-CE2 3.26Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.36Å; F329-V331 HydrophobicContact CB-CG2 4.24Å; F329-V331 PolarHBondContact O-N 3.44Å; F329-V336 HydrophobicContact CD1-CG1 4.32Å; F329-P338 HydrophobicContact CD1-CB 4.02Å; F329-P338 HydrophobicContact CE1-CB 3.95Å |
| 330 | F | 98.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.6 | 168.7 | -86.4 | -133.8 | 0 | 0 | 0 | 108 | L315 I317 V328 V336 E337 I339 I356 R359 L363 | L315-F330 HydrophobicContact CD1-CB 3.92Å; L315-F330 HydrophobicContact CD1-CD1 3.81Å; L315-F330 HydrophobicContact CD1-CG 4.02Å; L315-F330 HydrophobicContact CD2-CD1 3.72Å; L315-F330 HydrophobicContact CD2-CE1 3.71Å; L315-F330 HydrophobicContact CD2-CG 4.47Å; L315-F330 HydrophobicContact CD2-CZ 4.44Å; L315-F330 HydrophobicContact CG-CD1 4.4Å; I317-F330 HydrophobicContact CD1-CD2 4.35Å; I317-F330 HydrophobicContact CD1-CE1 4.4Å; I317-F330 HydrophobicContact CD1-CE2 3.64Å; I317-F330 HydrophobicContact CD1-CZ 3.68Å; I317-F330 HydrophobicContact CG1-CD2 3.98Å; I317-F330 HydrophobicContact CG1-CE2 3.77Å; I317-F330 HydrophobicContact CG1-CG 4.49Å; I317-F330 HydrophobicContact CG1-CZ 4.15Å; I317-F330 HydrophobicContact CG2-CD2 4.36Å; I317-F330 HydrophobicContact CG2-CE2 4.19Å; V328-F330 HydrophobicContact CG2-CD2 4.16Å; V328-F330 HydrophobicContact CG2-CE2 4.04Å; F330-V336 CarbonylContact O-C 3.54Å; F330-V336 WeakPolarHBondContact O-CA 3.18Å; F330-E337 HydrophobicContact CB-CB 4.17Å; F330-E337 PolarHBondContact N-O 3.31Å; F330-E337 PolarHBondContact O-N 2.82Å; F330-I339 HydrophobicContact CD1-CD1 4.29Å; F330-I339 HydrophobicContact CD2-CD1 3.42Å; F330-I339 VanDerWaalsContact CD2-CD1 3.42Å; F330-I339 HydrophobicContact CD2-CG1 3.98Å; F330-I339 HydrophobicContact CE1-CD1 4.15Å; F330-I339 HydrophobicContact CE2-CD1 3.26Å; F330-I339 HydrophobicContact CE2-CG1 4.24Å; F330-I339 HydrophobicContact CG-CD1 3.96Å; F330-I339 HydrophobicContact CZ-CD1 3.65Å; F330-I356 HydrophobicContact CE2-CB 4.48Å; F330-I356 HydrophobicContact CE2-CG1 4.28Å; F330-I356 HydrophobicContact CE2-CG2 4.16Å; F330-I356 HydrophobicContact CZ-CB 4.42Å; F330-I356 HydrophobicContact CZ-CG2 3.97Å; F330-R359 HydrophobicContact CD1-CG 3.83Å; F330-R359 HydrophobicContact CE1-CB 3.93Å; F330-R359 HydrophobicContact CE1-CG 3.64Å; F330-R359 HydrophobicContact CZ-CB 4.25Å; F330-R359 HydrophobicContact CZ-CG 4.36Å; F330-L363 HydrophobicContact CD1-CD1 3.81Å; F330-L363 HydrophobicContact CE1-CD1 4.12Å |
| 331 | V | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.6 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | I301 C304 K305 L308 V316 F329 V336 | I301-V331 HydrophobicContact CD1-CG2 3.84Å; C304-V331 HydrophobicContact CB-CB 3.8Å; C304-V331 HydrophobicContact CB-CG1 3.84Å; C304-V331 HydrophobicContact CB-CG2 3.69Å; K305-V331 HydrophobicContact CG-CG1 3.93Å; L308-V331 HydrophobicContact CD1-CG1 3.88Å; L308-V331 WeakPolarHBondContact CD1-O 3.33Å; V316-V331 HydrophobicContact CB-CB 4.49Å; V316-V331 PolarHBondContact N-O 3.01Å; V316-V331 PolarHBondContact O-N 3.47Å; F329-V331 HydrophobicContact CB-CG2 4.24Å; F329-V331 PolarHBondContact O-N 3.44Å; V331-V336 HydrophobicContact CG1-CG2 4.2Å; V331-V336 HydrophobicContact CG2-CG1 4.34Å; V331-V336 HydrophobicContact CG2-CG2 4.38Å |
| 332 | T | 97.7 | Very high | 93 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | trans | -106.7 | 180 | 169.8 | 67.5 | 0 | 0 | 0 | 0 | 109.3 | L308 L315 D334 A335 | L308-T332 VanDerWaalsContact CD1-O 3.28Å; L308-T332 WeakPolarHBondContact CD1-O 3.47Å; L315-T332 HydrophobicContact CD1-CG2 3.95Å; T332-D334 PolarHBondContact O-N 3.32Å; T332-A335 PolarHBondContact N-O 2.93Å; T332-A335 PolarHBondContact OG1-N 3.31Å; T332-A335 VanDerWaalsContact OG1-N 3.09Å; T332-A335 PolarHBondContact OG1-O 2.82Å | ||
