| 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 | 66.4 | Low | 93.8 | Very high | 211 Ų | 211 | 59.9 Ų | 59.9 | 100% | 1.039 | 30% | 0.299 | S | S | * | . | 0 | 143.5 | 0 | -65.9 | -179.8 | -158.6 | 0 | 0 | 106.8 | |||||
| 2 | P | 83.8 | Confident | 94.2 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 28% | 0.279 | 28% | 0.28 | S | S | . | . | trans | -59.2 | 151.1 | 175.6 | 27.7 | -36.1 | 0 | 0 | 0 | 110.4 | Y4 V56 D57 | P2-Y4 HydrophobicContact CG-CD2 4.38Å; P2-Y4 HydrophobicContact CG-CE1 4.16Å; P2-Y4 HydrophobicContact CG-CE2 3.59Å; P2-Y4 VanDerWaalsContact CG-CZ 3.44Å; P2-Y4 WeakPolarHBondContact CG-OH 3.38Å; P2-V56 HydrophobicContact CB-CG1 4.01Å; P2-D57 VanDerWaalsContact CA-OD1 3.25Å; P2-D57 WeakPolarHBondContact CA-OD1 3.43Å; P2-D57 WeakPolarHBondContact CB-OD2 3.33Å | ||
| 3 | N | 93.4 | Very high | 94.5 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 71% | 0.706 | 28% | 0.28 | S | S | * | . | trans | -80.8 | 120.4 | 172.2 | -71.9 | -36.4 | 0 | 0 | 0 | 109 | D57 | N3-D57 PolarHBondContact N-OD1 2.84Å; N3-D57 PolarHBondContact O-N 2.8Å | ||
| 4 | Y | 98.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | 178.3 | -70.4 | -61.4 | 0 | 0 | 0 | 111.4 | P2 F22 I27 Y29 E30 L54 E55 V56 Y70 L71 | P2-Y4 HydrophobicContact CG-CD2 4.38Å; P2-Y4 HydrophobicContact CG-CE1 4.16Å; P2-Y4 HydrophobicContact CG-CE2 3.59Å; P2-Y4 VanDerWaalsContact CG-CZ 3.44Å; P2-Y4 WeakPolarHBondContact CG-OH 3.38Å; Y4-F22 HydrophobicContact CD1-CE1 4.4Å; Y4-F22 HydrophobicContact CD1-CZ 4.22Å; Y4-F22 AromaticContact CD2-CE1 3.86Å; Y4-F22 HydrophobicContact CD2-CE1 3.86Å; Y4-F22 HydrophobicContact CD2-CZ 4.35Å; Y4-F22 HydrophobicContact CE2-CE1 4.24Å; Y4-F22 AromaticContact CG-CE1 3.94Å; Y4-F22 HydrophobicContact CG-CE1 3.94Å; Y4-F22 AromaticContact CG-CZ 3.95Å; Y4-F22 HydrophobicContact CG-CZ 3.95Å; Y4-I27 HydrophobicContact CD2-CG2 3.69Å; Y4-I27 HydrophobicContact CE2-CG2 3.71Å; Y4-Y29 WeakPolarHBondContact O-CA 3.49Å; Y4-E30 PolarHBondContact O-N 3.43Å; Y4-L54 HydrophobicContact CD1-CD1 4.1Å; Y4-L54 HydrophobicContact CD1-CD2 3.98Å; Y4-L54 HydrophobicContact CD1-CG 4.22Å; Y4-L54 HydrophobicContact CE1-CD2 4.21Å; Y4-E55 WeakPolarHBondContact CA-O 3.39Å; Y4-V56 HydrophobicContact CD1-CB 4.37Å; Y4-V56 HydrophobicContact CD1-CG1 4.18Å; Y4-V56 HydrophobicContact CD1-CG2 3.83Å; Y4-V56 HydrophobicContact CE1-CB 4.16Å; Y4-V56 HydrophobicContact CE1-CG1 3.61Å; Y4-V56 HydrophobicContact CE1-CG2 3.65Å; Y4-Y70 HydrophobicContact CE1-CE1 4.41Å; Y4-L71 HydrophobicContact CE1-CD2 4.24Å |
| 5 | K | 98.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116.5 | 169.1 | 177.4 | 178.6 | 173.6 | -162.8 | 0 | 110.8 | E30 H32 L54 E55 | K5-E30 HydrophobicContact CB-CB 4.17Å; K5-E30 WeakPolarHBondContact CD-OE2 3.23Å; K5-E30 WeakPolarHBondContact CE-OE1 3.3Å; K5-E30 HydrophobicContact CG-CB 4.11Å; K5-E30 HydrophobicContact CG-CG 4.25Å; K5-H32 HydrophobicContact CD-CB 4.41Å; K5-H32 VanDerWaalsContact CE-CG 3.42Å; K5-H32 HydrophobicContact CG-CB 4.04Å; K5-L54 WeakPolarHBondContact O-CA 3.34Å; K5-E55 HydrophobicContact CB-CB 4.25Å; K5-E55 VanDerWaalsContact CD-OE2 3.32Å; K5-E55 WeakPolarHBondContact CD-OE2 3.41Å; K5-E55 PolarHBondContact N-O 3.48Å; K5-E55 VanDerWaalsContact N-O 3.09Å; K5-E55 IonicContact NZ-OE2 2.8Å; K5-E55 PolarHBondContact O-N 2.85Å |
| 6 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.4 | 176.8 | 175 | 61.9 | 0 | 0 | 0 | 108.9 | A15 I18 R19 Y29 E30 H32 P52 I53 L54 | L6-A15 HydrophobicContact CD2-CB 4.31Å; L6-I18 HydrophobicContact CD1-CB 4.4Å; L6-I18 HydrophobicContact CD1-CD1 3.8Å; L6-I18 HydrophobicContact CD1-CG2 4.05Å; L6-I18 HydrophobicContact CD2-CB 4.16Å; L6-I18 HydrophobicContact CD2-CG2 3.88Å; L6-R19 HydrophobicContact CD2-CG 3.6Å; L6-Y29 HydrophobicContact CB-CD2 3.87Å; L6-Y29 HydrophobicContact CB-CE2 3.99Å; L6-Y29 HydrophobicContact CD2-CE2 3.9Å; L6-E30 PolarHBondContact N-O 3.06Å; L6-H32 WeakPolarHBondContact O-CA 3.2Å; L6-H32 WeakPolarHBondContact O-CB 3.48Å; L6-H32 PolarHBondContact O-N 3.08Å; L6-P52 HydrophobicContact CD1-CB 3.99Å; L6-I53 WeakPolarHBondContact CD1-O 3.17Å; L6-L54 HydrophobicContact CB-CD1 4.3Å |
| 7 | T | 98.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.8 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | H32 I34 I51 P52 I53 | T7-H32 WeakPolarHBondContact CA-O 3.14Å; T7-I34 HydrophobicContact CG2-CG2 3.81Å; T7-I51 HydrophobicContact CG2-CG2 4.46Å; T7-P52 WeakPolarHBondContact O-CA 3.34Å; T7-I53 PolarHBondContact N-O 3.45Å; T7-I53 PolarHBondContact O-N 2.96Å |
| 8 | Y | 98.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172.1 | 173.6 | -163.1 | -115.6 | 0 | 0 | 0 | 111.5 | M11 R14 A15 H32 R33 I34 I51 P52 | Y8-M11 HydrophobicContact CE1-CB 4.31Å; Y8-R14 HydrophobicContact CE2-CB 4.25Å; Y8-R14 PolarHBondContact OH-N 3.07Å; Y8-R14 VanDerWaalsContact OH-N 3.09Å; Y8-A15 HydrophobicContact CD1-CB 3.42Å; Y8-A15 VanDerWaalsContact CD1-CB 3.42Å; Y8-A15 HydrophobicContact CD2-CB 4Å; Y8-A15 HydrophobicContact CE1-CB 4.06Å; Y8-A15 HydrophobicContact CG-CB 3.38Å; Y8-H32 PolarHBondContact N-O 3.39Å; Y8-H32 VanDerWaalsContact N-O 3.13Å; Y8-R33 CarbonylContact O-C 3.59Å; Y8-R33 VanDerWaalsContact O-CA 3.28Å; Y8-R33 WeakPolarHBondContact O-CA 3.47Å; Y8-I34 PolarHBondContact O-N 3.38Å; Y8-I51 HydrophobicContact CD2-CB 3.92Å; Y8-I51 HydrophobicContact CD2-CD1 3.86Å; Y8-I51 HydrophobicContact CD2-CG1 3.94Å; Y8-I51 HydrophobicContact CE2-CB 4.47Å; Y8-I51 HydrophobicContact CE2-CD1 4.33Å; Y8-I51 HydrophobicContact CE2-CG1 4.2Å; Y8-I51 HydrophobicContact CG-CD1 4.45Å; Y8-P52 HydrophobicContact CD2-CB 3.74Å; Y8-P52 HydrophobicContact CD2-CG 4.25Å; Y8-P52 HydrophobicContact CE2-CB 4.41Å; Y8-P52 HydrophobicContact CE2-CG 4.45Å; Y8-P52 HydrophobicContact CG-CB 4.36Å |
| 9 | F | 98.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 161.3 | 170.2 | -70.4 | -58.1 | 0 | 0 | 0 | 111.8 | M11 I34 W39 I51 | F9-M11 HydrophobicContact CB-CE 3.58Å; F9-M11 HydrophobicContact CB-CG 4.42Å; F9-M11 HydrophobicContact CD2-CE 3.73Å; F9-M11 HydrophobicContact CG-CE 3.96Å; F9-M11 PolarHBondContact O-N 3.49Å; F9-I34 HydrophobicContact CD1-CD1 4.27Å; F9-I34 HydrophobicContact CD1-CG1 3.86Å; F9-I34 HydrophobicContact CE1-CD1 4.04Å; F9-I34 HydrophobicContact CE1-CG1 4.11Å; F9-W39 HydrophobicContact CE1-CB 3.92Å; F9-W39 HydrophobicContact CE1-CG 4.16Å; F9-W39 HydrophobicContact CZ-CB 4Å; F9-W39 AromaticContact CZ-CD2 3.96Å; F9-W39 HydrophobicContact CZ-CD2 3.96Å; F9-W39 HydrophobicContact CZ-CE3 4.48Å; F9-W39 AromaticContact CZ-CG 3.72Å; F9-W39 HydrophobicContact CZ-CG 3.72Å; F9-I51 HydrophobicContact CD1-CD1 4.29Å; F9-I51 HydrophobicContact CD2-CD1 3.54Å; F9-I51 HydrophobicContact CD2-CG1 4.48Å; F9-I51 HydrophobicContact CE1-CD1 4.31Å; F9-I51 HydrophobicContact CE2-CD1 3.59Å; F9-I51 HydrophobicContact CE2-CG1 4.3Å; F9-I51 HydrophobicContact CG-CD1 3.91Å; F9-I51 HydrophobicContact CZ-CD1 3.98Å |
| 10 | N | 98.3 | Very high | 96 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 33% | 0.326 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -70 | 68.9 | 167.7 | -169.2 | 17.2 | 0 | 0 | 0 | 112.1 | R33 T197 | N10-R33 HydrophobicContact CB-CB 4.27Å; N10-R33 PolarHBondContact OD1-NH1 2.73Å; N10-R33 VanDerWaalsContact OD1-NH1 3.09Å; N10-T197 VanDerWaalsContact O-CG2 3.29Å; N10-T197 WeakPolarHBondContact O-CG2 3.46Å |
| 11 | M | 98 | Very high | 96.2 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 29% | 0.291 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -148.3 | 164.5 | 178.4 | -69.2 | -170.9 | -70 | 0 | 0 | 108.5 | Y8 F9 R19 L199 | Y8-M11 HydrophobicContact CE1-CB 4.31Å; F9-M11 HydrophobicContact CB-CE 3.58Å; F9-M11 HydrophobicContact CB-CG 4.42Å; F9-M11 HydrophobicContact CD2-CE 3.73Å; F9-M11 HydrophobicContact CG-CE 3.96Å; F9-M11 PolarHBondContact O-N 3.49Å; M11-R19 PolarHBondContact O-NH1 3.39Å; M11-R19 PolarHBondContact O-NH2 3.38Å; M11-L199 CarbonylContact C-O 3.55Å; M11-L199 WeakPolarHBondContact CA-O 3.28Å; M11-L199 WeakPolarHBondContact CB-O 3.44Å; M11-L199 HydrophobicContact SD-CB 4.16Å |
| 12 | R | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 27.3 Ų | 27.3 | 7% | 0.068 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68.7 | -68.8 | 163.1 | -55.7 | -176.8 | -61.4 | -78.2 | -2.8 | 108.4 | A15 E16 R19 R194 T197 K198 L199 | R12-A15 PolarHBondContact O-N 3.23Å; R12-E16 WeakPolarHBondContact CA-OE2 3.2Å; R12-E16 HydrophobicContact CB-CB 3.77Å; R12-E16 HydrophobicContact CB-CG 3.76Å; R12-E16 HydrophobicContact CG-CG 4.19Å; R12-E16 PolarHBondContact O-N 3.11Å; R12-E16 VanDerWaalsContact O-N 3.14Å; R12-R19 PolarHBondContact O-NH1 3.42Å; R12-R194 VanDerWaalsContact CD-NH1 3.31Å; R12-T197 PolarHBondContact NH1-O 3.33Å; R12-K198 PolarHBondContact NH2-O 3.45Å; R12-L199 VanDerWaalsContact CB-OXT 3.24Å; R12-L199 WeakPolarHBondContact CB-OXT 3.46Å; R12-L199 PolarHBondContact N-O 2.98Å; R12-L199 PolarHBondContact N-OXT 3.44Å |
| 13 | G | 98.1 | Very high | 98.4 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | 42.6 | -142 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A15 E16 L199 | G13-A15 PolarHBondContact O-N 2.81Å; G13-E16 PolarHBondContact O-N 3.01Å; G13-L199 PolarHBondContact N-OXT 2.85Å |
| 14 | R | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 24.1 Ų | 24.1 | 29% | 0.291 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -70.7 | -15 | -178 | -67.5 | -173.7 | 174.7 | -85 | 0.7 | 114.1 | Y8 P52 S64 D96 S100 | Y8-R14 HydrophobicContact CE2-CB 4.25Å; Y8-R14 PolarHBondContact OH-N 3.07Å; Y8-R14 VanDerWaalsContact OH-N 3.09Å; R14-P52 HydrophobicContact CB-CG 4.36Å; R14-S64 WeakPolarHBondContact O-CB 3.44Å; R14-D96 IonicContact CZ-OD1 3.1Å; R14-D96 IonicContact NH1-OD1 3.71Å; R14-D96 PolarHBondContact NH1-OD1 3.08Å; R14-D96 IonicContact NH1-OD2 3.89Å; R14-D96 PolarHBondContact NH1-OD2 2.81Å; R14-D96 VanDerWaalsContact NH1-OD2 3.1Å; R14-S100 PolarHBondContact NH2-OG 2.91Å |
| 15 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -85.3 | -19.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L6 Y8 R12 G13 I17 I18 R19 P52 | L6-A15 HydrophobicContact CD2-CB 4.31Å; Y8-A15 HydrophobicContact CD1-CB 3.42Å; Y8-A15 VanDerWaalsContact CD1-CB 3.42Å; Y8-A15 HydrophobicContact CD2-CB 4Å; Y8-A15 HydrophobicContact CE1-CB 4.06Å; Y8-A15 HydrophobicContact CG-CB 3.38Å; R12-A15 PolarHBondContact O-N 3.23Å; G13-A15 PolarHBondContact O-N 2.81Å; A15-I17 PolarHBondContact O-N 3.22Å; A15-I18 WeakPolarHBondContact O-CB 3.25Å; A15-I18 PolarHBondContact O-N 2.93Å; A15-R19 PolarHBondContact O-N 2.95Å; A15-R19 VanDerWaalsContact O-N 3.17Å; A15-P52 HydrophobicContact CB-CB 4.1Å; A15-P52 HydrophobicContact CB-CG 4.46Å |
| 16 | E | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -31 | -170.4 | -161 | 66.8 | 179.1 | 0 | 0 | 113.4 | R12 G13 I18 R19 Y20 I155 W190 R194 | R12-E16 WeakPolarHBondContact CA-OE2 3.2Å; R12-E16 HydrophobicContact CB-CB 3.77Å; R12-E16 HydrophobicContact CB-CG 3.76Å; R12-E16 HydrophobicContact CG-CG 4.19Å; R12-E16 PolarHBondContact O-N 3.11Å; R12-E16 VanDerWaalsContact O-N 3.14Å; G13-E16 PolarHBondContact O-N 3.01Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 2.81Å; E16-R19 PolarHBondContact O-N 3.2Å; E16-R19 IonicContact OE2-CZ 3.53Å; E16-R19 IonicContact OE2-NH1 2.71Å; E16-R19 PolarHBondContact OE2-NH1 3.2Å; E16-Y20 HydrophobicContact CG-CD1 4.04Å; E16-Y20 HydrophobicContact CG-CE1 3.83Å; E16-Y20 WeakPolarHBondContact O-CD1 3.48Å; E16-Y20 PolarHBondContact O-N 3.18Å; E16-I155 HydrophobicContact CB-CD1 4.16Å; E16-I155 HydrophobicContact CB-CG1 4.38Å; E16-I155 HydrophobicContact CB-CG2 4.05Å; E16-I155 HydrophobicContact CG-CD1 4.16Å; E16-I155 HydrophobicContact CG-CG1 4.1Å; E16-I155 HydrophobicContact CG-CG2 4.43Å; E16-W190 PolarHBondContact OE1-NE1 3.12Å; E16-R194 WeakPolarHBondContact OE1-CD 3.32Å; E16-R194 IonicContact OE1-CZ 3.65Å; E16-R194 IonicContact OE1-NE 2.82Å; E16-R194 IonicContact OE1-NH1 3.82Å; E16-R194 PolarHBondContact OE1-NH1 3.21Å |