| 333 | H | 95.4 | Very high | 92.7 | Very high | 101 Ų | 101 | 64 Ų | 64 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -61.7 | -32 | 177.1 | -70 | -86 | 0 | 0 | 0 | 112.3 | H313 | H313-H333 PolarHBondContact O-NE2 3.43Š|
| 334 | D | 94.7 | Very high | 91.8 | Very high | 160 Ų | 160 | 64.1 Ų | 64.1 | 86% | 0.856 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -111.3 | -14.8 | -170.1 | -53 | -50 | 0 | 0 | 0 | 113.7 | T332 | T332-D334 PolarHBondContact O-N 3.32Š|
| 335 | A | 96.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 63 Ų | 63 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -143.6 | 155 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | T332 | T332-A335 PolarHBondContact N-O 2.93Å; T332-A335 PolarHBondContact OG1-N 3.31Å; T332-A335 VanDerWaalsContact OG1-N 3.09Å; T332-A335 PolarHBondContact OG1-O 2.82Å | ||
| 336 | V | 97.4 | Very high | 89.4 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.3 | 167.3 | 178.1 | 0 | 0 | 0 | 0 | 106.9 | I301 F329 F330 V331 | I301-V336 HydrophobicContact CD1-CG1 3.82Å; I301-V336 HydrophobicContact CG1-CG1 4.47Å; I301-V336 HydrophobicContact CG2-CG2 3.84Å; F329-V336 HydrophobicContact CD1-CG1 4.32Å; F330-V336 CarbonylContact O-C 3.54Å; F330-V336 WeakPolarHBondContact O-CA 3.18Å; V331-V336 HydrophobicContact CG1-CG2 4.2Å; V331-V336 HydrophobicContact CG2-CG1 4.34Å; V331-V336 HydrophobicContact CG2-CG2 4.38Å |
| 337 | E | 96.7 | Very high | 88.2 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.6 | -177.4 | -178.8 | -174.8 | 165.8 | 0 | 0 | 109.3 | F330 R359 | F330-E337 HydrophobicContact CB-CB 4.17Å; F330-E337 PolarHBondContact N-O 3.31Å; F330-E337 PolarHBondContact O-N 2.82Å; E337-R359 VanDerWaalsContact CD-NE 3.34Å; E337-R359 IonicContact OE1-CZ 3.61Å; E337-R359 IonicContact OE1-NE 3.21Å; E337-R359 PolarHBondContact OE1-NE 2.85Å; E337-R359 IonicContact OE1-NH2 2.79Å; E337-R359 IonicContact OE2-CZ 3.13Å; E337-R359 IonicContact OE2-NE 2.92Å; E337-R359 PolarHBondContact OE2-NE 3.1Å; E337-R359 IonicContact OE2-NH2 2.77Å; E337-R359 PolarHBondContact OE2-NH2 3.11Å |
| 338 | P | 96.1 | Very high | 86.7 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 40% | 0.403 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.3 | 171.9 | 29.2 | -32.1 | 0 | 0 | 0 | 110.5 | F329 | F329-P338 HydrophobicContact CD1-CB 4.02Å; F329-P338 HydrophobicContact CE1-CB 3.95Å |
| 339 | I | 94.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.2 | 167.6 | -58.4 | -172.8 | 0 | 0 | 0 | 107.3 | E327 V328 F330 F355 R359 | E327-I339 WeakPolarHBondContact CA-O 3.47Å; V328-I339 HydrophobicContact CG2-CB 3.85Å; V328-I339 HydrophobicContact CG2-CG2 4.49Å; V328-I339 PolarHBondContact N-O 2.82Å; V328-I339 PolarHBondContact O-N 3.09Å; F330-I339 HydrophobicContact CD1-CD1 4.29Å; F330-I339 HydrophobicContact CD2-CD1 3.42Å; F330-I339 VanDerWaalsContact CD2-CD1 3.42Å; F330-I339 HydrophobicContact CD2-CG1 3.98Å; F330-I339 HydrophobicContact CE1-CD1 4.15Å; F330-I339 HydrophobicContact CE2-CD1 3.26Å; F330-I339 HydrophobicContact CE2-CG1 4.24Å; F330-I339 HydrophobicContact CG-CD1 3.96Å; F330-I339 HydrophobicContact CZ-CD1 3.65Å; I339-F355 HydrophobicContact CG2-CB 3.67Å; I339-R359 HydrophobicContact CD1-CB 3.86Å; I339-R359 HydrophobicContact CD1-CG 4.01Å |
| 340 | R | 92.4 | Very high | 84.6 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136 | -179.9 | -66 | 167.4 | 173.9 | 169 | -2.3 | 110 | V326 E327 Q342 D343 | V326-R340 CarbonylContact O-C 3.53Å; V326-R340 WeakPolarHBondContact O-CA 3.4Å; E327-R340 HydrophobicContact CB-CG 4.38Å; E327-R340 HydrophobicContact CG-CG 3.9Å; E327-R340 IonicContact OE1-CZ 2.81Å; E327-R340 VanDerWaalsContact OE1-CZ 3.25Å; E327-R340 IonicContact OE1-NE 3.58Å; E327-R340 PolarHBondContact OE1-NE 3.43Å; E327-R340 IonicContact OE1-NH2 2.66Å; E327-R340 PolarHBondContact OE1-NH2 2.66Å; R340-Q342 HydrophobicContact CB-CG 4.2Å; R340-D343 HydrophobicContact CB-CB 4.29Å; R340-D343 WeakPolarHBondContact CB-OD2 3.32Å; R340-D343 VanDerWaalsContact CD-OD2 3.25Å; R340-D343 WeakPolarHBondContact CD-OD2 3.46Å |