| 17 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.7 | -174 | 55.4 | 0 | 0 | 0 | 111.6 | A15 R19 Y20 I21 A68 W148 F151 Y152 I155 | A15-I17 PolarHBondContact O-N 3.22Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; I17-Y20 PolarHBondContact O-N 2.84Å; I17-I21 HydrophobicContact CD1-CD1 4.29Å; I17-I21 HydrophobicContact CG1-CD1 4.08Å; I17-I21 WeakPolarHBondContact O-CD1 3.46Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 2.86Å; I17-A68 HydrophobicContact CG1-CB 4.07Å; I17-A68 HydrophobicContact CG2-CB 4.36Å; I17-W148 HydrophobicContact CD1-CB 4.47Å; I17-W148 HydrophobicContact CD1-CE3 4.24Å; I17-W148 HydrophobicContact CG1-CE3 4.07Å; I17-F151 HydrophobicContact CD1-CB 3.72Å; I17-Y152 HydrophobicContact CB-CD2 3.76Å; I17-Y152 HydrophobicContact CB-CE2 3.99Å; I17-Y152 HydrophobicContact CD1-CD2 4.01Å; I17-Y152 HydrophobicContact CG1-CD2 3.77Å; I17-Y152 HydrophobicContact CG1-CE2 4.37Å; I17-Y152 HydrophobicContact CG2-CD2 4.27Å; I17-Y152 HydrophobicContact CG2-CE2 4.04Å; I17-I155 HydrophobicContact CB-CD1 4.01Å; I17-I155 HydrophobicContact CD1-CD1 4.06Å |
| 18 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 176 | -60.4 | 166.9 | 0 | 0 | 0 | 109.6 | L6 A15 E16 I21 F22 P52 I67 L71 | L6-I18 HydrophobicContact CD1-CB 4.4Å; L6-I18 HydrophobicContact CD1-CD1 3.8Å; L6-I18 HydrophobicContact CD1-CG2 4.05Å; L6-I18 HydrophobicContact CD2-CB 4.16Å; L6-I18 HydrophobicContact CD2-CG2 3.88Å; A15-I18 WeakPolarHBondContact O-CB 3.25Å; A15-I18 PolarHBondContact O-N 2.93Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 2.81Å; I18-I21 PolarHBondContact O-N 2.98Å; I18-F22 HydrophobicContact CG2-CD2 3.75Å; I18-F22 HydrophobicContact CG2-CE2 3.41Å; I18-F22 VanDerWaalsContact CG2-CE2 3.41Å; I18-F22 HydrophobicContact CG2-CZ 4.27Å; I18-F22 WeakPolarHBondContact O-CD2 3.44Å; I18-F22 PolarHBondContact O-N 3.47Å; I18-P52 HydrophobicContact CD1-CB 4.18Å; I18-P52 HydrophobicContact CD1-CG 4.05Å; I18-I67 HydrophobicContact CD1-CB 3.93Å; I18-I67 HydrophobicContact CD1-CD1 4.06Å; I18-I67 HydrophobicContact CD1-CG2 3.65Å; I18-I67 HydrophobicContact CG1-CB 4.3Å; I18-I67 HydrophobicContact CG1-CG2 3.86Å; I18-I67 HydrophobicContact CG2-CG2 4.22Å; I18-L71 HydrophobicContact CG2-CD1 3.69Å |
| 19 | R | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 178.2 | -56.8 | -169 | -173.1 | 111.2 | -3.7 | 112.8 | L6 M11 R12 A15 E16 I17 I21 F22 A23 Y29 D31 R33 W190 | L6-R19 HydrophobicContact CD2-CG 3.6Å; M11-R19 PolarHBondContact O-NH1 3.39Å; M11-R19 PolarHBondContact O-NH2 3.38Å; R12-R19 PolarHBondContact O-NH1 3.42Å; A15-R19 PolarHBondContact O-N 2.95Å; A15-R19 VanDerWaalsContact O-N 3.17Å; E16-R19 PolarHBondContact O-N 3.2Å; E16-R19 IonicContact OE2-CZ 3.53Å; E16-R19 IonicContact OE2-NH1 2.71Å; E16-R19 PolarHBondContact OE2-NH1 3.2Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; R19-I21 VanDerWaalsContact C-N 3.33Å; R19-F22 PolarHBondContact O-N 2.94Å; R19-A23 WeakPolarHBondContact O-CB 3.34Å; R19-A23 PolarHBondContact O-N 3.22Å; R19-Y29 WeakPolarHBondContact CG-OH 3.38Å; R19-D31 IonicContact CZ-OD1 3.2Å; R19-D31 IonicContact NE-OD1 2.86Å; R19-D31 PolarHBondContact NE-OD1 3.31Å; R19-D31 IonicContact NE-OD2 2.75Å; R19-D31 PolarHBondContact NE-OD2 2.84Å; R19-D31 IonicContact NH2-OD1 2.81Å; R19-D31 PolarHBondContact NH2-OD1 3.47Å; R19-R33 VanDerWaalsContact NE-NH2 3.19Å; R19-W190 HydrophobicContact CB-CH2 4.2Å; R19-W190 HydrophobicContact CB-CZ2 3.66Å; R19-W190 HydrophobicContact CG-CH2 4.39Å; R19-W190 HydrophobicContact CG-CZ2 4.07Å |
| 20 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 174.5 | -89.3 | 39.7 | 0 | 0 | 0 | 111.3 | E16 I17 A23 Y24 F151 E154 I155 V181 I187 W190 I191 R194 | E16-Y20 HydrophobicContact CG-CD1 4.04Å; E16-Y20 HydrophobicContact CG-CE1 3.83Å; E16-Y20 WeakPolarHBondContact O-CD1 3.48Å; E16-Y20 PolarHBondContact O-N 3.18Å; I17-Y20 PolarHBondContact O-N 2.84Å; Y20-A23 PolarHBondContact O-N 3.12Å; Y20-Y24 WeakPolarHBondContact O-CB 3.46Å; Y20-Y24 PolarHBondContact O-N 3.13Å; Y20-F151 HydrophobicContact CD2-CB 4.02Å; Y20-F151 HydrophobicContact CD2-CD1 4.47Å; Y20-F151 HydrophobicContact CD2-CG 4.13Å; Y20-E154 VanDerWaalsContact CE2-OE2 3.26Å; Y20-E154 WeakPolarHBondContact CE2-OE2 3.08Å; Y20-E154 VanDerWaalsContact CZ-OE2 3.28Å; Y20-E154 PolarHBondContact OH-OE2 3.01Å; Y20-I155 HydrophobicContact CD1-CD1 4.27Å; Y20-I155 HydrophobicContact CD2-CD1 3.98Å; Y20-I155 HydrophobicContact CD2-CG1 4.24Å; Y20-I155 HydrophobicContact CE1-CG1 4.37Å; Y20-I155 HydrophobicContact CE2-CD1 4.22Å; Y20-I155 HydrophobicContact CE2-CG1 3.95Å; Y20-I155 HydrophobicContact CG-CD1 3.99Å; Y20-V181 HydrophobicContact CE2-CG1 4.4Å; Y20-I187 HydrophobicContact CD2-CD1 3.86Å; Y20-I187 HydrophobicContact CD2-CG2 3.91Å; Y20-I187 HydrophobicContact CE2-CG2 3.58Å; Y20-I187 HydrophobicContact CG-CD1 3.95Å; Y20-I187 WeakPolarHBondContact O-CD1 3.37Å; Y20-W190 AromaticContact CD1-CD1 3.4Å; Y20-W190 HydrophobicContact CD1-CG 4.5Å; Y20-W190 AromaticContact CD1-NE1 3.59Å; Y20-W190 AromaticContact CE1-CD1 3.29Å; Y20-W190 AromaticContact CE1-NE1 3.52Å; Y20-I191 HydrophobicContact CE1-CG1 4.39Å; Y20-I191 WeakPolarHBondContact OH-CD1 3.34Å; Y20-I191 WeakPolarHBondContact OH-CG1 3.3Å; Y20-R194 PolarHBondContact OH-NH1 2.67Å |
| 21 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 178.1 | -67.8 | 159.5 | 0 | 0 | 0 | 110.8 | I17 I18 R19 A23 Y24 L25 A68 L71 T72 L77 W148 | I17-I21 HydrophobicContact CD1-CD1 4.29Å; I17-I21 HydrophobicContact CG1-CD1 4.08Å; I17-I21 WeakPolarHBondContact O-CD1 3.46Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 2.86Å; I18-I21 PolarHBondContact O-N 2.98Å; R19-I21 VanDerWaalsContact C-N 3.33Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.01Å; I21-Y24 PolarHBondContact O-N 3.01Å; I21-L25 HydrophobicContact CG2-CD1 3.68Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.47Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.41Å; I21-A68 HydrophobicContact CD1-CB 3.58Å; I21-L71 HydrophobicContact CG2-CB 3.67Å; I21-L71 HydrophobicContact CG2-CD1 4.38Å; I21-T72 HydrophobicContact CD1-CG2 3.7Å; I21-T72 HydrophobicContact CG1-CG2 3.86Å; I21-T72 HydrophobicContact CG2-CG2 3.92Å; I21-L77 HydrophobicContact CG2-CD1 4.48Å; I21-W148 HydrophobicContact CD1-CB 4.37Å |
| 22 | F | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.8 | -77 | -49 | 0 | 0 | 0 | 112.3 | Y4 I18 R19 D26 I27 Y29 L54 L71 | Y4-F22 HydrophobicContact CD1-CE1 4.4Å; Y4-F22 HydrophobicContact CD1-CZ 4.22Å; Y4-F22 AromaticContact CD2-CE1 3.86Å; Y4-F22 HydrophobicContact CD2-CE1 3.86Å; Y4-F22 HydrophobicContact CD2-CZ 4.35Å; Y4-F22 HydrophobicContact CE2-CE1 4.24Å; Y4-F22 AromaticContact CG-CE1 3.94Å; Y4-F22 HydrophobicContact CG-CE1 3.94Å; Y4-F22 AromaticContact CG-CZ 3.95Å; Y4-F22 HydrophobicContact CG-CZ 3.95Å; I18-F22 HydrophobicContact CG2-CD2 3.75Å; I18-F22 HydrophobicContact CG2-CE2 3.41Å; I18-F22 VanDerWaalsContact CG2-CE2 3.41Å; I18-F22 HydrophobicContact CG2-CZ 4.27Å; I18-F22 WeakPolarHBondContact O-CD2 3.44Å; I18-F22 PolarHBondContact O-N 3.47Å; R19-F22 PolarHBondContact O-N 2.94Å; F22-D26 PolarHBondContact O-N 2.77Å; F22-D26 VanDerWaalsContact O-N 3.11Å; F22-I27 HydrophobicContact CD1-CB 3.79Å; F22-I27 HydrophobicContact CD1-CG2 3.56Å; F22-I27 HydrophobicContact CE1-CB 4.45Å; F22-I27 HydrophobicContact CE1-CG2 3.75Å; F22-I27 PolarHBondContact O-N 3.09Å; F22-Y29 HydrophobicContact CB-CD1 3.53Å; F22-Y29 HydrophobicContact CB-CE1 3.54Å; F22-Y29 HydrophobicContact CB-CG 4.37Å; F22-Y29 HydrophobicContact CD1-CD1 4.23Å; F22-Y29 HydrophobicContact CD1-CG 4.41Å; F22-Y29 AromaticContact CD2-CD1 3.48Å; F22-Y29 HydrophobicContact CD2-CD1 3.48Å; F22-Y29 VanDerWaalsContact CD2-CD1 3.48Å; F22-Y29 AromaticContact CD2-CD2 3.66Å; F22-Y29 HydrophobicContact CD2-CD2 3.66Å; F22-Y29 AromaticContact CD2-CE1 3.74Å; F22-Y29 HydrophobicContact CD2-CE1 3.74Å; F22-Y29 AromaticContact CD2-CE2 3.89Å; F22-Y29 HydrophobicContact CD2-CE2 3.89Å; F22-Y29 AromaticContact CD2-CG 3.45Å; F22-Y29 HydrophobicContact CD2-CG 3.45Å; F22-Y29 VanDerWaalsContact CD2-CG 3.45Å; F22-Y29 AromaticContact CD2-CZ 3.94Å; F22-Y29 HydrophobicContact CE2-CD1 4.19Å; F22-Y29 AromaticContact CE2-CD2 3.73Å; F22-Y29 HydrophobicContact CE2-CD2 3.73Å; F22-Y29 HydrophobicContact CE2-CE2 4.28Å; F22-Y29 AromaticContact CE2-CG 3.68Å; F22-Y29 HydrophobicContact CE2-CG 3.68Å; F22-Y29 AromaticContact CG-CD1 3.51Å; F22-Y29 HydrophobicContact CG-CD1 3.51Å; F22-Y29 HydrophobicContact CG-CD2 4.49Å; F22-Y29 AromaticContact CG-CE1 3.9Å; F22-Y29 HydrophobicContact CG-CE1 3.9Å; F22-Y29 AromaticContact CG-CG 3.86Å; F22-Y29 HydrophobicContact CG-CG 3.86Å; F22-Y29 HydrophobicContact CZ-CG 4.27Å; F22-L54 HydrophobicContact CE2-CD1 4Å; F22-L54 HydrophobicContact CZ-CD1 3.73Å; F22-L54 HydrophobicContact CZ-CD2 4.15Å; F22-L71 HydrophobicContact CD1-CD1 4.43Å; F22-L71 HydrophobicContact CE1-CD1 3.94Å; F22-L71 HydrophobicContact CE1-CD2 3.76Å; F22-L71 HydrophobicContact CE2-CD1 4.11Å; F22-L71 HydrophobicContact CZ-CD1 3.76Å; F22-L71 HydrophobicContact CZ-CD2 4.04Å |
| 23 | A | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R19 Y20 I21 L25 D26 A186 W190 | R19-A23 WeakPolarHBondContact O-CB 3.34Å; R19-A23 PolarHBondContact O-N 3.22Å; Y20-A23 PolarHBondContact O-N 3.12Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.01Å; A23-L25 PolarHBondContact O-N 3.11Å; A23-D26 PolarHBondContact O-N 2.8Å; A23-A186 WeakPolarHBondContact O-CB 3.43Å; A23-W190 HydrophobicContact CB-CB 3.8Å; A23-W190 HydrophobicContact CB-CG 4.2Å |
| 24 | Y | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 41 Ų | 41 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | -178.5 | -174.8 | -89.1 | 0 | 0 | 0 | 112.6 | Y20 I21 D26 L77 V146 F151 I184 I187 | Y20-Y24 WeakPolarHBondContact O-CB 3.46Å; Y20-Y24 PolarHBondContact O-N 3.13Å; I21-Y24 PolarHBondContact O-N 3.01Å; Y24-D26 VanDerWaalsContact C-N 3.26Å; Y24-D26 PolarHBondContact O-N 2.91Å; Y24-L77 HydrophobicContact CD1-CD1 3.55Å; Y24-L77 HydrophobicContact CD1-CD2 3.88Å; Y24-L77 HydrophobicContact CD1-CG 3.83Å; Y24-L77 HydrophobicContact CE1-CD1 4.08Å; Y24-L77 HydrophobicContact CE1-CD2 3.7Å; Y24-L77 HydrophobicContact CE1-CG 3.8Å; Y24-L77 HydrophobicContact CE2-CD2 4.48Å; Y24-L77 HydrophobicContact CG-CD1 4.17Å; Y24-L77 HydrophobicContact CG-CD2 4.34Å; Y24-V146 HydrophobicContact CE2-CG1 4.03Å; Y24-F151 HydrophobicContact CD2-CE1 4.48Å; Y24-F151 HydrophobicContact CD2-CE2 4.19Å; Y24-F151 AromaticContact CD2-CZ 3.5Å; Y24-F151 HydrophobicContact CD2-CZ 3.5Å; Y24-F151 AromaticContact CE2-CZ 3.99Å; Y24-F151 HydrophobicContact CE2-CZ 3.99Å; Y24-F151 HydrophobicContact CG-CE2 4.06Å; Y24-F151 AromaticContact CG-CZ 3.84Å; Y24-F151 HydrophobicContact CG-CZ 3.84Å; Y24-I184 HydrophobicContact CD2-CG2 3.82Å; Y24-I184 HydrophobicContact CE2-CD1 4.4Å; Y24-I184 HydrophobicContact CE2-CG2 3.77Å; Y24-I187 HydrophobicContact CD2-CG1 4.46Å |
| 25 | L | 98.4 | Very high | 98.5 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.2 | -179.4 | -62 | 177.1 | 0 | 0 | 0 | 113.4 | I21 A23 I27 L71 T75 L77 | I21-L25 HydrophobicContact CG2-CD1 3.68Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.47Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.41Å; A23-L25 PolarHBondContact O-N 3.11Å; L25-I27 HydrophobicContact CB-CD1 3.7Å; L25-I27 HydrophobicContact CB-CG1 3.87Å; L25-I27 HydrophobicContact CD1-CD1 3.95Å; L25-I27 PolarHBondContact O-N 3.17Å; L25-L71 WeakPolarHBondContact CD1-O 3.45Å; L25-T75 HydrophobicContact CD1-CG2 4.19Å; L25-T75 HydrophobicContact CD2-CG2 4.04Å; L25-L77 HydrophobicContact CD2-CD1 4.17Å; L25-L77 HydrophobicContact CG-CD1 4.23Å |
| 26 | D | 98 | Very high | 98.3 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.3 | -175.1 | -164.9 | 29.8 | 0 | 0 | 0 | 113.3 | F22 A23 Y24 | F22-D26 PolarHBondContact O-N 2.77Å; F22-D26 VanDerWaalsContact O-N 3.11Å; A23-D26 PolarHBondContact O-N 2.8Å; Y24-D26 VanDerWaalsContact C-N 3.26Å; Y24-D26 PolarHBondContact O-N 2.91Å |
| 27 | I | 97.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | trans | -94.4 | 124.5 | 179.2 | -66.6 | 170.5 | 0 | 0 | 0 | 108.9 | Y4 F22 L25 | Y4-I27 HydrophobicContact CD2-CG2 3.69Å; Y4-I27 HydrophobicContact CE2-CG2 3.71Å; F22-I27 HydrophobicContact CD1-CB 3.79Å; F22-I27 HydrophobicContact CD1-CG2 3.56Å; F22-I27 HydrophobicContact CE1-CB 4.45Å; F22-I27 HydrophobicContact CE1-CG2 3.75Å; F22-I27 PolarHBondContact O-N 3.09Å; L25-I27 HydrophobicContact CB-CD1 3.7Å; L25-I27 HydrophobicContact CB-CG1 3.87Å; L25-I27 HydrophobicContact CD1-CD1 3.95Å; L25-I27 PolarHBondContact O-N 3.17Å | ||
| 28 | Q | 97.9 | Very high | 98 | Very high | 144 Ų | 144 | 58.2 Ų | 58.2 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | trans | -73.1 | 137.7 | 175.6 | -58.9 | -58.1 | -51.6 | 0 | 0 | 111 | ||||
| 29 | Y | 98.6 | Very high | 97.9 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | trans | -153.3 | 158.6 | 177.7 | 75.1 | -72.8 | 0 | 0 | 0 | 110.5 | Y4 L6 R19 F22 D31 | Y4-Y29 WeakPolarHBondContact O-CA 3.49Å; L6-Y29 HydrophobicContact CB-CD2 3.87Å; L6-Y29 HydrophobicContact CB-CE2 3.99Å; L6-Y29 HydrophobicContact CD2-CE2 3.9Å; R19-Y29 WeakPolarHBondContact CG-OH 3.38Å; F22-Y29 HydrophobicContact CB-CD1 3.53Å; F22-Y29 HydrophobicContact CB-CE1 3.54Å; F22-Y29 HydrophobicContact CB-CG 4.37Å; F22-Y29 HydrophobicContact CD1-CD1 4.23Å; F22-Y29 HydrophobicContact CD1-CG 4.41Å; F22-Y29 AromaticContact CD2-CD1 3.48Å; F22-Y29 HydrophobicContact CD2-CD1 3.48Å; F22-Y29 VanDerWaalsContact CD2-CD1 3.48Å; F22-Y29 AromaticContact CD2-CD2 3.66Å; F22-Y29 HydrophobicContact CD2-CD2 3.66Å; F22-Y29 AromaticContact CD2-CE1 3.74Å; F22-Y29 HydrophobicContact CD2-CE1 3.74Å; F22-Y29 AromaticContact CD2-CE2 3.89Å; F22-Y29 HydrophobicContact CD2-CE2 3.89Å; F22-Y29 AromaticContact CD2-CG 3.45Å; F22-Y29 HydrophobicContact CD2-CG 3.45Å; F22-Y29 VanDerWaalsContact CD2-CG 3.45Å; F22-Y29 AromaticContact CD2-CZ 3.94Å; F22-Y29 HydrophobicContact CE2-CD1 4.19Å; F22-Y29 AromaticContact CE2-CD2 3.73Å; F22-Y29 HydrophobicContact CE2-CD2 3.73Å; F22-Y29 HydrophobicContact CE2-CE2 4.28Å; F22-Y29 AromaticContact CE2-CG 3.68Å; F22-Y29 HydrophobicContact CE2-CG 3.68Å; F22-Y29 AromaticContact CG-CD1 3.51Å; F22-Y29 HydrophobicContact CG-CD1 3.51Å; F22-Y29 HydrophobicContact CG-CD2 4.49Å; F22-Y29 AromaticContact CG-CE1 3.9Å; F22-Y29 HydrophobicContact CG-CE1 3.9Å; F22-Y29 AromaticContact CG-CG 3.86Å; F22-Y29 HydrophobicContact CG-CG 3.86Å; F22-Y29 HydrophobicContact CZ-CG 4.27Å; Y29-D31 HydrophobicContact CD2-CB 4.35Å; Y29-D31 HydrophobicContact CE2-CB 3.53Å | ||
| 30 | E | 98.5 | Very high | 97.8 | Very high | 98 Ų | 98 | 65 Ų | 65 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.4 | 166.7 | -175.5 | -170.2 | 155.2 | 0 | 0 | 109.8 | Y4 K5 L6 H32 | Y4-E30 PolarHBondContact O-N 3.43Å; K5-E30 HydrophobicContact CB-CB 4.17Å; K5-E30 WeakPolarHBondContact CD-OE2 3.23Å; K5-E30 WeakPolarHBondContact CE-OE1 3.3Å; K5-E30 HydrophobicContact CG-CB 4.11Å; K5-E30 HydrophobicContact CG-CG 4.25Å; L6-E30 PolarHBondContact N-O 3.06Å; E30-H32 HydrophobicContact CG-CB 4.33Å; E30-H32 PolarHBondContact O-N 3.34Å; E30-H32 IonicContact OE1-CG 3.41Å; E30-H32 IonicContact OE1-ND1 2.82Å; E30-H32 PolarHBondContact OE1-ND1 3.45Å |
| 31 | D | 98.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 72.2 Ų | 72.2 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 79 | 170.5 | -172 | 24.1 | 0 | 0 | 0 | 110 | R19 Y29 R33 | R19-D31 IonicContact CZ-OD1 3.2Å; R19-D31 IonicContact NE-OD1 2.86Å; R19-D31 PolarHBondContact NE-OD1 3.31Å; R19-D31 IonicContact NE-OD2 2.75Å; R19-D31 PolarHBondContact NE-OD2 2.84Å; R19-D31 IonicContact NH2-OD1 2.81Å; R19-D31 PolarHBondContact NH2-OD1 3.47Å; Y29-D31 HydrophobicContact CD2-CB 4.35Å; Y29-D31 HydrophobicContact CE2-CB 3.53Å; D31-R33 PolarHBondContact O-N 2.95Å; D31-R33 IonicContact OD1-NE 2.74Å; D31-R33 IonicContact OD1-NH2 3.88Å; D31-R33 IonicContact OD2-CZ 3.77Å; D31-R33 IonicContact OD2-NE 2.98Å; D31-R33 PolarHBondContact OD2-NE 3.12Å; D31-R33 IonicContact OD2-NH2 3.64Å; D31-R33 PolarHBondContact OD2-NH2 3.38Å |
| 32 | H | 98.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 74 Ų | 74 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 103.8 | -177.5 | -170.2 | 69.1 | 0 | 0 | 0 | 111 | K5 L6 T7 Y8 E30 | K5-H32 HydrophobicContact CD-CB 4.41Å; K5-H32 VanDerWaalsContact CE-CG 3.42Å; K5-H32 HydrophobicContact CG-CB 4.04Å; L6-H32 WeakPolarHBondContact O-CA 3.2Å; L6-H32 WeakPolarHBondContact O-CB 3.48Å; L6-H32 PolarHBondContact O-N 3.08Å; T7-H32 WeakPolarHBondContact CA-O 3.14Å; Y8-H32 PolarHBondContact N-O 3.39Å; Y8-H32 VanDerWaalsContact N-O 3.13Å; E30-H32 HydrophobicContact CG-CB 4.33Å; E30-H32 PolarHBondContact O-N 3.34Å; E30-H32 IonicContact OE1-CG 3.41Å; E30-H32 IonicContact OE1-ND1 2.82Å; E30-H32 PolarHBondContact OE1-ND1 3.45Å |
| 33 | R | 98.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 19% | 0.192 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.2 | -178.9 | -66.8 | 172.8 | -179.2 | -98.9 | -9.4 | 110.7 | Y8 N10 R19 D31 | Y8-R33 CarbonylContact O-C 3.59Å; Y8-R33 VanDerWaalsContact O-CA 3.28Å; Y8-R33 WeakPolarHBondContact O-CA 3.47Å; N10-R33 HydrophobicContact CB-CB 4.27Å; N10-R33 PolarHBondContact OD1-NH1 2.73Å; N10-R33 VanDerWaalsContact OD1-NH1 3.09Å; R19-R33 VanDerWaalsContact NE-NH2 3.19Å; D31-R33 PolarHBondContact O-N 2.95Å; D31-R33 IonicContact OD1-NE 2.74Å; D31-R33 IonicContact OD1-NH2 3.88Å; D31-R33 IonicContact OD2-CZ 3.77Å; D31-R33 IonicContact OD2-NE 2.98Å; D31-R33 PolarHBondContact OD2-NE 3.12Å; D31-R33 IonicContact OD2-NH2 3.64Å; D31-R33 PolarHBondContact OD2-NH2 3.38Å |
| 34 | I | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 150.4 | -178.7 | 68.2 | 165.6 | 0 | 0 | 0 | 110.8 | T7 Y8 F9 W39 I42 I51 | T7-I34 HydrophobicContact CG2-CG2 3.81Å; Y8-I34 PolarHBondContact O-N 3.38Å; F9-I34 HydrophobicContact CD1-CD1 4.27Å; F9-I34 HydrophobicContact CD1-CG1 3.86Å; F9-I34 HydrophobicContact CE1-CD1 4.04Å; F9-I34 HydrophobicContact CE1-CG1 4.11Å; I34-W39 HydrophobicContact CD1-CE3 3.86Å; I34-I42 HydrophobicContact CB-CD1 3.98Å; I34-I42 HydrophobicContact CD1-CD1 3.84Å; I34-I42 HydrophobicContact CD1-CG2 4.46Å; I34-I42 HydrophobicContact CG2-CD1 3.43Å; I34-I42 VanDerWaalsContact CG2-CD1 3.43Å; I34-I51 HydrophobicContact CD1-CD1 3.99Å; I34-I51 HydrophobicContact CG1-CD1 4.42Å |
| 35 | E | 97 | Very high | 96.9 | Very high | 108 Ų | 108 | 83.4 Ų | 83.4 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 163 | 172.7 | -65.8 | -59.7 | 151.3 | 0 | 0 | 110.9 | A37 D38 W39 | E35-A37 PolarHBondContact O-N 3.43Å; E35-D38 PolarHBondContact N-OD2 2.89Å; E35-D38 VanDerWaalsContact N-OD2 3.13Å; E35-D38 PolarHBondContact O-N 3.2Å; E35-D38 VanDerWaalsContact O-N 3.14Å; E35-W39 PolarHBondContact O-N 3.09Å |
| 36 | Q | 94.1 | Very high | 96.7 | Very high | 167 Ų | 167 | 82 Ų | 82 | 78% | 0.78 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.5 | -179.5 | -67.6 | -177.4 | 21.7 | 0 | 0 | 112.8 | D38 W39 | Q36-D38 VanDerWaalsContact C-N 3.32Å; Q36-W39 WeakPolarHBondContact O-CB 3.32Å; Q36-W39 PolarHBondContact O-N 2.92Å |
| 37 | A | 97.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 79.9 Ų | 79.9 | 74% | 0.744 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -31.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E35 P40 | E35-A37 PolarHBondContact O-N 3.43Å; A37-P40 WeakPolarHBondContact O-CD 3.33Å |
| 38 | D | 95.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 84.3 Ų | 84.3 | 40% | 0.401 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19.7 | -178.9 | -47.8 | -43.8 | 0 | 0 | 0 | 111.9 | E35 Q36 E41 I42 | E35-D38 PolarHBondContact N-OD2 2.89Å; E35-D38 VanDerWaalsContact N-OD2 3.13Å; E35-D38 PolarHBondContact O-N 3.2Å; E35-D38 VanDerWaalsContact O-N 3.14Å; Q36-D38 VanDerWaalsContact C-N 3.32Å; D38-E41 PolarHBondContact O-N 2.88Å; D38-I42 HydrophobicContact CB-CD1 4.09Å; D38-I42 PolarHBondContact O-N 2.93Å; D38-I42 VanDerWaalsContact O-N 3.13Å |
| 39 | W | 96.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 78 Ų | 78 | 20% | 0.197 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.6 | -43 | -172.8 | 175.5 | -128.6 | 0 | 0 | 0 | 114.9 | F9 I34 E35 Q36 E41 I42 K43 L46 G49 I51 | F9-W39 HydrophobicContact CE1-CB 3.92Å; F9-W39 HydrophobicContact CE1-CG 4.16Å; F9-W39 HydrophobicContact CZ-CB 4Å; F9-W39 AromaticContact CZ-CD2 3.96Å; F9-W39 HydrophobicContact CZ-CD2 3.96Å; F9-W39 HydrophobicContact CZ-CE3 4.48Å; F9-W39 AromaticContact CZ-CG 3.72Å; F9-W39 HydrophobicContact CZ-CG 3.72Å; I34-W39 HydrophobicContact CD1-CE3 3.86Å; E35-W39 PolarHBondContact O-N 3.09Å; Q36-W39 WeakPolarHBondContact O-CB 3.32Å; Q36-W39 PolarHBondContact O-N 2.92Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.14Å; W39-I42 HydrophobicContact CE3-CB 4.4Å; W39-I42 HydrophobicContact CE3-CG2 4.38Å; W39-I42 HydrophobicContact CZ3-CG2 4.27Å; W39-I42 PolarHBondContact O-N 3.26Å; W39-K43 HydrophobicContact CD2-CB 3.98Å; W39-K43 HydrophobicContact CE3-CB 3.99Å; W39-K43 HydrophobicContact CH2-CB 3.74Å; W39-K43 HydrophobicContact CH2-CD 4.41Å; W39-K43 HydrophobicContact CH2-CG 3.81Å; W39-K43 HydrophobicContact CZ2-CB 3.73Å; W39-K43 HydrophobicContact CZ2-CD 3.69Å; W39-K43 HydrophobicContact CZ2-CG 3.6Å; W39-K43 HydrophobicContact CZ3-CB 3.86Å; W39-K43 HydrophobicContact CZ3-CG 4.45Å; W39-K43 WeakPolarHBondContact O-CB 3.31Å; W39-K43 PolarHBondContact O-N 3.19Å; W39-L46 HydrophobicContact CH2-CD1 4.11Å; W39-L46 HydrophobicContact CZ3-CD1 3.89Å; W39-G49 WeakPolarHBondContact CZ2-O 3.3Å; W39-I51 HydrophobicContact CE3-CD1 4.4Å; W39-I51 HydrophobicContact CH2-CG1 4.11Å; W39-I51 HydrophobicContact CH2-CG2 4.25Å; W39-I51 HydrophobicContact CZ3-CB 4.47Å; W39-I51 HydrophobicContact CZ3-CD1 4.3Å; W39-I51 HydrophobicContact CZ3-CG1 3.98Å; W39-I51 HydrophobicContact CZ3-CG2 3.77Å |
| 40 | P | 96.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 82.5 Ų | 82.5 | 58% | 0.584 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 179.7 | -25.4 | 36.1 | 0 | 0 | 0 | 113.3 | A37 | A37-P40 WeakPolarHBondContact O-CD 3.33Å |
| 41 | E | 96.4 | Very high | 96.2 | Very high | 152 Ų | 152 | 78.9 Ų | 78.9 | 71% | 0.71 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69 | -51.8 | 178.4 | -175.9 | 174.8 | 175.2 | 0 | 0 | 110.5 | D38 W39 K43 S44 | D38-E41 PolarHBondContact O-N 2.88Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.14Å; E41-K43 VanDerWaalsContact C-N 3.35Å; E41-K43 PolarHBondContact O-N 3.13Å; E41-S44 WeakPolarHBondContact O-CB 3.36Å; E41-S44 PolarHBondContact O-N 3.34Å; E41-S44 PolarHBondContact O-OG 2.87Å |
| 42 | I | 94.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 77 Ų | 77 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | -179.9 | -65.7 | 176.7 | 0 | 0 | 0 | 111.1 | I34 D38 W39 S44 T45 L46 | I34-I42 HydrophobicContact CB-CD1 3.98Å; I34-I42 HydrophobicContact CD1-CD1 3.84Å; I34-I42 HydrophobicContact CD1-CG2 4.46Å; I34-I42 HydrophobicContact CG2-CD1 3.43Å; I34-I42 VanDerWaalsContact CG2-CD1 3.43Å; D38-I42 HydrophobicContact CB-CD1 4.09Å; D38-I42 PolarHBondContact O-N 2.93Å; D38-I42 VanDerWaalsContact O-N 3.13Å; W39-I42 HydrophobicContact CE3-CB 4.4Å; W39-I42 HydrophobicContact CE3-CG2 4.38Å; W39-I42 HydrophobicContact CZ3-CG2 4.27Å; W39-I42 PolarHBondContact O-N 3.26Å; I42-S44 PolarHBondContact O-N 3.22Å; I42-S44 VanDerWaalsContact O-N 3.1Å; I42-T45 PolarHBondContact O-N 3.44Å; I42-T45 PolarHBondContact O-OG1 3.21Å; I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å |
| 43 | K | 95.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 74.4 Ų | 74.4 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -54.2 | -35.6 | 180 | -176.2 | -178.7 | 179.6 | -172.9 | 0 | 112.4 | W39 E41 T45 L46 | W39-K43 HydrophobicContact CD2-CB 3.98Å; W39-K43 HydrophobicContact CE3-CB 3.99Å; W39-K43 HydrophobicContact CH2-CB 3.74Å; W39-K43 HydrophobicContact CH2-CD 4.41Å; W39-K43 HydrophobicContact CH2-CG 3.81Å; W39-K43 HydrophobicContact CZ2-CB 3.73Å; W39-K43 HydrophobicContact CZ2-CD 3.69Å; W39-K43 HydrophobicContact CZ2-CG 3.6Å; W39-K43 HydrophobicContact CZ3-CB 3.86Å; W39-K43 HydrophobicContact CZ3-CG 4.45Å; W39-K43 WeakPolarHBondContact O-CB 3.31Å; W39-K43 PolarHBondContact O-N 3.19Å; E41-K43 VanDerWaalsContact C-N 3.35Å; E41-K43 PolarHBondContact O-N 3.13Å; K43-T45 PolarHBondContact O-N 3.46Å; K43-L46 PolarHBondContact O-N 3.1Å |
| 44 | S | 95.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 72 Ų | 72 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.2 | -20.5 | -178.5 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | E41 I42 | E41-S44 WeakPolarHBondContact O-CB 3.36Å; E41-S44 PolarHBondContact O-N 3.34Å; E41-S44 PolarHBondContact O-OG 2.87Å; I42-S44 PolarHBondContact O-N 3.22Å; I42-S44 VanDerWaalsContact O-N 3.1Å |
| 45 | T | 93.4 | Very high | 96.2 | Very high | 105 Ų | 105 | 74.5 Ų | 74.5 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -90.7 | -12.7 | 179.6 | 73 | 0 | 0 | 0 | 0 | 113 | I42 K43 | I42-T45 PolarHBondContact O-N 3.44Å; I42-T45 PolarHBondContact O-OG1 3.21Å; K43-T45 PolarHBondContact O-N 3.46Å |