| 341 | L | 87.6 | Confident | 84.2 | Confident | 29 Ų | 29 | 79.1 Ų | 79.1 | 15% | 0.152 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -62.8 | -47.9 | 176.5 | -177.7 | 56 | 0 | 0 | 0 | 110.1 | V326 D343 K344 V345 F355 | V326-L341 HydrophobicContact CG1-CD2 4.44Å; V326-L341 PolarHBondContact O-N 3.1Å; L341-D343 PolarHBondContact O-N 3.01Å; L341-D343 VanDerWaalsContact O-N 3.11Å; L341-K344 PolarHBondContact O-N 3.16Å; L341-V345 HydrophobicContact CD1-CG2 4.01Å; L341-V345 HydrophobicContact CG-CG2 3.84Å; L341-V345 WeakPolarHBondContact O-CG2 3.38Å; L341-V345 PolarHBondContact O-N 2.77Å; L341-V345 VanDerWaalsContact O-N 3.09Å; L341-F355 HydrophobicContact CD1-CD2 4.15Å; L341-F355 HydrophobicContact CD1-CE2 3.65Å |
| 342 | Q | 80.5 | Confident | 84 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.8 | -177.2 | 75.7 | -166.2 | 8.1 | 0 | 0 | 114.3 | R340 K344 | R340-Q342 HydrophobicContact CB-CG 4.2Å; Q342-K344 PolarHBondContact O-N 3.42Å |
| 343 | D | 76.8 | Confident | 83.9 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.7 | -178.3 | -62 | -12.2 | 0 | 0 | 0 | 111.9 | R340 L341 | R340-D343 HydrophobicContact CB-CB 4.29Å; R340-D343 WeakPolarHBondContact CB-OD2 3.32Å; R340-D343 VanDerWaalsContact CD-OD2 3.25Å; R340-D343 WeakPolarHBondContact CD-OD2 3.46Å; L341-D343 PolarHBondContact O-N 3.01Å; L341-D343 VanDerWaalsContact O-N 3.11Å |
| 344 | K | 68.6 | Low | 83.9 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | -7.7 | -167.5 | -56.2 | -169.1 | 175.2 | -166.4 | 0 | 115.2 | L341 Q342 T346 F355 | L341-K344 PolarHBondContact O-N 3.16Å; Q342-K344 PolarHBondContact O-N 3.42Å; K344-T346 PolarHBondContact O-N 3.36Å; K344-F355 HydrophobicContact CB-CD1 3.98Å; K344-F355 HydrophobicContact CB-CD2 4.15Å; K344-F355 HydrophobicContact CB-CE1 3.42Å; K344-F355 VanDerWaalsContact CB-CE1 3.42Å; K344-F355 HydrophobicContact CB-CE2 3.66Å; K344-F355 HydrophobicContact CB-CG 4.29Å; K344-F355 HydrophobicContact CB-CZ 3.24Å; K344-F355 HydrophobicContact CD-CB 3.96Å; K344-F355 HydrophobicContact CD-CD1 3.2Å; K344-F355 HydrophobicContact CD-CD2 3.98Å; K344-F355 HydrophobicContact CD-CE1 3.56Å; K344-F355 HydrophobicContact CD-CE2 4.3Å; K344-F355 HydrophobicContact CD-CG 3.41Å; K344-F355 VanDerWaalsContact CD-CG 3.41Å; K344-F355 HydrophobicContact CD-CZ 4.1Å; K344-F355 HydrophobicContact CG-CD1 4.23Å; K344-F355 HydrophobicContact CG-CE1 4.14Å; K344-F355 HydrophobicContact CG-CG 4.47Å; K344-F355 HydrophobicContact CG-CZ 4.32Å |
| 345 | V | 66.7 | Low | 83.9 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | trans | -60.6 | 123.4 | -173.7 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | L341 D347 | L341-V345 HydrophobicContact CD1-CG2 4.01Å; L341-V345 HydrophobicContact CG-CG2 3.84Å; L341-V345 WeakPolarHBondContact O-CG2 3.38Å; L341-V345 PolarHBondContact O-N 2.77Å; L341-V345 VanDerWaalsContact O-N 3.09Å; V345-D347 VanDerWaalsContact CG1-O 3.22Å; V345-D347 WeakPolarHBondContact CG1-O 3.49Å | ||
| 346 | T | 60.1 | Low | 83.9 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 80% | 0.804 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -110 | -19 | 165.5 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | K344 E350 | K344-T346 PolarHBondContact O-N 3.36Å; T346-E350 PolarHBondContact N-OE2 3.26Å; T346-E350 PolarHBondContact OG1-OE2 3.1Å |
| 347 | D | 66 | Low | 83.9 | Confident | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -141.7 | 137.5 | 179.9 | -176.1 | -23.2 | 0 | 0 | 0 | 109.6 | V345 N349 E350 | V345-D347 VanDerWaalsContact CG1-O 3.22Å; V345-D347 WeakPolarHBondContact CG1-O 3.49Å; D347-N349 PolarHBondContact O-N 3.16Å; D347-N349 PolarHBondContact OD1-N 3.47Å; D347-N349 PolarHBondContact OD1-ND2 3.32Å; D347-E350 WeakPolarHBondContact O-CB 3.49Å; D347-E350 PolarHBondContact O-N 3.16Å; D347-E350 VanDerWaalsContact O-N 3.09Å |