| 46 | L | 94.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -92.7 | 137.2 | -172.6 | -55.9 | -175.5 | 0 | 0 | 0 | 112.3 | W39 I42 K43 F48 G49 K50 I51 I53 | W39-L46 HydrophobicContact CH2-CD1 4.11Å; W39-L46 HydrophobicContact CZ3-CD1 3.89Å; I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å; K43-L46 PolarHBondContact O-N 3.1Å; L46-F48 VanDerWaalsContact C-N 3.25Å; L46-F48 PolarHBondContact O-N 3.13Å; L46-F48 VanDerWaalsContact O-N 3.13Å; L46-G49 PolarHBondContact O-N 3.45Å; L46-G49 VanDerWaalsContact O-N 3.14Å; L46-K50 WeakPolarHBondContact CD1-O 3.36Å; L46-I51 HydrophobicContact CD1-CG2 3.6Å; L46-I53 HydrophobicContact CD1-CG2 4.24Å; L46-I53 HydrophobicContact CD2-CD1 3.59Å; L46-I53 HydrophobicContact CD2-CG1 4.36Å; L46-I53 HydrophobicContact CD2-CG2 4.2Å |
| 47 | P | 87.8 | Confident | 96.2 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -33.2 | -174.5 | 22.1 | -33.3 | 0 | 0 | 0 | 113.7 | ||
| 48 | F | 96.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 66 Ų | 66 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 7.3 | 179.4 | -65.2 | -84.2 | 0 | 0 | 0 | 113.2 | L46 K50 H62 | L46-F48 VanDerWaalsContact C-N 3.25Å; L46-F48 PolarHBondContact O-N 3.13Å; L46-F48 VanDerWaalsContact O-N 3.13Å; F48-K50 WeakPolarHBondContact O-CG 3.39Å; F48-K50 PolarHBondContact O-N 3.26Å; F48-H62 AromaticContact CD2-CD2 3.69Å; F48-H62 AromaticContact CD2-CE1 3.29Å; F48-H62 WeakPolarHBondContact CD2-CE1 3.47Å; F48-H62 AromaticContact CD2-CG 3.91Å; F48-H62 AromaticContact CD2-ND1 3.66Å; F48-H62 AromaticContact CD2-NE2 3.3Å; F48-H62 VanDerWaalsContact CD2-NE2 3.3Å; F48-H62 WeakPolarHBondContact CD2-NE2 3.46Å; F48-H62 AromaticContact CE2-CD2 3.86Å; F48-H62 AromaticContact CE2-CE1 3.34Å; F48-H62 WeakPolarHBondContact CE2-CE1 3.41Å; F48-H62 AromaticContact CE2-NE2 3.08Å; F48-H62 WeakPolarHBondContact CE2-NE2 3.34Å |
| 49 | G | 97.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 56.9 | 33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W39 L46 | W39-G49 WeakPolarHBondContact CZ2-O 3.3Å; L46-G49 PolarHBondContact O-N 3.45Å; L46-G49 VanDerWaalsContact O-N 3.14Å |
| 50 | K | 98.1 | Very high | 95.9 | Very high | 145 Ų | 145 | 69 Ų | 69 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | trans | -138.1 | 150.9 | -179.5 | -58.7 | -63.2 | 171 | 63.1 | 0 | 111.2 | L46 F48 | L46-K50 WeakPolarHBondContact CD1-O 3.36Å; F48-K50 WeakPolarHBondContact O-CG 3.39Å; F48-K50 PolarHBondContact O-N 3.26Å | ||
| 51 | I | 98.4 | Very high | 96 | Very high | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -119.1 | 154.8 | 170 | 48.3 | 164 | 0 | 0 | 0 | 109 | T7 Y8 F9 I34 W39 L46 | T7-I51 HydrophobicContact CG2-CG2 4.46Å; Y8-I51 HydrophobicContact CD2-CB 3.92Å; Y8-I51 HydrophobicContact CD2-CD1 3.86Å; Y8-I51 HydrophobicContact CD2-CG1 3.94Å; Y8-I51 HydrophobicContact CE2-CB 4.47Å; Y8-I51 HydrophobicContact CE2-CD1 4.33Å; Y8-I51 HydrophobicContact CE2-CG1 4.2Å; Y8-I51 HydrophobicContact CG-CD1 4.45Å; F9-I51 HydrophobicContact CD1-CD1 4.29Å; F9-I51 HydrophobicContact CD2-CD1 3.54Å; F9-I51 HydrophobicContact CD2-CG1 4.48Å; F9-I51 HydrophobicContact CE1-CD1 4.31Å; F9-I51 HydrophobicContact CE2-CD1 3.59Å; F9-I51 HydrophobicContact CE2-CG1 4.3Å; F9-I51 HydrophobicContact CG-CD1 3.91Å; F9-I51 HydrophobicContact CZ-CD1 3.98Å; I34-I51 HydrophobicContact CD1-CD1 3.99Å; I34-I51 HydrophobicContact CG1-CD1 4.42Å; W39-I51 HydrophobicContact CE3-CD1 4.4Å; W39-I51 HydrophobicContact CH2-CG1 4.11Å; W39-I51 HydrophobicContact CH2-CG2 4.25Å; W39-I51 HydrophobicContact CZ3-CB 4.47Å; W39-I51 HydrophobicContact CZ3-CD1 4.3Å; W39-I51 HydrophobicContact CZ3-CG1 3.98Å; W39-I51 HydrophobicContact CZ3-CG2 3.77Å; L46-I51 HydrophobicContact CD1-CG2 3.6Å |
| 52 | P | 98.6 | Very high | 96 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.032 | 35% | 0.351 | C | S | . | . | cis | -75.1 | 152.2 | 9.3 | 31 | -34.7 | 0 | 0 | 0 | 114 | L6 T7 Y8 R14 A15 I18 | L6-P52 HydrophobicContact CD1-CB 3.99Å; T7-P52 WeakPolarHBondContact O-CA 3.34Å; Y8-P52 HydrophobicContact CD2-CB 3.74Å; Y8-P52 HydrophobicContact CD2-CG 4.25Å; Y8-P52 HydrophobicContact CE2-CB 4.41Å; Y8-P52 HydrophobicContact CE2-CG 4.45Å; Y8-P52 HydrophobicContact CG-CB 4.36Å; R14-P52 HydrophobicContact CB-CG 4.36Å; A15-P52 HydrophobicContact CB-CB 4.1Å; A15-P52 HydrophobicContact CB-CG 4.46Å; I18-P52 HydrophobicContact CD1-CB 4.18Å; I18-P52 HydrophobicContact CD1-CG 4.05Å | ||
| 53 | I | 98.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.9 | 162.7 | 59 | 154.2 | 0 | 0 | 0 | 109.6 | L6 T7 L46 E55 T60 L61 H62 | L6-I53 WeakPolarHBondContact CD1-O 3.17Å; T7-I53 PolarHBondContact N-O 3.45Å; T7-I53 PolarHBondContact O-N 2.96Å; L46-I53 HydrophobicContact CD1-CG2 4.24Å; L46-I53 HydrophobicContact CD2-CD1 3.59Å; L46-I53 HydrophobicContact CD2-CG1 4.36Å; L46-I53 HydrophobicContact CD2-CG2 4.2Å; I53-E55 HydrophobicContact CD1-CG 4.37Å; I53-T60 HydrophobicContact CB-CG2 3.87Å; I53-T60 HydrophobicContact CD1-CG2 3.71Å; I53-T60 HydrophobicContact CG1-CG2 4.4Å; I53-T60 HydrophobicContact CG2-CG2 4.03Å; I53-L61 CarbonylContact C-O 3.54Å; I53-L61 WeakPolarHBondContact CA-O 3.39Å; I53-L61 VanDerWaalsContact CB-O 3.3Å; I53-L61 WeakPolarHBondContact CB-O 3.34Å; I53-H62 HydrophobicContact CG2-CB 4.09Å |
| 54 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.1 | 170.6 | -180 | 69.8 | 0 | 0 | 0 | 108.7 | Y4 K5 L6 F22 V56 L61 I67 L71 | Y4-L54 HydrophobicContact CD1-CD1 4.1Å; Y4-L54 HydrophobicContact CD1-CD2 3.98Å; Y4-L54 HydrophobicContact CD1-CG 4.22Å; Y4-L54 HydrophobicContact CE1-CD2 4.21Å; K5-L54 WeakPolarHBondContact O-CA 3.34Å; L6-L54 HydrophobicContact CB-CD1 4.3Å; F22-L54 HydrophobicContact CE2-CD1 4Å; F22-L54 HydrophobicContact CZ-CD1 3.73Å; F22-L54 HydrophobicContact CZ-CD2 4.15Å; L54-V56 HydrophobicContact CD2-CG2 3.86Å; L54-V56 HydrophobicContact CG-CG2 3.91Å; L54-L61 HydrophobicContact CB-CB 4.49Å; L54-L61 PolarHBondContact N-O 3.44Å; L54-L61 PolarHBondContact O-N 3.46Å; L54-I67 HydrophobicContact CB-CD1 3.92Å; L54-I67 HydrophobicContact CB-CG1 4.23Å; L54-I67 HydrophobicContact CB-CG2 3.81Å; L54-I67 HydrophobicContact CD2-CG2 3.57Å; L54-I67 HydrophobicContact CG-CG2 4.3Å; L54-L71 HydrophobicContact CD2-CD1 4.24Å; L54-L71 HydrophobicContact CD2-CD2 4.08Å; L54-L71 HydrophobicContact CD2-CG 4.34Å |
| 55 | E | 98 | Very high | 96.6 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.5 | 169.5 | -59.8 | 176.4 | 79.4 | 0 | 0 | 108.8 | Y4 K5 I53 L59 | Y4-E55 WeakPolarHBondContact CA-O 3.39Å; K5-E55 HydrophobicContact CB-CB 4.25Å; K5-E55 VanDerWaalsContact CD-OE2 3.32Å; K5-E55 WeakPolarHBondContact CD-OE2 3.41Å; K5-E55 PolarHBondContact N-O 3.48Å; K5-E55 VanDerWaalsContact N-O 3.09Å; K5-E55 IonicContact NZ-OE2 2.8Å; K5-E55 PolarHBondContact O-N 2.85Å; I53-E55 HydrophobicContact CD1-CG 4.37Å; E55-L59 CarbonylContact C-O 3.57Å; E55-L59 WeakPolarHBondContact CA-O 3.27Å |
| 56 | V | 97.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 105.5 | 178 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | P2 Y4 L54 G58 L59 L61 Y70 | P2-V56 HydrophobicContact CB-CG1 4.01Å; Y4-V56 HydrophobicContact CD1-CB 4.37Å; Y4-V56 HydrophobicContact CD1-CG1 4.18Å; Y4-V56 HydrophobicContact CD1-CG2 3.83Å; Y4-V56 HydrophobicContact CE1-CB 4.16Å; Y4-V56 HydrophobicContact CE1-CG1 3.61Å; Y4-V56 HydrophobicContact CE1-CG2 3.65Å; L54-V56 HydrophobicContact CD2-CG2 3.86Å; L54-V56 HydrophobicContact CG-CG2 3.91Å; V56-G58 PolarHBondContact O-N 3.34Å; V56-G58 VanDerWaalsContact O-N 3.12Å; V56-L59 PolarHBondContact N-O 3.06Å; V56-L59 WeakPolarHBondContact O-CB 3.35Å; V56-L59 PolarHBondContact O-N 3.15Å; V56-L61 HydrophobicContact CG2-CD1 3.87Å; V56-L61 HydrophobicContact CG2-CG 4.29Å; V56-Y70 HydrophobicContact CG2-CE1 4.32Å |
| 57 | D | 94.4 | Very high | 97 | Very high | 109 Ų | 109 | 55 Ų | 55 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 39.4 | -176.2 | -64.1 | -29 | 0 | 0 | 0 | 113.3 | P2 N3 | P2-D57 VanDerWaalsContact CA-OD1 3.25Å; P2-D57 WeakPolarHBondContact CA-OD1 3.43Å; P2-D57 WeakPolarHBondContact CB-OD2 3.33Å; N3-D57 PolarHBondContact N-OD1 2.84Å; N3-D57 PolarHBondContact O-N 2.8Å |
| 58 | G | 89.7 | Confident | 97.5 | Very high | 63 Ų | 63 | 51 Ų | 51 | 65% | 0.649 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | V56 | V56-G58 PolarHBondContact O-N 3.34Å; V56-G58 VanDerWaalsContact O-N 3.12Å |
| 59 | L | 95.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 48.5 Ų | 48.5 | 68% | 0.681 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.6 | 171.3 | -62.3 | 177.8 | 0 | 0 | 0 | 110.8 | E55 V56 | E55-L59 CarbonylContact C-O 3.57Å; E55-L59 WeakPolarHBondContact CA-O 3.27Å; V56-L59 PolarHBondContact N-O 3.06Å; V56-L59 WeakPolarHBondContact O-CB 3.35Å; V56-L59 PolarHBondContact O-N 3.15Å |
| 60 | T | 97.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 53 Ų | 53 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 113.6 | 179.7 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | I53 | I53-T60 HydrophobicContact CB-CG2 3.87Å; I53-T60 HydrophobicContact CD1-CG2 3.71Å; I53-T60 HydrophobicContact CG1-CG2 4.4Å; I53-T60 HydrophobicContact CG2-CG2 4.03Å |
| 61 | L | 98.3 | Very high | 97.7 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 149.8 | 167.2 | -52.5 | -177.9 | 0 | 0 | 0 | 110.2 | I53 L54 V56 I67 Y70 | I53-L61 CarbonylContact C-O 3.54Å; I53-L61 WeakPolarHBondContact CA-O 3.39Å; I53-L61 VanDerWaalsContact CB-O 3.3Å; I53-L61 WeakPolarHBondContact CB-O 3.34Å; L54-L61 HydrophobicContact CB-CB 4.49Å; L54-L61 PolarHBondContact N-O 3.44Å; L54-L61 PolarHBondContact O-N 3.46Å; V56-L61 HydrophobicContact CG2-CD1 3.87Å; V56-L61 HydrophobicContact CG2-CG 4.29Å; L61-I67 HydrophobicContact CB-CD1 4.4Å; L61-I67 HydrophobicContact CB-CG1 3.91Å; L61-Y70 HydrophobicContact CD1-CD1 3.95Å; L61-Y70 HydrophobicContact CD1-CE1 4.16Å; L61-Y70 HydrophobicContact CD1-CG 4.26Å |
| 62 | H | 98.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 174.4 | 175.7 | 67.9 | 91.3 | 0 | 0 | 0 | 110.4 | F48 I53 | F48-H62 AromaticContact CD2-CD2 3.69Å; F48-H62 AromaticContact CD2-CE1 3.29Å; F48-H62 WeakPolarHBondContact CD2-CE1 3.47Å; F48-H62 AromaticContact CD2-CG 3.91Å; F48-H62 AromaticContact CD2-ND1 3.66Å; F48-H62 AromaticContact CD2-NE2 3.3Å; F48-H62 VanDerWaalsContact CD2-NE2 3.3Å; F48-H62 WeakPolarHBondContact CD2-NE2 3.46Å; F48-H62 AromaticContact CE2-CD2 3.86Å; F48-H62 AromaticContact CE2-CE1 3.34Å; F48-H62 WeakPolarHBondContact CE2-CE1 3.41Å; F48-H62 AromaticContact CE2-NE2 3.08Å; F48-H62 WeakPolarHBondContact CE2-NE2 3.34Å; I53-H62 HydrophobicContact CG2-CB 4.09Å |
| 63 | Q | 98.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | trans | 68.9 | 113.3 | -169.5 | -66.7 | -69.9 | 5.9 | 0 | 0 | 113.3 | L65 A66 I67 | Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 3.16Å; Q63-A66 HydrophobicContact CB-CB 3.94Å; Q63-A66 PolarHBondContact O-N 2.85Å; Q63-I67 WeakPolarHBondContact O-CG1 3.32Å; Q63-I67 PolarHBondContact O-N 2.83Å | ||
| 64 | S | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.9 | -43.7 | -174.6 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | R14 A68 | R14-S64 WeakPolarHBondContact O-CB 3.44Å; S64-A68 WeakPolarHBondContact O-CB 3.46Å; S64-A68 PolarHBondContact O-N 3Å |
| 65 | L | 98.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.7 | -32.4 | -175.6 | -51.2 | -176.2 | 0 | 0 | 0 | 112.5 | Q63 A68 R69 V92 D96 W148 Y152 | Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 3.16Å; L65-A68 PolarHBondContact O-N 2.83Å; L65-R69 WeakPolarHBondContact O-CB 3.28Å; L65-R69 PolarHBondContact O-N 3.41Å; L65-V92 HydrophobicContact CD1-CG1 3.79Å; L65-V92 HydrophobicContact CD2-CG1 3.73Å; L65-V92 HydrophobicContact CG-CG1 4.25Å; L65-D96 HydrophobicContact CD1-CB 3.82Å; L65-W148 HydrophobicContact CB-CH2 4.45Å; L65-W148 HydrophobicContact CD2-CZ3 4.18Å; L65-Y152 HydrophobicContact CD2-CD2 4.46Å; L65-Y152 HydrophobicContact CD2-CE1 4.2Å; L65-Y152 HydrophobicContact CD2-CE2 3.82Å |
| 66 | A | 98.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q63 R69 Y70 | Q63-A66 HydrophobicContact CB-CB 3.94Å; Q63-A66 PolarHBondContact O-N 2.85Å; A66-R69 PolarHBondContact O-N 2.79Å; A66-Y70 WeakPolarHBondContact O-CB 3.31Å; A66-Y70 PolarHBondContact O-N 2.85Å |
| 67 | I | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 173.8 | -64.7 | 162.7 | 0 | 0 | 0 | 110.6 | I18 L54 L61 Q63 R69 Y70 L71 | I18-I67 HydrophobicContact CD1-CB 3.93Å; I18-I67 HydrophobicContact CD1-CD1 4.06Å; I18-I67 HydrophobicContact CD1-CG2 3.65Å; I18-I67 HydrophobicContact CG1-CB 4.3Å; I18-I67 HydrophobicContact CG1-CG2 3.86Å; I18-I67 HydrophobicContact CG2-CG2 4.22Å; L54-I67 HydrophobicContact CB-CD1 3.92Å; L54-I67 HydrophobicContact CB-CG1 4.23Å; L54-I67 HydrophobicContact CB-CG2 3.81Å; L54-I67 HydrophobicContact CD2-CG2 3.57Å; L54-I67 HydrophobicContact CG-CG2 4.3Å; L61-I67 HydrophobicContact CB-CD1 4.4Å; L61-I67 HydrophobicContact CB-CG1 3.91Å; Q63-I67 WeakPolarHBondContact O-CG1 3.32Å; Q63-I67 PolarHBondContact O-N 2.83Å; I67-R69 PolarHBondContact O-N 3.34Å; I67-Y70 WeakPolarHBondContact O-CB 3.01Å; I67-Y70 PolarHBondContact O-N 3.1Å; I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CG 3.24Å; I67-L71 PolarHBondContact O-N 3.38Å |
| 68 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -49.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I17 I21 S64 L65 Y70 L71 T72 W148 | I17-A68 HydrophobicContact CG1-CB 4.07Å; I17-A68 HydrophobicContact CG2-CB 4.36Å; I21-A68 HydrophobicContact CD1-CB 3.58Å; S64-A68 WeakPolarHBondContact O-CB 3.46Å; S64-A68 PolarHBondContact O-N 3Å; L65-A68 PolarHBondContact O-N 2.83Å; A68-Y70 VanDerWaalsContact C-N 3.33Å; A68-Y70 PolarHBondContact O-N 2.85Å; A68-L71 PolarHBondContact O-N 2.86Å; A68-T72 WeakPolarHBondContact O-CG2 3.04Å; A68-T72 PolarHBondContact O-N 2.84Å; A68-T72 PolarHBondContact O-OG1 3.42Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å; A68-W148 HydrophobicContact CB-CE3 3.93Å; A68-W148 HydrophobicContact CB-CH2 4.45Å; A68-W148 HydrophobicContact CB-CZ3 3.81Å |
| 69 | R | 98.8 | Very high | 97.9 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.6 | -169.7 | -178.1 | -60.5 | 101.7 | 5.8 | 112.9 | L65 A66 I67 T72 K73 D89 W148 | L65-R69 WeakPolarHBondContact O-CB 3.28Å; L65-R69 PolarHBondContact O-N 3.41Å; A66-R69 PolarHBondContact O-N 2.79Å; I67-R69 PolarHBondContact O-N 3.34Å; R69-T72 PolarHBondContact O-OG1 3.23Å; R69-K73 PolarHBondContact O-N 2.94Å; R69-D89 IonicContact CZ-OD1 3.72Å; R69-D89 IonicContact CZ-OD2 3.21Å; R69-D89 VanDerWaalsContact NE-CG 3.29Å; R69-D89 IonicContact NE-OD1 3.78Å; R69-D89 PolarHBondContact NE-OD1 2.99Å; R69-D89 IonicContact NE-OD2 2.77Å; R69-D89 PolarHBondContact NE-OD2 3.35Å; R69-D89 VanDerWaalsContact NE-OD2 3.09Å; R69-D89 VanDerWaalsContact NH2-CG 3.35Å; R69-D89 IonicContact NH2-OD1 3.09Å; R69-D89 PolarHBondContact NH2-OD1 2.65Å; R69-D89 IonicContact NH2-OD2 3.29Å; R69-W148 HydrophobicContact CB-CZ2 4.36Å |
| 70 | Y | 98.6 | Very high | 98 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 173.8 | 165.6 | -99.9 | 0 | 0 | 0 | 111.6 | Y4 V56 L61 A66 I67 A68 K73 | Y4-Y70 HydrophobicContact CE1-CE1 4.41Å; V56-Y70 HydrophobicContact CG2-CE1 4.32Å; L61-Y70 HydrophobicContact CD1-CD1 3.95Å; L61-Y70 HydrophobicContact CD1-CE1 4.16Å; L61-Y70 HydrophobicContact CD1-CG 4.26Å; A66-Y70 WeakPolarHBondContact O-CB 3.31Å; A66-Y70 PolarHBondContact O-N 2.85Å; I67-Y70 WeakPolarHBondContact O-CB 3.01Å; I67-Y70 PolarHBondContact O-N 3.1Å; A68-Y70 VanDerWaalsContact C-N 3.33Å; A68-Y70 PolarHBondContact O-N 2.85Å; Y70-K73 WeakPolarHBondContact O-CB 3.47Å; Y70-K73 PolarHBondContact O-N 3.19Å |
| 71 | L | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.8 | -29.7 | -178 | -68.8 | 174.1 | 0 | 0 | 0 | 113.4 | Y4 I18 I21 F22 L25 L54 I67 A68 | Y4-L71 HydrophobicContact CE1-CD2 4.24Å; I18-L71 HydrophobicContact CG2-CD1 3.69Å; I21-L71 HydrophobicContact CG2-CB 3.67Å; I21-L71 HydrophobicContact CG2-CD1 4.38Å; F22-L71 HydrophobicContact CD1-CD1 4.43Å; F22-L71 HydrophobicContact CE1-CD1 3.94Å; F22-L71 HydrophobicContact CE1-CD2 3.76Å; F22-L71 HydrophobicContact CE2-CD1 4.11Å; F22-L71 HydrophobicContact CZ-CD1 3.76Å; F22-L71 HydrophobicContact CZ-CD2 4.04Å; L25-L71 WeakPolarHBondContact CD1-O 3.45Å; L54-L71 HydrophobicContact CD2-CD1 4.24Å; L54-L71 HydrophobicContact CD2-CD2 4.08Å; L54-L71 HydrophobicContact CD2-CG 4.34Å; I67-L71 HydrophobicContact CG2-CD1 4.01Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CG 3.24Å; I67-L71 PolarHBondContact O-N 3.38Å; A68-L71 PolarHBondContact O-N 2.86Å |
| 72 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.7 | -8.1 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | I21 A68 R69 N74 T75 L77 A78 W148 | I21-T72 HydrophobicContact CD1-CG2 3.7Å; I21-T72 HydrophobicContact CG1-CG2 3.86Å; I21-T72 HydrophobicContact CG2-CG2 3.92Å; A68-T72 WeakPolarHBondContact O-CG2 3.04Å; A68-T72 PolarHBondContact O-N 2.84Å; A68-T72 PolarHBondContact O-OG1 3.42Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å; R69-T72 PolarHBondContact O-OG1 3.23Å; T72-N74 PolarHBondContact O-N 3.31Å; T72-T75 WeakPolarHBondContact O-CB 3.32Å; T72-T75 PolarHBondContact O-N 3.21Å; T72-T75 PolarHBondContact O-OG1 2.86Å; T72-L77 HydrophobicContact CG2-CB 3.81Å; T72-L77 HydrophobicContact CG2-CD1 4.02Å; T72-A78 WeakPolarHBondContact O-CB 3.39Å; T72-W148 HydrophobicContact CG2-CB 4Å; T72-W148 HydrophobicContact CG2-CG 4.04Å |
| 73 | K | 97 | Very high | 98 | Very high | 143 Ų | 143 | 62.2 Ų | 62.2 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 134 | -178.9 | -165.4 | 174.4 | -175.6 | 176.3 | 0 | 111 | R69 Y70 T75 | R69-K73 PolarHBondContact O-N 2.94Å; Y70-K73 WeakPolarHBondContact O-CB 3.47Å; Y70-K73 PolarHBondContact O-N 3.19Å; K73-T75 PolarHBondContact O-N 2.8Å |
| 74 | N | 93.4 | Very high | 98 | Very high | 156 Ų | 156 | 58.4 Ų | 58.4 | 83% | 0.834 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 23.8 | -175.3 | -45.9 | -43.4 | 0 | 0 | 0 | 114.3 | T72 | T72-N74 PolarHBondContact O-N 3.31Š|
| 75 | T | 97.8 | Very high | 98 | Very high | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.233 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -121.5 | 158.3 | 170.3 | 77.9 | 0 | 0 | 0 | 0 | 109.4 | L25 T72 K73 L77 A78 | L25-T75 HydrophobicContact CD1-CG2 4.19Å; L25-T75 HydrophobicContact CD2-CG2 4.04Å; T72-T75 WeakPolarHBondContact O-CB 3.32Å; T72-T75 PolarHBondContact O-N 3.21Å; T72-T75 PolarHBondContact O-OG1 2.86Å; K73-T75 PolarHBondContact O-N 2.8Å; T75-L77 PolarHBondContact O-N 3.39Å; T75-L77 VanDerWaalsContact O-N 3.11Å; T75-L77 PolarHBondContact OG1-N 3.03Å; T75-A78 PolarHBondContact O-N 3Å; T75-A78 VanDerWaalsContact O-N 3.12Å |
| 76 | D | 94.6 | Very high | 98 | Very high | 112 Ų | 112 | 64.8 Ų | 64.8 | 60% | 0.599 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -63 | -20 | 179 | -58.2 | -18.7 | 0 | 0 | 0 | 112.5 | A78 G79 | D76-A78 PolarHBondContact O-N 3.11Å; D76-G79 PolarHBondContact O-N 3.43Å |
| 77 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -61.3 | -27.7 | 176.3 | -72 | -179.9 | 0 | 0 | 0 | 112.7 | I21 Y24 L25 T72 T75 G79 V146 T147 W148 F151 | I21-L77 HydrophobicContact CG2-CD1 4.48Å; Y24-L77 HydrophobicContact CD1-CD1 3.55Å; Y24-L77 HydrophobicContact CD1-CD2 3.88Å; Y24-L77 HydrophobicContact CD1-CG 3.83Å; Y24-L77 HydrophobicContact CE1-CD1 4.08Å; Y24-L77 HydrophobicContact CE1-CD2 3.7Å; Y24-L77 HydrophobicContact CE1-CG 3.8Å; Y24-L77 HydrophobicContact CE2-CD2 4.48Å; Y24-L77 HydrophobicContact CG-CD1 4.17Å; Y24-L77 HydrophobicContact CG-CD2 4.34Å; L25-L77 HydrophobicContact CD2-CD1 4.17Å; L25-L77 HydrophobicContact CG-CD1 4.23Å; T72-L77 HydrophobicContact CG2-CB 3.81Å; T72-L77 HydrophobicContact CG2-CD1 4.02Å; T75-L77 PolarHBondContact O-N 3.39Å; T75-L77 VanDerWaalsContact O-N 3.11Å; T75-L77 PolarHBondContact OG1-N 3.03Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-V146 HydrophobicContact CD2-CG1 4.29Å; L77-T147 CarbonylContact O-C 3.58Å; L77-T147 WeakPolarHBondContact O-CA 3.46Å; L77-T147 VanDerWaalsContact O-CB 3.23Å; L77-T147 WeakPolarHBondContact O-CB 3.32Å; L77-W148 VanDerWaalsContact O-CD1 3.23Å; L77-W148 PolarHBondContact O-N 2.94Å; L77-F151 HydrophobicContact CD1-CE2 3.91Å; L77-F151 HydrophobicContact CD2-CE2 3.58Å; L77-F151 HydrophobicContact CD2-CZ 3.66Å; L77-F151 HydrophobicContact CG-CE2 4.42Å |
| 78 | A | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -73.7 | -21 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | T72 T75 D76 Q85 | T72-A78 WeakPolarHBondContact O-CB 3.39Å; T75-A78 PolarHBondContact O-N 3Å; T75-A78 VanDerWaalsContact O-N 3.12Å; D76-A78 PolarHBondContact O-N 3.11Å; A78-Q85 HydrophobicContact CB-CG 4.13Å; A78-Q85 WeakPolarHBondContact O-CA 3.36Å; A78-Q85 WeakPolarHBondContact O-CG 3.46Å |
| 79 | G | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | trans | 100.6 | 144.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D76 L77 T81 Q85 | D76-G79 PolarHBondContact O-N 3.43Å; L77-G79 VanDerWaalsContact C-N 3.3Å; G79-T81 PolarHBondContact O-N 3.29Å; G79-Q85 PolarHBondContact O-NE2 3.19Å; G79-Q85 VanDerWaalsContact O-NE2 3.07Å | ||
| 80 | N | 97.7 | Very high | 98 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -83.1 | -15.2 | -166.5 | -54.8 | -67.2 | 0 | 0 | 0 | 113.3 | E84 | N80-E84 WeakPolarHBondContact CA-OE2 3.38Å; N80-E84 VanDerWaalsContact CB-OE2 3.28Å; N80-E84 WeakPolarHBondContact CB-OE2 3.41Å; N80-E84 PolarHBondContact N-OE2 2.97Å; N80-E84 PolarHBondContact ND2-OE2 3.3Å |
| 81 | T | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -131.7 | 160 | 177 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | G79 M83 E84 Q85 | G79-T81 PolarHBondContact O-N 3.29Å; T81-M83 PolarHBondContact O-N 3.46Å; T81-E84 PolarHBondContact O-N 3.5Å; T81-E84 VanDerWaalsContact O-N 3.08Å; T81-E84 WeakPolarHBondContact OG1-CG 3.47Å; T81-E84 PolarHBondContact OG1-N 3.5Å; T81-E84 VanDerWaalsContact OG1-N 3.11Å; T81-Q85 WeakPolarHBondContact O-CG 3.35Å; T81-Q85 PolarHBondContact O-N 3.02Å |
| 82 | E | 98.3 | Very high | 98.1 | Very high | 169 Ų | 169 | 61.3 Ų | 61.3 | 79% | 0.79 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.9 | -34.7 | 175.1 | -64.3 | 175.2 | 179.6 | 0 | 0 | 112.1 | Q85 C86 | E82-Q85 PolarHBondContact O-N 3.45Å; E82-C86 WeakPolarHBondContact O-CB 3.44Å; E82-C86 PolarHBondContact O-N 3.45Å |
| 83 | M | 98.6 | Very high | 98.1 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 61% | 0.611 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.9 | -43.5 | 175.7 | -176.1 | 57.2 | 65.1 | 0 | 0 | 111.7 | T81 Q85 C86 Q87 | T81-M83 PolarHBondContact O-N 3.46Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; M83-C86 WeakPolarHBondContact O-CB 3.44Å; M83-C86 PolarHBondContact O-N 2.97Å; M83-Q87 VanDerWaalsContact O-CG 3.32Å; M83-Q87 WeakPolarHBondContact O-CG 3.36Å; M83-Q87 PolarHBondContact O-N 2.86Å |
| 84 | E | 98.6 | Very high | 98.2 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 173.8 | -74.5 | -177.3 | 167.3 | 0 | 0 | 111.2 | N80 T81 C86 Q87 V88 I142 | N80-E84 WeakPolarHBondContact CA-OE2 3.38Å; N80-E84 VanDerWaalsContact CB-OE2 3.28Å; N80-E84 WeakPolarHBondContact CB-OE2 3.41Å; N80-E84 PolarHBondContact N-OE2 2.97Å; N80-E84 PolarHBondContact ND2-OE2 3.3Å; T81-E84 PolarHBondContact O-N 3.5Å; T81-E84 VanDerWaalsContact O-N 3.08Å; T81-E84 WeakPolarHBondContact OG1-CG 3.47Å; T81-E84 PolarHBondContact OG1-N 3.5Å; T81-E84 VanDerWaalsContact OG1-N 3.11Å; E84-C86 VanDerWaalsContact C-N 3.34Å; E84-C86 PolarHBondContact O-N 3.32Å; E84-Q87 WeakPolarHBondContact O-CB 3.12Å; E84-Q87 PolarHBondContact O-N 3.17Å; E84-Q87 VanDerWaalsContact O-N 3.12Å; E84-V88 VanDerWaalsContact O-CG2 3.32Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.2Å; E84-I142 HydrophobicContact CB-CG2 3.72Å; E84-I142 HydrophobicContact CG-CG2 3.8Å |
| 85 | Q | 98.8 | Very high | 98.4 | Very high | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.5 | -71.6 | 164.7 | 24.9 | 0 | 0 | 111.9 | A78 G79 T81 E82 M83 Q87 V88 D89 | A78-Q85 HydrophobicContact CB-CG 4.13Å; A78-Q85 WeakPolarHBondContact O-CA 3.36Å; A78-Q85 WeakPolarHBondContact O-CG 3.46Å; G79-Q85 PolarHBondContact O-NE2 3.19Å; G79-Q85 VanDerWaalsContact O-NE2 3.07Å; T81-Q85 WeakPolarHBondContact O-CG 3.35Å; T81-Q85 PolarHBondContact O-N 3.02Å; E82-Q85 PolarHBondContact O-N 3.45Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.07Å; Q85-V88 PolarHBondContact O-N 3.4Å; Q85-D89 WeakPolarHBondContact O-CB 3.37Å; Q85-D89 PolarHBondContact O-N 2.84Å |
| 86 | C | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | E82 M83 E84 D89 A90 | E82-C86 WeakPolarHBondContact O-CB 3.44Å; E82-C86 PolarHBondContact O-N 3.45Å; M83-C86 WeakPolarHBondContact O-CB 3.44Å; M83-C86 PolarHBondContact O-N 2.97Å; E84-C86 VanDerWaalsContact C-N 3.34Å; E84-C86 PolarHBondContact O-N 3.32Å; C86-D89 PolarHBondContact O-N 2.64Å; C86-A90 WeakPolarHBondContact O-CB 3.06Å; C86-A90 PolarHBondContact O-N 3.49Å |