| 348 | E | 61.7 | Low | 83.8 | Confident | 192 Ų | 192 | 67.4 Ų | 67.4 | 90% | 0.897 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.5 | 177.8 | -64.1 | -175.5 | 165.9 | 0 | 0 | 113.8 | ||
| 349 | N | 69.9 | Low | 83.9 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.5 | -179.4 | -62.9 | -70.6 | 0 | 0 | 0 | 114.7 | D347 E351 | D347-N349 PolarHBondContact O-N 3.16Å; D347-N349 PolarHBondContact OD1-N 3.47Å; D347-N349 PolarHBondContact OD1-ND2 3.32Å; N349-E351 PolarHBondContact O-N 3.41Å |
| 350 | E | 80.4 | Confident | 84 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -73.2 | 127.5 | -177.1 | -160.9 | 159.9 | -156.8 | 0 | 0 | 111.2 | T346 D347 H354 F355 | T346-E350 PolarHBondContact N-OE2 3.26Å; T346-E350 PolarHBondContact OG1-OE2 3.1Å; D347-E350 WeakPolarHBondContact O-CB 3.49Å; D347-E350 PolarHBondContact O-N 3.16Å; D347-E350 VanDerWaalsContact O-N 3.09Å; E350-H354 HydrophobicContact CG-CB 4.28Å; E350-H354 IonicContact OE1-CD2 3.05Å; E350-H354 PolarHBondContact OE1-CD2 3.05Å; E350-H354 IonicContact OE1-CG 3.21Å; E350-H354 IonicContact OE1-NE2 2.83Å; E350-F355 HydrophobicContact CG-CE2 3.94Å; E350-F355 HydrophobicContact CG-CZ 4.03Å; E350-F355 WeakPolarHBondContact OE1-CZ 3.29Å | ||
| 351 | E | 90.7 | Very high | 84.3 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -95.9 | 144 | 177.6 | -71.4 | 166.1 | 133.6 | 0 | 0 | 109.1 | R88 R89 R92 N349 E353 H354 | R88-E351 IonicContact CZ-OE1 2.65Å; R88-E351 IonicContact CZ-OE2 3.15Å; R88-E351 IonicContact NH1-OE1 3.34Å; R88-E351 PolarHBondContact NH1-OE1 2.89Å; R88-E351 IonicContact NH1-OE2 3.6Å; R88-E351 IonicContact NH2-OE1 2.68Å; R88-E351 PolarHBondContact NH2-OE1 3.09Å; R88-E351 IonicContact NH2-OE2 3.19Å; R88-E351 PolarHBondContact NH2-OE2 3.42Å; R89-E351 IonicContact CZ-OE2 2.77Å; R89-E351 VanDerWaalsContact NH1-CD 3.35Å; R89-E351 IonicContact NH1-OE1 3.57Å; R89-E351 PolarHBondContact NH1-OE1 3.38Å; R89-E351 IonicContact NH1-OE2 3.83Å; R89-E351 PolarHBondContact NH1-OE2 3.15Å; R89-E351 IonicContact NH2-OE2 3.74Å; R89-E351 PolarHBondContact NH2-OE2 3.47Å; R92-E351 IonicContact NH2-OE1 3.07Å; R92-E351 PolarHBondContact NH2-OE1 3.3Å; R92-E351 VanDerWaalsContact NH2-OE1 3.13Å; N349-E351 PolarHBondContact O-N 3.41Å; E351-E353 PolarHBondContact O-N 3.1Å; E351-H354 WeakPolarHBondContact O-CB 3.28Å; E351-H354 PolarHBondContact O-N 2.7Å | ||
| 352 | I | 94.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27.2 | 179.1 | -169.8 | 163.4 | 0 | 0 | 0 | 113.3 | K325 V326 V328 H354 F355 I356 | K325-I352 WeakPolarHBondContact O-CB 3.46Å; K325-I352 WeakPolarHBondContact O-CG2 3.41Å; V326-I352 VanDerWaalsContact C-CD1 3.46Å; V328-I352 HydrophobicContact CG1-CD1 3.97Å; V328-I352 HydrophobicContact CG2-CD1 4.29Å; I352-H354 PolarHBondContact O-N 2.6Å; I352-F355 PolarHBondContact O-N 3.43Å; I352-F355 VanDerWaalsContact O-N 3.14Å; I352-I356 HydrophobicContact CG1-CD1 4.04Å; I352-I356 HydrophobicContact CG1-CG1 4.19Å; I352-I356 HydrophobicContact CG2-CD1 4.17Å; I352-I356 WeakPolarHBondContact O-CG1 3.13Å; I352-I356 PolarHBondContact O-N 2.85Å |
| 353 | E | 95.7 | Very high | 85.5 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -26.4 | 176.4 | -74.4 | 76.7 | -154.7 | 0 | 0 | 113.9 | R62 A65 L69 E351 I356 V357 | R62-E353 HydrophobicContact CG-CG 4.1Å; R62-E353 WeakPolarHBondContact CG-OE1 3.14Å; R62-E353 IonicContact CZ-OE1 3.65Å; R62-E353 IonicContact NH1-OE1 2.73Å; R62-E353 PolarHBondContact NH1-OE1 3.41Å; A65-E353 HydrophobicContact CB-CB 3.92Å; A65-E353 HydrophobicContact CB-CG 3.75Å; L69-E353 VanDerWaalsContact CD1-C 3.44Å; L69-E353 HydrophobicContact CD1-CB 3.72Å; E351-E353 PolarHBondContact O-N 3.1Å; E353-I356 PolarHBondContact O-N 2.96Å; E353-V357 WeakPolarHBondContact O-CB 3.23Å; E353-V357 VanDerWaalsContact O-CG2 3.31Å; E353-V357 WeakPolarHBondContact O-CG2 3.35Å; E353-V357 PolarHBondContact O-N 3.23Å |