| 87 | Q | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 176.3 | -69.5 | 168.8 | -16.5 | 0 | 0 | 112.2 | M83 E84 Q85 A90 I91 I142 | M83-Q87 VanDerWaalsContact O-CG 3.32Å; M83-Q87 WeakPolarHBondContact O-CG 3.36Å; M83-Q87 PolarHBondContact O-N 2.86Å; E84-Q87 WeakPolarHBondContact O-CB 3.12Å; E84-Q87 PolarHBondContact O-N 3.17Å; E84-Q87 VanDerWaalsContact O-N 3.12Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.07Å; Q87-A90 PolarHBondContact O-N 2.86Å; Q87-I91 WeakPolarHBondContact O-CG1 3.4Å; Q87-I91 PolarHBondContact O-N 3.23Å; Q87-I91 VanDerWaalsContact O-N 3.08Å; Q87-I142 HydrophobicContact CB-CG1 3.75Å; Q87-I142 HydrophobicContact CB-CG2 4.43Å |
| 88 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | E84 Q85 A90 I91 V92 I142 T147 W148 A149 | E84-V88 VanDerWaalsContact O-CG2 3.32Å; E84-V88 WeakPolarHBondContact O-CG2 3.33Å; E84-V88 PolarHBondContact O-N 3.2Å; Q85-V88 PolarHBondContact O-N 3.4Å; V88-A90 PolarHBondContact O-N 2.88Å; V88-I91 PolarHBondContact O-N 2.85Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.72Å; V88-I142 HydrophobicContact CG2-CB 3.88Å; V88-I142 HydrophobicContact CG2-CD1 4.01Å; V88-I142 HydrophobicContact CG2-CG1 3.78Å; V88-I142 HydrophobicContact CG2-CG2 4.05Å; V88-T147 HydrophobicContact CG2-CG2 3.74Å; V88-W148 VanDerWaalsContact CG1-CD1 3.49Å; V88-W148 HydrophobicContact CG1-CD2 4.23Å; V88-W148 HydrophobicContact CG1-CG 4.11Å; V88-W148 HydrophobicContact CG1-CZ2 4.34Å; V88-A149 HydrophobicContact CG1-CB 3.92Å |
| 89 | D | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.214 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 176.7 | -80.2 | -23.5 | 0 | 0 | 0 | 111.8 | R69 Q85 C86 I91 V92 D93 W148 | R69-D89 IonicContact CZ-OD1 3.72Å; R69-D89 IonicContact CZ-OD2 3.21Å; R69-D89 VanDerWaalsContact NE-CG 3.29Å; R69-D89 IonicContact NE-OD1 3.78Å; R69-D89 PolarHBondContact NE-OD1 2.99Å; R69-D89 IonicContact NE-OD2 2.77Å; R69-D89 PolarHBondContact NE-OD2 3.35Å; R69-D89 VanDerWaalsContact NE-OD2 3.09Å; R69-D89 VanDerWaalsContact NH2-CG 3.35Å; R69-D89 IonicContact NH2-OD1 3.09Å; R69-D89 PolarHBondContact NH2-OD1 2.65Å; R69-D89 IonicContact NH2-OD2 3.29Å; Q85-D89 WeakPolarHBondContact O-CB 3.37Å; Q85-D89 PolarHBondContact O-N 2.84Å; C86-D89 PolarHBondContact O-N 2.64Å; D89-I91 VanDerWaalsContact C-N 3.35Å; D89-I91 PolarHBondContact O-N 3.19Å; D89-V92 PolarHBondContact O-N 3.13Å; D89-D93 PolarHBondContact O-N 3.45Å; D89-W148 VanDerWaalsContact OD1-CZ2 3.3Å; D89-W148 WeakPolarHBondContact OD1-CZ2 3.37Å |
| 90 | A | 98.9 | Very high | 98.7 | Very high | 51 Ų | 51 | 57 Ų | 57 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C86 Q87 V88 T94 | C86-A90 WeakPolarHBondContact O-CB 3.06Å; C86-A90 PolarHBondContact O-N 3.49Å; Q87-A90 PolarHBondContact O-N 2.86Å; V88-A90 PolarHBondContact O-N 2.88Å; A90-T94 VanDerWaalsContact O-CB 3.31Å; A90-T94 WeakPolarHBondContact O-CB 3.32Å; A90-T94 PolarHBondContact O-N 2.9Å; A90-T94 PolarHBondContact O-OG1 3.41Å |
| 91 | I | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 176.6 | -68 | -66.2 | 0 | 0 | 0 | 111 | Q87 V88 D89 T94 L95 L131 Y134 L141 I142 A149 | Q87-I91 WeakPolarHBondContact O-CG1 3.4Å; Q87-I91 PolarHBondContact O-N 3.23Å; Q87-I91 VanDerWaalsContact O-N 3.08Å; V88-I91 PolarHBondContact O-N 2.85Å; D89-I91 VanDerWaalsContact C-N 3.35Å; D89-I91 PolarHBondContact O-N 3.19Å; I91-T94 PolarHBondContact O-N 3.07Å; I91-L95 HydrophobicContact CG2-CD1 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.22Å; I91-L131 HydrophobicContact CD1-CD2 4.41Å; I91-L131 HydrophobicContact CG2-CD2 4.48Å; I91-Y134 HydrophobicContact CD1-CD1 3.73Å; I91-Y134 HydrophobicContact CD1-CD2 4.36Å; I91-Y134 HydrophobicContact CD1-CE1 3.64Å; I91-Y134 HydrophobicContact CD1-CE2 4.28Å; I91-Y134 HydrophobicContact CD1-CG 4.1Å; I91-Y134 HydrophobicContact CG1-CD1 4.41Å; I91-Y134 HydrophobicContact CG1-CE1 3.87Å; I91-L141 HydrophobicContact CG2-CD1 4.07Å; I91-I142 HydrophobicContact CB-CD1 4.41Å; I91-I142 HydrophobicContact CG1-CD1 3.99Å; I91-A149 HydrophobicContact CB-CB 4.27Å; I91-A149 HydrophobicContact CG2-CB 4.04Å |
| 92 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L65 V88 D89 T94 L95 D96 W148 A149 Y152 | L65-V92 HydrophobicContact CD1-CG1 3.79Å; L65-V92 HydrophobicContact CD2-CG1 3.73Å; L65-V92 HydrophobicContact CG-CG1 4.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.72Å; D89-V92 PolarHBondContact O-N 3.13Å; V92-T94 VanDerWaalsContact C-N 3.32Å; V92-T94 PolarHBondContact O-N 3.4Å; V92-L95 WeakPolarHBondContact O-CB 3.17Å; V92-L95 PolarHBondContact O-N 3.22Å; V92-L95 VanDerWaalsContact O-N 3.15Å; V92-D96 PolarHBondContact O-N 2.95Å; V92-W148 HydrophobicContact CB-CH2 3.87Å; V92-W148 HydrophobicContact CB-CZ2 4.5Å; V92-W148 HydrophobicContact CB-CZ3 3.94Å; V92-W148 HydrophobicContact CG1-CE3 4.32Å; V92-W148 HydrophobicContact CG1-CH2 3.55Å; V92-W148 HydrophobicContact CG1-CZ3 3.39Å; V92-W148 HydrophobicContact CG2-CD2 4.09Å; V92-W148 HydrophobicContact CG2-CE3 3.69Å; V92-W148 HydrophobicContact CG2-CH2 3.69Å; V92-W148 HydrophobicContact CG2-CZ2 4.06Å; V92-W148 HydrophobicContact CG2-CZ3 3.51Å; V92-A149 HydrophobicContact CG2-CB 3.96Å; V92-Y152 HydrophobicContact CB-CD1 4.36Å; V92-Y152 HydrophobicContact CG1-CD1 3.73Å; V92-Y152 HydrophobicContact CG1-CE1 4Å; V92-Y152 HydrophobicContact CG1-CG 4.19Å |
| 93 | D | 98.9 | Very high | 98.7 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | -178.8 | -74.9 | -4.5 | 0 | 0 | 0 | 110.9 | D89 L95 D96 D97 | D89-D93 PolarHBondContact O-N 3.45Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.2Å; D93-D96 PolarHBondContact O-N 3.48Å; D93-D96 VanDerWaalsContact O-N 3.16Å; D93-D97 WeakPolarHBondContact O-CB 3.45Å; D93-D97 PolarHBondContact O-N 3.3Å |
| 94 | T | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -41.8 | 173 | -63.1 | 0 | 0 | 0 | 0 | 112 | A90 I91 V92 F98 L127 | A90-T94 VanDerWaalsContact O-CB 3.31Å; A90-T94 WeakPolarHBondContact O-CB 3.32Å; A90-T94 PolarHBondContact O-N 2.9Å; A90-T94 PolarHBondContact O-OG1 3.41Å; I91-T94 PolarHBondContact O-N 3.07Å; V92-T94 VanDerWaalsContact C-N 3.32Å; V92-T94 PolarHBondContact O-N 3.4Å; T94-F98 PolarHBondContact O-N 2.93Å; T94-L127 HydrophobicContact CG2-CD1 3.77Å |
| 95 | L | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 175.5 | -69.4 | 168.9 | 0 | 0 | 0 | 111.6 | I91 V92 D93 F98 M99 L131 Y152 W153 | I91-L95 HydrophobicContact CG2-CD1 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.22Å; V92-L95 WeakPolarHBondContact O-CB 3.17Å; V92-L95 PolarHBondContact O-N 3.22Å; V92-L95 VanDerWaalsContact O-N 3.15Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.2Å; L95-F98 PolarHBondContact O-N 3.49Å; L95-M99 WeakPolarHBondContact O-CB 3.27Å; L95-M99 VanDerWaalsContact O-CG 3.27Å; L95-M99 WeakPolarHBondContact O-CG 3.5Å; L95-M99 PolarHBondContact O-N 3.43Å; L95-L131 HydrophobicContact CD2-CD1 3.67Å; L95-L131 HydrophobicContact CD2-CD2 4.49Å; L95-Y152 HydrophobicContact CB-CD1 3.9Å; L95-Y152 HydrophobicContact CB-CE1 4.19Å; L95-Y152 HydrophobicContact CD1-CD1 4.15Å; L95-W153 HydrophobicContact CD1-CB 4.14Å; L95-W153 HydrophobicContact CD2-CE3 3.94Å; L95-W153 HydrophobicContact CD2-CZ3 4.4Å |
| 96 | D | 98.9 | Very high | 98.5 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -38 | -178.7 | -160 | 66.1 | 0 | 0 | 0 | 112.6 | R14 L65 V92 D93 F98 M99 S100 Y152 | R14-D96 IonicContact CZ-OD1 3.1Å; R14-D96 IonicContact NH1-OD1 3.71Å; R14-D96 PolarHBondContact NH1-OD1 3.08Å; R14-D96 IonicContact NH1-OD2 3.89Å; R14-D96 PolarHBondContact NH1-OD2 2.81Å; R14-D96 VanDerWaalsContact NH1-OD2 3.1Å; L65-D96 HydrophobicContact CD1-CB 3.82Å; V92-D96 PolarHBondContact O-N 2.95Å; D93-D96 PolarHBondContact O-N 3.48Å; D93-D96 VanDerWaalsContact O-N 3.16Å; D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 PolarHBondContact O-N 3.35Å; D96-M99 PolarHBondContact O-N 3.33Å; D96-S100 WeakPolarHBondContact O-CB 3.37Å; D96-S100 PolarHBondContact O-N 2.63Å; D96-S100 PolarHBondContact O-OG 3.28Å; D96-Y152 HydrophobicContact CB-CE1 4.03Å; D96-Y152 PolarHBondContact OD1-OH 3.47Å |
| 97 | D | 98.9 | Very high | 98.3 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 60% | 0.599 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.5 | -49.7 | 174 | -82.4 | -11.8 | 0 | 0 | 0 | 110.1 | D93 S100 C101 | D93-D97 WeakPolarHBondContact O-CB 3.45Å; D93-D97 PolarHBondContact O-N 3.3Å; D97-S100 PolarHBondContact O-N 3.31Å; D97-C101 PolarHBondContact O-N 2.94Å; D97-C101 PolarHBondContact O-SG 3.36Å; D97-C101 VanDerWaalsContact O-SG 3.33Å |
| 98 | F | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 55 Ų | 55 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 178.3 | -175 | -107.6 | 0 | 0 | 0 | 112.5 | T94 L95 D96 S100 C101 F102 N123 A124 L127 L160 | T94-F98 PolarHBondContact O-N 2.93Å; L95-F98 PolarHBondContact O-N 3.49Å; D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 PolarHBondContact O-N 3.35Å; F98-S100 PolarHBondContact O-N 3.14Å; F98-C101 WeakPolarHBondContact O-CB 3.36Å; F98-C101 PolarHBondContact O-N 3.46Å; F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 AromaticContact CE1-CE2 3.65Å; F98-F102 HydrophobicContact CE1-CE2 3.65Å; F98-F102 HydrophobicContact CE1-CZ 4.04Å; F98-F102 AromaticContact CZ-CE2 3.95Å; F98-F102 HydrophobicContact CZ-CE2 3.95Å; F98-F102 HydrophobicContact CZ-CZ 4.13Å; F98-F102 WeakPolarHBondContact O-CD2 3.44Å; F98-N123 HydrophobicContact CE2-CB 3.94Å; F98-A124 HydrophobicContact CE1-CB 4.14Å; F98-A124 HydrophobicContact CZ-CB 3.62Å; F98-L127 HydrophobicContact CB-CD2 3.52Å; F98-L127 HydrophobicContact CD1-CD2 3.44Å; F98-L127 VanDerWaalsContact CD1-CD2 3.44Å; F98-L127 HydrophobicContact CD2-CD2 3.96Å; F98-L127 HydrophobicContact CE1-CD2 4.15Å; F98-L127 HydrophobicContact CG-CD2 3.34Å; F98-L160 HydrophobicContact CE1-CD1 4.25Å; F98-L160 HydrophobicContact CE1-CD2 4.06Å |
| 99 | M | 98.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -29.6 | 176.7 | -68.7 | -57.3 | -68.5 | 0 | 0 | 111.9 | L95 D96 C101 W104 C156 T159 L160 | L95-M99 WeakPolarHBondContact O-CB 3.27Å; L95-M99 VanDerWaalsContact O-CG 3.27Å; L95-M99 WeakPolarHBondContact O-CG 3.5Å; L95-M99 PolarHBondContact O-N 3.43Å; D96-M99 PolarHBondContact O-N 3.33Å; M99-C101 VanDerWaalsContact C-N 3.35Å; M99-W104 HydrophobicContact CE-CH2 4.07Å; M99-W104 HydrophobicContact CE-CZ2 3.79Å; M99-W104 PolarHBondContact O-NE1 3.44Å; M99-C156 HydrophobicContact CG-CB 3.99Å; M99-C156 HydrophobicContact SD-CB 3.99Å; M99-T159 HydrophobicContact CE-CG2 4.17Å; M99-L160 HydrophobicContact CE-CD2 4.4Å; M99-L160 HydrophobicContact CE-CG 4.48Å; M99-L160 HydrophobicContact SD-CD1 4.1Å; M99-L160 HydrophobicContact SD-CD2 3.73Å; M99-L160 HydrophobicContact SD-CG 3.83Å |
| 100 | S | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -78.3 | -16.5 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | R14 D96 D97 F98 F102 | R14-S100 PolarHBondContact NH2-OG 2.91Å; D96-S100 WeakPolarHBondContact O-CB 3.37Å; D96-S100 PolarHBondContact O-N 2.63Å; D96-S100 PolarHBondContact O-OG 3.28Å; D97-S100 PolarHBondContact O-N 3.31Å; F98-S100 PolarHBondContact O-N 3.14Å; S100-F102 PolarHBondContact O-N 3.42Å |
| 101 | C | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.4 | 172.6 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | D97 F98 M99 L119 | D97-C101 PolarHBondContact O-N 2.94Å; D97-C101 PolarHBondContact O-SG 3.36Å; D97-C101 VanDerWaalsContact O-SG 3.33Å; F98-C101 WeakPolarHBondContact O-CB 3.36Å; F98-C101 PolarHBondContact O-N 3.46Å; M99-C101 VanDerWaalsContact C-N 3.35Å; C101-L119 HydrophobicContact CB-CD1 4.15Å; C101-L119 HydrophobicContact CB-CD2 3.96Å |