| 354 | H | 93.8 | Very high | 86.5 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 35% | 0.352 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.7 | -52.7 | 173.3 | -176.4 | 70.9 | 0 | 0 | 0 | 110.7 | L69 E350 E351 I352 V357 E358 | L69-H354 HydrophobicContact CD1-CB 4.48Å; E350-H354 HydrophobicContact CG-CB 4.28Å; E350-H354 IonicContact OE1-CD2 3.05Å; E350-H354 PolarHBondContact OE1-CD2 3.05Å; E350-H354 IonicContact OE1-CG 3.21Å; E350-H354 IonicContact OE1-NE2 2.83Å; E351-H354 WeakPolarHBondContact O-CB 3.28Å; E351-H354 PolarHBondContact O-N 2.7Å; I352-H354 PolarHBondContact O-N 2.6Å; H354-V357 PolarHBondContact O-N 2.63Å; H354-E358 WeakPolarHBondContact O-CB 3.25Å; H354-E358 PolarHBondContact O-N 2.84Å |
| 355 | F | 94.7 | Very high | 87.9 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72 | -32.9 | -179.1 | -55.1 | -60.9 | 0 | 0 | 0 | 113.1 | I339 L341 K344 E350 I352 R359 | I339-F355 HydrophobicContact CG2-CB 3.67Å; L341-F355 HydrophobicContact CD1-CD2 4.15Å; L341-F355 HydrophobicContact CD1-CE2 3.65Å; K344-F355 HydrophobicContact CB-CD1 3.98Å; K344-F355 HydrophobicContact CB-CD2 4.15Å; K344-F355 HydrophobicContact CB-CE1 3.42Å; K344-F355 VanDerWaalsContact CB-CE1 3.42Å; K344-F355 HydrophobicContact CB-CE2 3.66Å; K344-F355 HydrophobicContact CB-CG 4.29Å; K344-F355 HydrophobicContact CB-CZ 3.24Å; K344-F355 HydrophobicContact CD-CB 3.96Å; K344-F355 HydrophobicContact CD-CD1 3.2Å; K344-F355 HydrophobicContact CD-CD2 3.98Å; K344-F355 HydrophobicContact CD-CE1 3.56Å; K344-F355 HydrophobicContact CD-CE2 4.3Å; K344-F355 HydrophobicContact CD-CG 3.41Å; K344-F355 VanDerWaalsContact CD-CG 3.41Å; K344-F355 HydrophobicContact CD-CZ 4.1Å; K344-F355 HydrophobicContact CG-CD1 4.23Å; K344-F355 HydrophobicContact CG-CE1 4.14Å; K344-F355 HydrophobicContact CG-CG 4.47Å; K344-F355 HydrophobicContact CG-CZ 4.32Å; E350-F355 HydrophobicContact CG-CE2 3.94Å; E350-F355 HydrophobicContact CG-CZ 4.03Å; E350-F355 WeakPolarHBondContact OE1-CZ 3.29Å; I352-F355 PolarHBondContact O-N 3.43Å; I352-F355 VanDerWaalsContact O-N 3.14Å; F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.42Å; F355-R359 PolarHBondContact O-N 2.58Å; F355-R359 VanDerWaalsContact O-N 3.09Å |
| 356 | I | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 173.1 | -66.8 | 172.9 | 0 | 0 | 0 | 109.8 | R62 Y169 I317 V328 F330 I352 E353 L360 | R62-I356 VanDerWaalsContact NH1-CD1 3.28Å; Y169-I356 HydrophobicContact CE2-CG2 4.31Å; I317-I356 HydrophobicContact CD1-CG2 3.98Å; V328-I356 HydrophobicContact CG1-CD1 3.92Å; V328-I356 HydrophobicContact CG2-CD1 3.9Å; V328-I356 HydrophobicContact CG2-CG1 3.81Å; F330-I356 HydrophobicContact CE2-CB 4.48Å; F330-I356 HydrophobicContact CE2-CG1 4.28Å; F330-I356 HydrophobicContact CE2-CG2 4.16Å; F330-I356 HydrophobicContact CZ-CB 4.42Å; F330-I356 HydrophobicContact CZ-CG2 3.97Å; I352-I356 HydrophobicContact CG1-CD1 4.04Å; I352-I356 HydrophobicContact CG1-CG1 4.19Å; I352-I356 HydrophobicContact CG2-CD1 4.17Å; I352-I356 WeakPolarHBondContact O-CG1 3.13Å; I352-I356 PolarHBondContact O-N 2.85Å; E353-I356 PolarHBondContact O-N 2.96Å; I356-L360 WeakPolarHBondContact O-CB 3.31Å; I356-L360 PolarHBondContact O-N 3.5Å |