| 102 | F | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -71.7 | 134.6 | -177.7 | -73.7 | -94.1 | 0 | 0 | 0 | 111.8 | F98 S100 W104 F116 L119 L120 L160 | F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 AromaticContact CE1-CE2 3.65Å; F98-F102 HydrophobicContact CE1-CE2 3.65Å; F98-F102 HydrophobicContact CE1-CZ 4.04Å; F98-F102 AromaticContact CZ-CE2 3.95Å; F98-F102 HydrophobicContact CZ-CE2 3.95Å; F98-F102 HydrophobicContact CZ-CZ 4.13Å; F98-F102 WeakPolarHBondContact O-CD2 3.44Å; S100-F102 PolarHBondContact O-N 3.42Å; F102-W104 HydrophobicContact CB-CD2 3.98Å; F102-W104 HydrophobicContact CB-CG 4.46Å; F102-W104 HydrophobicContact CB-CH2 3.98Å; F102-W104 HydrophobicContact CB-CZ2 3.35Å; F102-W104 HydrophobicContact CD1-CH2 4.38Å; F102-W104 HydrophobicContact CD1-CZ2 4.41Å; F102-W104 HydrophobicContact CD2-CH2 4.48Å; F102-W104 AromaticContact CD2-CZ2 3.88Å; F102-W104 HydrophobicContact CD2-CZ2 3.88Å; F102-W104 HydrophobicContact CG-CH2 4.04Å; F102-W104 AromaticContact CG-CZ2 3.64Å; F102-W104 HydrophobicContact CG-CZ2 3.64Å; F102-W104 PolarHBondContact O-N 3.25Å; F102-W104 PolarHBondContact O-NE1 2.91Å; F102-F116 HydrophobicContact CB-CE2 4.05Å; F102-F116 HydrophobicContact CB-CZ 3.95Å; F102-F116 HydrophobicContact CD1-CB 4.49Å; F102-F116 AromaticContact CD1-CD1 3.56Å; F102-F116 HydrophobicContact CD1-CD1 3.56Å; F102-F116 AromaticContact CD1-CD2 3.91Å; F102-F116 HydrophobicContact CD1-CD2 3.91Å; F102-F116 AromaticContact CD1-CE1 3.59Å; F102-F116 HydrophobicContact CD1-CE1 3.59Å; F102-F116 AromaticContact CD1-CE2 3.95Å; F102-F116 HydrophobicContact CD1-CE2 3.95Å; F102-F116 AromaticContact CD1-CG 3.73Å; F102-F116 HydrophobicContact CD1-CG 3.73Å; F102-F116 AromaticContact CD1-CZ 3.79Å; F102-F116 HydrophobicContact CD1-CZ 3.79Å; F102-F116 AromaticContact CE1-CD1 3.9Å; F102-F116 HydrophobicContact CE1-CD1 3.9Å; F102-F116 HydrophobicContact CE1-CE1 4.24Å; F102-F116 HydrophobicContact CE1-CG 4.17Å; F102-F116 HydrophobicContact CG-CE1 4.4Å; F102-F116 HydrophobicContact CG-CZ 4.3Å; F102-L119 HydrophobicContact CB-CD1 4.37Å; F102-L119 HydrophobicContact CD1-CD1 3.78Å; F102-L119 HydrophobicContact CD2-CD1 4.13Å; F102-L119 HydrophobicContact CE1-CB 3.97Å; F102-L119 HydrophobicContact CE1-CD1 4.04Å; F102-L119 HydrophobicContact CE2-CD1 4.36Å; F102-L119 HydrophobicContact CG-CD1 3.84Å; F102-L119 HydrophobicContact CZ-CB 3.97Å; F102-L119 HydrophobicContact CZ-CD1 4.32Å; F102-L120 HydrophobicContact CE1-CD1 4.13Å; F102-L120 HydrophobicContact CE1-CD2 4.17Å; F102-L120 HydrophobicContact CE1-CG 3.87Å; F102-L120 HydrophobicContact CZ-CD2 3.86Å; F102-L120 HydrophobicContact CZ-CG 3.98Å; F102-L160 HydrophobicContact CE2-CD2 3.78Å; F102-L160 HydrophobicContact CZ-CD2 3.63Å |
| 103 | P | 97.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 69.4 Ų | 69.4 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | trans | -79.3 | 65.7 | -179.4 | 33.3 | -38.1 | 0 | 0 | 0 | 112 | A105 E106 K112 M115 F116 | P103-A105 PolarHBondContact O-N 3.49Å; P103-A105 VanDerWaalsContact O-N 3.09Å; P103-E106 HydrophobicContact CB-CB 3.89Å; P103-E106 WeakPolarHBondContact O-CB 3.14Å; P103-E106 PolarHBondContact O-N 2.9Å; P103-E106 VanDerWaalsContact O-N 3.1Å; P103-K112 HydrophobicContact CG-CG 4.46Å; P103-M115 HydrophobicContact CB-CE 4.33Å; P103-M115 HydrophobicContact CB-SD 4.22Å; P103-M115 HydrophobicContact CG-CB 3.77Å; P103-M115 HydrophobicContact CG-CE 4.12Å; P103-M115 HydrophobicContact CG-CG 4.44Å; P103-M115 HydrophobicContact CG-SD 3.88Å; P103-F116 HydrophobicContact CG-CD2 3.91Å; P103-F116 HydrophobicContact CG-CE2 3.81Å | ||
| 104 | W | 97.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.5 | -173.4 | -59.2 | 107.5 | 0 | 0 | 0 | 114 | M99 F102 K112 F116 T159 F163 L199 | M99-W104 HydrophobicContact CE-CH2 4.07Å; M99-W104 HydrophobicContact CE-CZ2 3.79Å; M99-W104 PolarHBondContact O-NE1 3.44Å; F102-W104 HydrophobicContact CB-CD2 3.98Å; F102-W104 HydrophobicContact CB-CG 4.46Å; F102-W104 HydrophobicContact CB-CH2 3.98Å; F102-W104 HydrophobicContact CB-CZ2 3.35Å; F102-W104 HydrophobicContact CD1-CH2 4.38Å; F102-W104 HydrophobicContact CD1-CZ2 4.41Å; F102-W104 HydrophobicContact CD2-CH2 4.48Å; F102-W104 AromaticContact CD2-CZ2 3.88Å; F102-W104 HydrophobicContact CD2-CZ2 3.88Å; F102-W104 HydrophobicContact CG-CH2 4.04Å; F102-W104 AromaticContact CG-CZ2 3.64Å; F102-W104 HydrophobicContact CG-CZ2 3.64Å; F102-W104 PolarHBondContact O-N 3.25Å; F102-W104 PolarHBondContact O-NE1 2.91Å; W104-K112 PolarHBondContact O-NZ 2.96Å; W104-F116 HydrophobicContact CD2-CZ 4.22Å; W104-F116 HydrophobicContact CE3-CE1 4.15Å; W104-F116 AromaticContact CE3-CZ 3.58Å; W104-F116 HydrophobicContact CE3-CZ 3.58Å; W104-F116 AromaticContact CH2-CE1 3.97Å; W104-F116 HydrophobicContact CH2-CE1 3.97Å; W104-F116 HydrophobicContact CH2-CZ 4.07Å; W104-F116 AromaticContact CZ3-CE1 3.56Å; W104-F116 HydrophobicContact CZ3-CE1 3.56Å; W104-F116 AromaticContact CZ3-CZ 3.49Å; W104-F116 HydrophobicContact CZ3-CZ 3.49Å; W104-F116 VanDerWaalsContact CZ3-CZ 3.49Å; W104-T159 HydrophobicContact CH2-CG2 4.09Å; W104-T159 HydrophobicContact CZ3-CG2 4.39Å; W104-F163 HydrophobicContact CH2-CE2 4.36Å; W104-F163 AromaticContact CZ3-CE2 3.9Å; W104-F163 HydrophobicContact CZ3-CE2 3.9Å; W104-F163 HydrophobicContact CZ3-CZ 4.18Å; W104-L199 HydrophobicContact CZ3-CD2 4.49Å |
| 105 | A | 95.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 71.8 Ų | 71.8 | 74% | 0.744 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P103 K107 | P103-A105 PolarHBondContact O-N 3.49Å; P103-A105 VanDerWaalsContact O-N 3.09Å; A105-K107 PolarHBondContact O-N 2.87Å |
| 106 | E | 97.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 71.9 Ų | 71.9 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | trans | -62.2 | 136.3 | 173.8 | 176.7 | 54.9 | -108.3 | 0 | 0 | 110.4 | P103 K108 V111 K112 | P103-E106 HydrophobicContact CB-CB 3.89Å; P103-E106 WeakPolarHBondContact O-CB 3.14Å; P103-E106 PolarHBondContact O-N 2.9Å; P103-E106 VanDerWaalsContact O-N 3.1Å; E106-K108 HydrophobicContact CG-CB 4.46Å; E106-K108 WeakPolarHBondContact OE1-CB 3.14Å; E106-K108 PolarHBondContact OE1-N 2.95Å; E106-V111 HydrophobicContact CG-CB 4.34Å; E106-V111 HydrophobicContact CG-CG1 4.33Å; E106-K112 HydrophobicContact CB-CB 4.11Å; E106-K112 HydrophobicContact CB-CD 4.49Å; E106-K112 HydrophobicContact CB-CG 4.36Å; E106-K112 HydrophobicContact CG-CB 3.97Å | ||
| 107 | K | 95.9 | Very high | 97.7 | Very high | 195 Ų | 195 | 75.2 Ų | 75.2 | 85% | 0.848 | 39% | 0.386 | S | S | * | . | trans | -95.9 | -27.5 | -174.6 | -61.9 | -178.5 | -178.6 | 179.5 | 0 | 112.2 | A105 Q109 | A105-K107 PolarHBondContact O-N 2.87Å; K107-Q109 PolarHBondContact O-N 2.86Å | ||
| 108 | K | 97.5 | Very high | 97.7 | Very high | 137 Ų | 137 | 73.7 Ų | 73.7 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | trans | -81.4 | 107.1 | 175 | -68.5 | -176.5 | 177.4 | 179.2 | 0 | 109.4 | E106 D110 V111 K112 | E106-K108 HydrophobicContact CG-CB 4.46Å; E106-K108 WeakPolarHBondContact OE1-CB 3.14Å; E106-K108 PolarHBondContact OE1-N 2.95Å; K108-D110 VanDerWaalsContact C-N 3.33Å; K108-D110 PolarHBondContact O-N 3.43Å; K108-V111 HydrophobicContact CB-CB 4.02Å; K108-V111 HydrophobicContact CB-CG2 3.86Å; K108-V111 HydrophobicContact CD-CG2 4.09Å; K108-V111 PolarHBondContact O-N 2.79Å; K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 PolarHBondContact O-N 3.13Å | ||
| 109 | Q | 96.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | -170.9 | -173.4 | 61.4 | 19 | 0 | 0 | 112.9 | K107 K112 E113 | K107-Q109 PolarHBondContact O-N 2.86Å; Q109-K112 PolarHBondContact O-N 3.39Å; Q109-E113 HydrophobicContact CG-CG 4.42Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.39Å; Q109-E113 PolarHBondContact NE2-OE1 3.29Å; Q109-E113 WeakPolarHBondContact O-CB 3.42Å; Q109-E113 WeakPolarHBondContact O-CG 3.36Å; Q109-E113 PolarHBondContact O-N 2.85Å |
| 110 | D | 97.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 73 Ų | 73 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 175.2 | 58.9 | -37.1 | 0 | 0 | 0 | 112.1 | K108 K112 E113 Q114 | K108-D110 VanDerWaalsContact C-N 3.33Å; K108-D110 PolarHBondContact O-N 3.43Å; D110-K112 VanDerWaalsContact C-N 3.34Å; D110-K112 PolarHBondContact O-N 3.26Å; D110-E113 PolarHBondContact O-N 2.93Å; D110-Q114 WeakPolarHBondContact O-CB 3.43Å; D110-Q114 PolarHBondContact O-N 2.71Å |
| 111 | V | 97.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 73.7 Ų | 73.7 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | E106 K108 Q114 M115 | E106-V111 HydrophobicContact CG-CB 4.34Å; E106-V111 HydrophobicContact CG-CG1 4.33Å; K108-V111 HydrophobicContact CB-CB 4.02Å; K108-V111 HydrophobicContact CB-CG2 3.86Å; K108-V111 HydrophobicContact CD-CG2 4.09Å; K108-V111 PolarHBondContact O-N 2.79Å; V111-Q114 PolarHBondContact O-N 3.26Å; V111-M115 HydrophobicContact CG1-CG 4.49Å; V111-M115 HydrophobicContact CG1-SD 4.04Å; V111-M115 WeakPolarHBondContact O-CG 3.46Å; V111-M115 PolarHBondContact O-N 3.3Å |
| 112 | K | 97.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 19% | 0.191 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 179.1 | -173.7 | 175.3 | -171.9 | 166.1 | 0 | 111.8 | P103 W104 E106 K108 Q109 D110 M115 F116 | P103-K112 HydrophobicContact CG-CG 4.46Å; W104-K112 PolarHBondContact O-NZ 2.96Å; E106-K112 HydrophobicContact CB-CB 4.11Å; E106-K112 HydrophobicContact CB-CD 4.49Å; E106-K112 HydrophobicContact CB-CG 4.36Å; E106-K112 HydrophobicContact CG-CB 3.97Å; K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 PolarHBondContact O-N 3.13Å; Q109-K112 PolarHBondContact O-N 3.39Å; D110-K112 VanDerWaalsContact C-N 3.34Å; D110-K112 PolarHBondContact O-N 3.26Å; K112-M115 PolarHBondContact O-N 3.34Å; K112-F116 HydrophobicContact CG-CD2 3.97Å; K112-F116 HydrophobicContact CG-CE2 3.84Å; K112-F116 WeakPolarHBondContact O-CB 3.48Å; K112-F116 WeakPolarHBondContact O-CD2 3.46Å; K112-F116 PolarHBondContact O-N 3.24Å |
| 113 | E | 97.3 | Very high | 97.5 | Very high | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 179.7 | -76.1 | 176.5 | -171.6 | 0 | 0 | 111.7 | Q109 D110 F116 N117 | Q109-E113 HydrophobicContact CG-CG 4.42Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.39Å; Q109-E113 PolarHBondContact NE2-OE1 3.29Å; Q109-E113 WeakPolarHBondContact O-CB 3.42Å; Q109-E113 WeakPolarHBondContact O-CG 3.36Å; Q109-E113 PolarHBondContact O-N 2.85Å; D110-E113 PolarHBondContact O-N 2.93Å; E113-F116 PolarHBondContact O-N 3.45Å; E113-N117 WeakPolarHBondContact O-CB 3.28Å; E113-N117 PolarHBondContact O-N 2.86Å; E113-N117 PolarHBondContact O-ND2 3.13Å |
| 114 | Q | 98 | Very high | 97.6 | Very high | 113 Ų | 113 | 80.2 Ų | 80.2 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.9 | -52 | 176.1 | -178.4 | -179.7 | -11.8 | 0 | 0 | 111.4 | D110 V111 F116 N117 E118 | D110-Q114 WeakPolarHBondContact O-CB 3.43Å; D110-Q114 PolarHBondContact O-N 2.71Å; V111-Q114 PolarHBondContact O-N 3.26Å; Q114-F116 PolarHBondContact O-N 3.34Å; Q114-N117 PolarHBondContact O-N 2.82Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.44Å; Q114-E118 PolarHBondContact NE2-OE1 3.43Å; Q114-E118 WeakPolarHBondContact O-CG 3.1Å; Q114-E118 PolarHBondContact O-N 3.41Å |
| 115 | M | 98.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 78.9 Ų | 78.9 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | -179.5 | -70.7 | -178 | 72.8 | 0 | 0 | 112.6 | P103 V111 K112 E118 L119 | P103-M115 HydrophobicContact CB-CE 4.33Å; P103-M115 HydrophobicContact CB-SD 4.22Å; P103-M115 HydrophobicContact CG-CB 3.77Å; P103-M115 HydrophobicContact CG-CE 4.12Å; P103-M115 HydrophobicContact CG-CG 4.44Å; P103-M115 HydrophobicContact CG-SD 3.88Å; V111-M115 HydrophobicContact CG1-CG 4.49Å; V111-M115 HydrophobicContact CG1-SD 4.04Å; V111-M115 WeakPolarHBondContact O-CG 3.46Å; V111-M115 PolarHBondContact O-N 3.3Å; K112-M115 PolarHBondContact O-N 3.34Å; M115-E118 PolarHBondContact O-N 2.74Å; M115-L119 WeakPolarHBondContact O-CB 3.26Å; M115-L119 WeakPolarHBondContact O-CG 3.39Å; M115-L119 PolarHBondContact O-N 2.81Å |