| 357 | V | 97.4 | Very high | 91 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.2 | -42.8 | -177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L69 E353 H354 R359 L360 V361 | L69-V357 HydrophobicContact CB-CB 4.14Å; L69-V357 HydrophobicContact CB-CG1 4.09Å; L69-V357 HydrophobicContact CB-CG2 4.08Å; L69-V357 HydrophobicContact CD1-CG2 4.47Å; E353-V357 WeakPolarHBondContact O-CB 3.23Å; E353-V357 VanDerWaalsContact O-CG2 3.31Å; E353-V357 WeakPolarHBondContact O-CG2 3.35Å; E353-V357 PolarHBondContact O-N 3.23Å; H354-V357 PolarHBondContact O-N 2.63Å; V357-R359 PolarHBondContact O-N 3.28Å; V357-L360 PolarHBondContact O-N 3.43Å; V357-V361 HydrophobicContact CG1-CG2 4.18Å; V357-V361 WeakPolarHBondContact O-CB 3.33Å; V357-V361 VanDerWaalsContact O-CG2 3.31Å; V357-V361 WeakPolarHBondContact O-CG2 3.19Å; V357-V361 PolarHBondContact O-N 3.08Å |
| 358 | E | 95.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55 | -52.7 | 175.4 | -178.6 | -172.5 | -143.2 | 0 | 0 | 111.1 | H354 L360 V361 F362 | H354-E358 WeakPolarHBondContact O-CB 3.25Å; H354-E358 PolarHBondContact O-N 2.84Å; E358-L360 PolarHBondContact O-N 3.48Å; E358-V361 PolarHBondContact O-N 3.04Å; E358-F362 PolarHBondContact O-N 3.15Å; E358-F362 VanDerWaalsContact O-N 3.08Å |
| 359 | R | 96.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | -179.7 | -174.4 | 56.1 | 174.5 | 149.3 | 3.1 | 112.2 | F330 E337 I339 F355 V357 F362 L363 | F330-R359 HydrophobicContact CD1-CG 3.83Å; F330-R359 HydrophobicContact CE1-CB 3.93Å; F330-R359 HydrophobicContact CE1-CG 3.64Å; F330-R359 HydrophobicContact CZ-CB 4.25Å; F330-R359 HydrophobicContact CZ-CG 4.36Å; E337-R359 VanDerWaalsContact CD-NE 3.34Å; E337-R359 IonicContact OE1-CZ 3.61Å; E337-R359 IonicContact OE1-NE 3.21Å; E337-R359 PolarHBondContact OE1-NE 2.85Å; E337-R359 IonicContact OE1-NH2 2.79Å; E337-R359 IonicContact OE2-CZ 3.13Å; E337-R359 IonicContact OE2-NE 2.92Å; E337-R359 PolarHBondContact OE2-NE 3.1Å; E337-R359 IonicContact OE2-NH2 2.77Å; E337-R359 PolarHBondContact OE2-NH2 3.11Å; I339-R359 HydrophobicContact CD1-CB 3.86Å; I339-R359 HydrophobicContact CD1-CG 4.01Å; F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.42Å; F355-R359 PolarHBondContact O-N 2.58Å; F355-R359 VanDerWaalsContact O-N 3.09Å; V357-R359 PolarHBondContact O-N 3.28Å; R359-F362 WeakPolarHBondContact O-CB 3.4Å; R359-F362 PolarHBondContact O-N 2.9Å; R359-L363 HydrophobicContact CG-CD1 4.48Å; R359-L363 WeakPolarHBondContact O-CG 3.44Å; R359-L363 PolarHBondContact O-N 3.15Å |
| 360 | L | 98 | Very high | 94.8 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.2 | 175.5 | 60.8 | 0 | 0 | 0 | 112.2 | L167 Y169 F219 V221 L315 I356 V357 E358 F362 L363 H364 | L167-L360 HydrophobicContact CD1-CD1 4.11Å; L167-L360 HydrophobicContact CD2-CD2 3.99Å; L167-L360 HydrophobicContact CD2-CG 4.11Å; Y169-L360 HydrophobicContact CD2-CD2 3.39Å; Y169-L360 HydrophobicContact CE2-CD2 3.69Å; Y169-L360 HydrophobicContact CG-CD2 4.48Å; F219-L360 HydrophobicContact CD1-CD1 4.33Å; F219-L360 HydrophobicContact CE1-CD1 3.89Å; V221-L360 HydrophobicContact CG2-CD1 3.56Å; L315-L360 HydrophobicContact CD2-CD1 4.08Å; I356-L360 WeakPolarHBondContact O-CB 3.31Å; I356-L360 PolarHBondContact O-N 3.5Å; V357-L360 PolarHBondContact O-N 3.43Å; E358-L360 PolarHBondContact O-N 3.48Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 3.18Å; L360-L363 PolarHBondContact O-N 3.34Å; L360-H364 WeakPolarHBondContact O-CB 3.19Å; L360-H364 PolarHBondContact O-N 2.9Å |
| 361 | V | 97.4 | Very high | 94 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 177.7 | 168 | 0 | 0 | 0 | 0 | 110.3 | E71 Y72 V357 E358 H364 R365 | E71-V361 WeakPolarHBondContact OE1-CG1 3.37Å; Y72-V361 HydrophobicContact CE1-CG1 4.4Å; Y72-V361 HydrophobicContact CE1-CG2 4.46Å; V357-V361 HydrophobicContact CG1-CG2 4.18Å; V357-V361 WeakPolarHBondContact O-CB 3.33Å; V357-V361 VanDerWaalsContact O-CG2 3.31Å; V357-V361 WeakPolarHBondContact O-CG2 3.19Å; V357-V361 PolarHBondContact O-N 3.08Å; E358-V361 PolarHBondContact O-N 3.04Å; V361-H364 PolarHBondContact O-N 2.87Å; V361-R365 HydrophobicContact CG1-CG 4.43Å; V361-R365 VanDerWaalsContact O-CG 3.29Å; V361-R365 WeakPolarHBondContact O-CG 3.36Å; V361-R365 PolarHBondContact O-N 3.37Å |
| 362 | F | 97.2 | Very high | 92.6 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 45% | 0.447 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.4 | -53.8 | 173.2 | 177.9 | -81.9 | 0 | 0 | 0 | 111.6 | E358 R359 L360 H364 R365 E366 | E358-F362 PolarHBondContact O-N 3.15Å; E358-F362 VanDerWaalsContact O-N 3.08Å; R359-F362 WeakPolarHBondContact O-CB 3.4Å; R359-F362 PolarHBondContact O-N 2.9Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 3.18Å; F362-H364 VanDerWaalsContact C-N 3.28Å; F362-H364 PolarHBondContact O-N 3.34Å; F362-R365 PolarHBondContact O-N 3.44Å; F362-R365 VanDerWaalsContact O-N 3.16Å; F362-E366 HydrophobicContact CD1-CG 4.2Å; F362-E366 HydrophobicContact CE1-CG 3.73Å; F362-E366 HydrophobicContact CZ-CG 4.11Å; F362-E366 PolarHBondContact O-N 3.21Å |
| 363 | L | 97.5 | Very high | 89.9 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | -178.8 | -69.3 | 175.1 | 0 | 0 | 0 | 112.4 | F219 L315 F330 R359 L360 E366 H367 | F219-L363 HydrophobicContact CE2-CB 4.47Å; F219-L363 HydrophobicContact CZ-CB 3.9Å; L315-L363 HydrophobicContact CD2-CD1 4.19Å; F330-L363 HydrophobicContact CD1-CD1 3.81Å; F330-L363 HydrophobicContact CE1-CD1 4.12Å; R359-L363 HydrophobicContact CG-CD1 4.48Å; R359-L363 WeakPolarHBondContact O-CG 3.44Å; R359-L363 PolarHBondContact O-N 3.15Å; L360-L363 PolarHBondContact O-N 3.34Å; L363-E366 PolarHBondContact O-N 2.79Å; L363-H367 PolarHBondContact O-N 3.31Å |
| 364 | H | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 177.3 | -175.3 | -142 | 0 | 0 | 0 | 112.4 | Y72 R164 A166 F219 L360 V361 F362 H367 M368 | Y72-H364 AromaticContact CE2-CE1 3.68Å; Y72-H364 AromaticContact CE2-ND1 3.11Å; Y72-H364 WeakPolarHBondContact CE2-ND1 3.42Å; Y72-H364 AromaticContact CZ-ND1 3.38Å; Y72-H364 PolarHBondContact OH-ND1 3.32Å; R164-H364 PolarHBondContact O-NE2 2.8Å; A166-H364 PolarHBondContact O-NE2 3.25Å; F219-H364 WeakPolarHBondContact CB-CD2 3.49Å; F219-H364 HydrophobicContact CG-CB 4.48Å; F219-H364 AromaticContact CG-CD2 3.96Å; L360-H364 WeakPolarHBondContact O-CB 3.19Å; L360-H364 PolarHBondContact O-N 2.9Å; V361-H364 PolarHBondContact O-N 2.87Å; F362-H364 VanDerWaalsContact C-N 3.28Å; F362-H364 PolarHBondContact O-N 3.34Å; H364-H367 WeakPolarHBondContact O-CB 3.34Å; H364-H367 PolarHBondContact O-N 3.16Å; H364-M368 WeakPolarHBondContact O-CG 3.16Å; H364-M368 PolarHBondContact O-N 3.27Å |
| 365 | R | 96.3 | Very high | 89.4 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 172.7 | -73.3 | 172.6 | -179.5 | -174.1 | -0.3 | 111.9 | E71 V361 F362 H367 M368 A369 | E71-R365 IonicContact OE1-CZ 3.92Å; E71-R365 IonicContact OE1-NE 3.17Å; E71-R365 IonicContact OE1-NH2 3.02Å; E71-R365 PolarHBondContact OE1-NH2 3Å; E71-R365 IonicContact OE2-NH2 3.94Å; V361-R365 HydrophobicContact CG1-CG 4.43Å; V361-R365 VanDerWaalsContact O-CG 3.29Å; V361-R365 WeakPolarHBondContact O-CG 3.36Å; V361-R365 PolarHBondContact O-N 3.37Å; F362-R365 PolarHBondContact O-N 3.44Å; F362-R365 VanDerWaalsContact O-N 3.16Å; R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 3.49Å; R365-M368 HydrophobicContact CB-CE 4.36Å; R365-M368 HydrophobicContact CG-CE 3.91Å; R365-M368 PolarHBondContact O-N 2.67Å; R365-A369 WeakPolarHBondContact O-CB 3.3Å; R365-A369 PolarHBondContact O-N 3.41Å |
| 366 | E | 95.9 | Very high | 89.1 | Confident | 110 Ų | 110 | 68.7 Ų | 68.7 | 51% | 0.514 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 172.6 | -69 | -63.4 | 117.5 | 0 | 0 | 111 | F362 L363 M368 A369 V370 | F362-E366 HydrophobicContact CD1-CG 4.2Å; F362-E366 HydrophobicContact CE1-CG 3.73Å; F362-E366 HydrophobicContact CZ-CG 4.11Å; F362-E366 PolarHBondContact O-N 3.21Å; L363-E366 PolarHBondContact O-N 2.79Å; E366-M368 VanDerWaalsContact C-N 3.33Å; E366-M368 PolarHBondContact O-N 3.22Å; E366-A369 PolarHBondContact O-N 3.29Å; E366-A369 VanDerWaalsContact O-N 3.11Å; E366-V370 PolarHBondContact O-N 3.12Å |
| 367 | H | 95.9 | Very high | 88.6 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 17% | 0.167 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.8 | 178.9 | 86.8 | 0 | 0 | 0 | 112.7 | R164 E217 F219 L363 H364 R365 A369 V370 | R164-H367 WeakPolarHBondContact CD-O 3.33Å; E217-H367 PolarHBondContact O-NE2 3.1Å; F219-H367 HydrophobicContact CD2-CB 3.51Å; F219-H367 AromaticContact CD2-CG 3.55Å; F219-H367 AromaticContact CD2-ND1 3.78Å; F219-H367 HydrophobicContact CE2-CB 4Å; F219-H367 HydrophobicContact CG-CB 4.49Å; L363-H367 PolarHBondContact O-N 3.31Å; H364-H367 WeakPolarHBondContact O-CB 3.34Å; H364-H367 PolarHBondContact O-N 3.16Å; R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 3.49Å; H367-A369 VanDerWaalsContact C-N 3.31Å; H367-A369 PolarHBondContact O-N 3.21Å; H367-V370 PolarHBondContact O-N 2.81Å |
| 368 | M | 95.5 | Very high | 88.1 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 176.4 | -73.4 | -173.2 | -65.7 | 0 | 0 | 113.2 | P33 R164 R165 H364 R365 E366 V370 | P33-M368 HydrophobicContact CB-SD 4.33Å; P33-M368 HydrophobicContact CG-CE 3.97Å; P33-M368 HydrophobicContact CG-SD 4.06Å; R164-M368 HydrophobicContact CB-CG 4.31Å; R164-M368 VanDerWaalsContact O-CG 3.25Å; R164-M368 WeakPolarHBondContact O-CG 3.08Å; R165-M368 HydrophobicContact CB-SD 4.29Å; R165-M368 HydrophobicContact CG-SD 4.02Å; H364-M368 WeakPolarHBondContact O-CG 3.16Å; H364-M368 PolarHBondContact O-N 3.27Å; R365-M368 HydrophobicContact CB-CE 4.36Å; R365-M368 HydrophobicContact CG-CE 3.91Å; R365-M368 PolarHBondContact O-N 2.67Å; E366-M368 VanDerWaalsContact C-N 3.33Å; E366-M368 PolarHBondContact O-N 3.22Å; M368-V370 VanDerWaalsContact C-N 3.32Å |
| 369 | A | 94.2 | Very high | 87.6 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -77.7 | -13.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R365 E366 H367 N371 | R365-A369 WeakPolarHBondContact O-CB 3.3Å; R365-A369 PolarHBondContact O-N 3.41Å; E366-A369 PolarHBondContact O-N 3.29Å; E366-A369 VanDerWaalsContact O-N 3.11Å; H367-A369 VanDerWaalsContact C-N 3.31Å; H367-A369 PolarHBondContact O-N 3.21Å; A369-N371 PolarHBondContact O-N 3.45Å |
| 370 | V | 89.3 | Confident | 86.9 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -66.6 | 107.8 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | R164 E366 H367 M368 T372 | R164-V370 PolarHBondContact NH1-O 2.77Å; R164-V370 PolarHBondContact NH2-O 3.16Å; E366-V370 PolarHBondContact O-N 3.12Å; H367-V370 PolarHBondContact O-N 2.81Å; M368-V370 VanDerWaalsContact C-N 3.32Å; V370-T372 PolarHBondContact O-N 2.89Å; V370-T372 VanDerWaalsContact O-N 3.1Å |
| 371 | N | 63.4 | Low | 86.1 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | trans | -59 | 113.6 | 170.6 | -68.8 | -35.2 | 0 | 0 | 0 | 109 | A369 S373 | A369-N371 PolarHBondContact O-N 3.45Å; N371-S373 PolarHBondContact O-N 3.24Å; N371-S373 VanDerWaalsContact O-N 3.16Å | ||
| 372 | T | 59.9 | Low | 85.1 | Confident | 90 Ų | 90 | 86 Ų | 86 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | trans | -66.9 | 109 | 155.5 | 23.9 | 0 | 0 | 0 | 0 | 106.6 | R164 V370 | R164-T372 VanDerWaalsContact CZ-CG2 3.49Å; R164-T372 VanDerWaalsContact NH1-CG2 3.29Å; R164-T372 PolarHBondContact NH1-OG1 2.94Å; V370-T372 PolarHBondContact O-N 2.89Å; V370-T372 VanDerWaalsContact O-N 3.1Å | ||
| 373 | S | 38.8 | Very low | 84 | Confident | 186 Ų | 186 | 84.5 Ų | 84.5 | 100% | 1.301 | 48% | 0.48 | S | S | * | . | trans | -56.1 | 0 | 161 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | N371 | N371-S373 PolarHBondContact O-N 3.24Å; N371-S373 VanDerWaalsContact O-N 3.16Å |
Retrieved 373 of 373 residues in 295.9 ms
(Link to these results)