| 116 | F | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 80.8 Ų | 80.8 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.8 | -91.2 | -119 | 0 | 0 | 0 | 110.9 | F102 P103 W104 K112 E113 Q114 L119 L120 F163 | F102-F116 HydrophobicContact CB-CE2 4.05Å; F102-F116 HydrophobicContact CB-CZ 3.95Å; F102-F116 HydrophobicContact CD1-CB 4.49Å; F102-F116 AromaticContact CD1-CD1 3.56Å; F102-F116 HydrophobicContact CD1-CD1 3.56Å; F102-F116 AromaticContact CD1-CD2 3.91Å; F102-F116 HydrophobicContact CD1-CD2 3.91Å; F102-F116 AromaticContact CD1-CE1 3.59Å; F102-F116 HydrophobicContact CD1-CE1 3.59Å; F102-F116 AromaticContact CD1-CE2 3.95Å; F102-F116 HydrophobicContact CD1-CE2 3.95Å; F102-F116 AromaticContact CD1-CG 3.73Å; F102-F116 HydrophobicContact CD1-CG 3.73Å; F102-F116 AromaticContact CD1-CZ 3.79Å; F102-F116 HydrophobicContact CD1-CZ 3.79Å; F102-F116 AromaticContact CE1-CD1 3.9Å; F102-F116 HydrophobicContact CE1-CD1 3.9Å; F102-F116 HydrophobicContact CE1-CE1 4.24Å; F102-F116 HydrophobicContact CE1-CG 4.17Å; F102-F116 HydrophobicContact CG-CE1 4.4Å; F102-F116 HydrophobicContact CG-CZ 4.3Å; P103-F116 HydrophobicContact CG-CD2 3.91Å; P103-F116 HydrophobicContact CG-CE2 3.81Å; W104-F116 HydrophobicContact CD2-CZ 4.22Å; W104-F116 HydrophobicContact CE3-CE1 4.15Å; W104-F116 AromaticContact CE3-CZ 3.58Å; W104-F116 HydrophobicContact CE3-CZ 3.58Å; W104-F116 AromaticContact CH2-CE1 3.97Å; W104-F116 HydrophobicContact CH2-CE1 3.97Å; W104-F116 HydrophobicContact CH2-CZ 4.07Å; W104-F116 AromaticContact CZ3-CE1 3.56Å; W104-F116 HydrophobicContact CZ3-CE1 3.56Å; W104-F116 AromaticContact CZ3-CZ 3.49Å; W104-F116 HydrophobicContact CZ3-CZ 3.49Å; W104-F116 VanDerWaalsContact CZ3-CZ 3.49Å; K112-F116 HydrophobicContact CG-CD2 3.97Å; K112-F116 HydrophobicContact CG-CE2 3.84Å; K112-F116 WeakPolarHBondContact O-CB 3.48Å; K112-F116 WeakPolarHBondContact O-CD2 3.46Å; K112-F116 PolarHBondContact O-N 3.24Å; E113-F116 PolarHBondContact O-N 3.45Å; Q114-F116 PolarHBondContact O-N 3.34Å; F116-L119 PolarHBondContact O-N 2.81Å; F116-L120 WeakPolarHBondContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.5Å; F116-L120 VanDerWaalsContact O-CG 3.23Å; F116-L120 WeakPolarHBondContact O-CG 3.49Å; F116-L120 PolarHBondContact O-N 3.3Å; F116-F163 AromaticContact CD1-CD1 3.74Å; F116-F163 HydrophobicContact CD1-CD1 3.74Å; F116-F163 HydrophobicContact CD1-CD2 4.31Å; F116-F163 AromaticContact CD1-CE1 3.92Å; F116-F163 HydrophobicContact CD1-CE1 3.92Å; F116-F163 HydrophobicContact CD1-CE2 4.49Å; F116-F163 AromaticContact CD1-CG 3.94Å; F116-F163 HydrophobicContact CD1-CG 3.94Å; F116-F163 HydrophobicContact CD1-CZ 4.29Å; F116-F163 AromaticContact CE1-CD1 3.95Å; F116-F163 HydrophobicContact CE1-CD1 3.95Å; F116-F163 HydrophobicContact CE1-CD2 4.09Å; F116-F163 AromaticContact CE1-CE1 3.7Å; F116-F163 HydrophobicContact CE1-CE1 3.7Å; F116-F163 AromaticContact CE1-CE2 3.86Å; F116-F163 HydrophobicContact CE1-CE2 3.86Å; F116-F163 HydrophobicContact CE1-CG 4.13Å; F116-F163 AromaticContact CE1-CZ 3.65Å; F116-F163 HydrophobicContact CE1-CZ 3.65Å |
| 117 | N | 97.9 | Very high | 97.8 | Very high | 92 Ų | 92 | 78.3 Ų | 78.3 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 179.9 | -71.4 | -25.4 | 0 | 0 | 0 | 111.8 | E113 Q114 L120 T121 | E113-N117 WeakPolarHBondContact O-CB 3.28Å; E113-N117 PolarHBondContact O-N 2.86Å; E113-N117 PolarHBondContact O-ND2 3.13Å; Q114-N117 PolarHBondContact O-N 2.82Å; N117-L120 PolarHBondContact O-N 2.75Å; N117-T121 WeakPolarHBondContact O-CB 3.48Å; N117-T121 PolarHBondContact O-N 2.8Å; N117-T121 PolarHBondContact O-OG1 3.14Å |
| 118 | E | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 69 Ų | 69 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 175.9 | -74.1 | 173.2 | -169.9 | 0 | 0 | 111.2 | Q114 M115 L120 T121 Y122 | Q114-E118 WeakPolarHBondContact CG-OE1 3.44Å; Q114-E118 PolarHBondContact NE2-OE1 3.43Å; Q114-E118 WeakPolarHBondContact O-CG 3.1Å; Q114-E118 PolarHBondContact O-N 3.41Å; M115-E118 PolarHBondContact O-N 2.74Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 2.85Å; E118-T121 PolarHBondContact O-N 3.19Å; E118-Y122 HydrophobicContact CB-CD2 4.24Å; E118-Y122 HydrophobicContact CG-CD2 4.41Å; E118-Y122 HydrophobicContact CG-CE2 4.35Å; E118-Y122 WeakPolarHBondContact O-CB 3.3Å; E118-Y122 WeakPolarHBondContact O-CD2 3.45Å; E118-Y122 PolarHBondContact O-N 3.37Å |
| 119 | L | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -58.5 | -44.9 | 177.1 | -73.6 | 169 | 0 | 0 | 0 | 112 | C101 F102 M115 F116 N123 A124 | C101-L119 HydrophobicContact CB-CD1 4.15Å; C101-L119 HydrophobicContact CB-CD2 3.96Å; F102-L119 HydrophobicContact CB-CD1 4.37Å; F102-L119 HydrophobicContact CD1-CD1 3.78Å; F102-L119 HydrophobicContact CD2-CD1 4.13Å; F102-L119 HydrophobicContact CE1-CB 3.97Å; F102-L119 HydrophobicContact CE1-CD1 4.04Å; F102-L119 HydrophobicContact CE2-CD1 4.36Å; F102-L119 HydrophobicContact CG-CD1 3.84Å; F102-L119 HydrophobicContact CZ-CB 3.97Å; F102-L119 HydrophobicContact CZ-CD1 4.32Å; M115-L119 WeakPolarHBondContact O-CB 3.26Å; M115-L119 WeakPolarHBondContact O-CG 3.39Å; M115-L119 PolarHBondContact O-N 2.81Å; F116-L119 PolarHBondContact O-N 2.81Å; L119-N123 HydrophobicContact CD2-CB 4.41Å; L119-N123 CarbonylContact O-C 3.59Å; L119-N123 WeakPolarHBondContact O-CA 3.48Å; L119-N123 WeakPolarHBondContact O-CB 3.21Å; L119-N123 PolarHBondContact O-N 3.01Å; L119-N123 VanDerWaalsContact O-N 3.12Å; L119-A124 PolarHBondContact O-N 3.33Å |
| 120 | L | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -74.4 | -27 | -177.1 | -69.5 | 162.2 | 0 | 0 | 0 | 113.2 | F102 F116 N117 E118 L160 F163 K164 | F102-L120 HydrophobicContact CE1-CD1 4.13Å; F102-L120 HydrophobicContact CE1-CD2 4.17Å; F102-L120 HydrophobicContact CE1-CG 3.87Å; F102-L120 HydrophobicContact CZ-CD2 3.86Å; F102-L120 HydrophobicContact CZ-CG 3.98Å; F116-L120 WeakPolarHBondContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.5Å; F116-L120 VanDerWaalsContact O-CG 3.23Å; F116-L120 WeakPolarHBondContact O-CG 3.49Å; F116-L120 PolarHBondContact O-N 3.3Å; N117-L120 PolarHBondContact O-N 2.75Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 2.85Å; L120-L160 HydrophobicContact CD2-CD2 3.93Å; L120-F163 HydrophobicContact CD1-CB 3.56Å; L120-K164 HydrophobicContact CB-CB 4.23Å; L120-K164 HydrophobicContact CB-CD 4.48Å; L120-K164 HydrophobicContact CB-CG 4.31Å; L120-K164 HydrophobicContact CD1-CB 4.09Å; L120-K164 HydrophobicContact CD2-CB 3.96Å; L120-K164 HydrophobicContact CG-CB 4.31Å |
| 121 | T | 97.6 | Very high | 98.1 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -91.5 | -39.5 | -177.4 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | N117 E118 P125 | N117-T121 WeakPolarHBondContact O-CB 3.48Å; N117-T121 PolarHBondContact O-N 2.8Å; N117-T121 PolarHBondContact O-OG1 3.14Å; E118-T121 PolarHBondContact O-N 3.19Å; T121-P125 WeakPolarHBondContact O-CG 3.47Å |
| 122 | Y | 97.5 | Very high | 98.2 | Very high | 158 Ų | 158 | 60 Ų | 60 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | I | π-helix | trans | -110.3 | -24.5 | -169.8 | -55 | -59.4 | 0 | 0 | 0 | 113.9 | E118 H126 | E118-Y122 HydrophobicContact CB-CD2 4.24Å; E118-Y122 HydrophobicContact CG-CD2 4.41Å; E118-Y122 HydrophobicContact CG-CE2 4.35Å; E118-Y122 WeakPolarHBondContact O-CB 3.3Å; E118-Y122 WeakPolarHBondContact O-CD2 3.45Å; E118-Y122 PolarHBondContact O-N 3.37Å; Y122-H126 PolarHBondContact O-CD2 2.83Å; Y122-H126 PolarHBondContact O-NE2 2.96Å |
| 123 | N | 98 | Very high | 98.3 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -107.1 | -44.4 | -177.1 | -57.1 | 93.3 | 0 | 0 | 0 | 112.4 | F98 L119 P125 H126 L127 | F98-N123 HydrophobicContact CE2-CB 3.94Å; L119-N123 HydrophobicContact CD2-CB 4.41Å; L119-N123 CarbonylContact O-C 3.59Å; L119-N123 WeakPolarHBondContact O-CA 3.48Å; L119-N123 WeakPolarHBondContact O-CB 3.21Å; L119-N123 PolarHBondContact O-N 3.01Å; L119-N123 VanDerWaalsContact O-N 3.12Å; N123-P125 VanDerWaalsContact C-CD 3.47Å; N123-H126 PolarHBondContact O-N 3.13Å; N123-L127 PolarHBondContact O-N 2.84Å |
| 124 | A | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.2 | -41.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F98 L119 H126 L127 M128 L167 | F98-A124 HydrophobicContact CE1-CB 4.14Å; F98-A124 HydrophobicContact CZ-CB 3.62Å; L119-A124 PolarHBondContact O-N 3.33Å; A124-H126 VanDerWaalsContact C-N 3.25Å; A124-H126 PolarHBondContact O-N 2.98Å; A124-L127 PolarHBondContact O-N 2.58Å; A124-L127 VanDerWaalsContact O-N 3.14Å; A124-M128 VanDerWaalsContact O-CG 3.3Å; A124-M128 WeakPolarHBondContact O-CG 3.42Å; A124-M128 PolarHBondContact O-N 3.4Å; A124-L167 HydrophobicContact CB-CD1 3.65Å |
| 125 | P | 98.2 | Very high | 98.4 | Very high | 53 Ų | 53 | 56 Ų | 56 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | 179.6 | -27 | 37 | 0 | 0 | 0 | 113.7 | T121 N123 M128 Q129 | T121-P125 WeakPolarHBondContact O-CG 3.47Å; N123-P125 VanDerWaalsContact C-CD 3.47Å; P125-M128 PolarHBondContact O-N 3.18Å; P125-Q129 WeakPolarHBondContact O-CB 3.22Å; P125-Q129 PolarHBondContact O-N 3.13Å |
| 126 | H | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 53.2 Ų | 53.2 | 60% | 0.602 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.1 | -48.4 | 175.8 | -62.2 | -59.2 | 0 | 0 | 0 | 111.1 | Y122 N123 A124 M128 Q129 D130 | Y122-H126 PolarHBondContact O-CD2 2.83Å; Y122-H126 PolarHBondContact O-NE2 2.96Å; N123-H126 PolarHBondContact O-N 3.13Å; A124-H126 VanDerWaalsContact C-N 3.25Å; A124-H126 PolarHBondContact O-N 2.98Å; H126-M128 PolarHBondContact O-N 3.09Å; H126-Q129 PolarHBondContact O-N 3.21Å; H126-D130 PolarHBondContact O-N 2.97Å |
| 127 | L | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | 177.7 | 63.6 | 0 | 0 | 0 | 112.3 | T94 F98 N123 A124 Q129 D130 L131 | T94-L127 HydrophobicContact CG2-CD1 3.77Å; F98-L127 HydrophobicContact CB-CD2 3.52Å; F98-L127 HydrophobicContact CD1-CD2 3.44Å; F98-L127 VanDerWaalsContact CD1-CD2 3.44Å; F98-L127 HydrophobicContact CD2-CD2 3.96Å; F98-L127 HydrophobicContact CE1-CD2 4.15Å; F98-L127 HydrophobicContact CG-CD2 3.34Å; N123-L127 PolarHBondContact O-N 2.84Å; A124-L127 PolarHBondContact O-N 2.58Å; A124-L127 VanDerWaalsContact O-N 3.14Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 3.44Å; L127-D130 PolarHBondContact O-N 2.76Å; L127-L131 HydrophobicContact CD1-CD1 4.02Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.48Å; L127-L131 HydrophobicContact CG-CD1 3.89Å; L127-L131 HydrophobicContact CG-CG 4.35Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.43Å |
| 128 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.6 | -63.6 | -52.5 | 93.6 | 0 | 0 | 110.5 | A124 P125 H126 L131 D132 W153 L167 L168 H171 L174 | A124-M128 VanDerWaalsContact O-CG 3.3Å; A124-M128 WeakPolarHBondContact O-CG 3.42Å; A124-M128 PolarHBondContact O-N 3.4Å; P125-M128 PolarHBondContact O-N 3.18Å; H126-M128 PolarHBondContact O-N 3.09Å; M128-L131 HydrophobicContact CE-CD1 4.08Å; M128-D132 WeakPolarHBondContact O-CB 3.31Å; M128-D132 PolarHBondContact O-N 3.47Å; M128-W153 HydrophobicContact CE-CH2 4.31Å; M128-W153 HydrophobicContact CE-CZ3 4.01Å; M128-W153 HydrophobicContact SD-CH2 3.61Å; M128-W153 HydrophobicContact SD-CZ3 3.94Å; M128-L167 HydrophobicContact CG-CD1 4.09Å; M128-L167 HydrophobicContact CG-CG 4.2Å; M128-L167 HydrophobicContact SD-CD2 4.29Å; M128-L167 HydrophobicContact SD-CG 4.29Å; M128-L168 HydrophobicContact CG-CD2 4.19Å; M128-L168 HydrophobicContact SD-CD2 3.5Å; M128-L168 WeakPolarHBondContact SD-CD2 3.38Å; M128-H171 VanDerWaalsContact CB-CD2 3.46Å; M128-H171 WeakPolarHBondContact CB-CD2 3.26Å; M128-H171 WeakPolarHBondContact CB-NE2 3.47Å; M128-L174 HydrophobicContact CB-CD1 4.4Å; M128-L174 HydrophobicContact SD-CD1 4.4Å |
| 129 | Q | 98.8 | Very high | 98.3 | Very high | 88 Ų | 88 | 58 Ų | 58 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.4 | -175.3 | 59.3 | 72.5 | 0 | 0 | 112.3 | P125 H126 L127 D132 T133 | P125-Q129 WeakPolarHBondContact O-CB 3.22Å; P125-Q129 PolarHBondContact O-N 3.13Å; H126-Q129 PolarHBondContact O-N 3.21Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 3.44Å; Q129-D132 PolarHBondContact O-N 3.44Å; Q129-T133 PolarHBondContact NE2-OG1 2.88Å; Q129-T133 WeakPolarHBondContact O-CB 3.49Å; Q129-T133 PolarHBondContact O-N 3.42Å; Q129-T133 PolarHBondContact O-OG1 3.25Å |
| 130 | D | 98.8 | Very high | 98.3 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.8 | -45 | 178.8 | -69.9 | -19.4 | 0 | 0 | 0 | 111.5 | H126 L127 T133 Y134 | H126-D130 PolarHBondContact O-N 2.97Å; L127-D130 PolarHBondContact O-N 2.76Å; D130-T133 PolarHBondContact O-N 3.44Å; D130-Y134 VanDerWaalsContact O-CB 3.32Å; D130-Y134 WeakPolarHBondContact O-CB 3.39Å; D130-Y134 PolarHBondContact O-N 3.01Å |
| 131 | L | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.7 | -73.1 | 170.2 | 0 | 0 | 0 | 112.2 | I91 L95 L127 M128 Y134 L135 W153 L174 | I91-L131 HydrophobicContact CD1-CD2 4.41Å; I91-L131 HydrophobicContact CG2-CD2 4.48Å; L95-L131 HydrophobicContact CD2-CD1 3.67Å; L95-L131 HydrophobicContact CD2-CD2 4.49Å; L127-L131 HydrophobicContact CD1-CD1 4.02Å; L127-L131 HydrophobicContact CD1-CG 4.04Å; L127-L131 HydrophobicContact CD2-CD1 4.48Å; L127-L131 HydrophobicContact CG-CD1 3.89Å; L127-L131 HydrophobicContact CG-CG 4.35Å; L127-L131 WeakPolarHBondContact O-CB 3.44Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.43Å; M128-L131 HydrophobicContact CE-CD1 4.08Å; L131-Y134 PolarHBondContact O-N 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 PolarHBondContact O-N 3.36Å; L131-W153 HydrophobicContact CD1-CE3 3.93Å; L131-W153 HydrophobicContact CD1-CZ3 3.7Å; L131-L174 HydrophobicContact CB-CD1 4.28Å; L131-L174 HydrophobicContact CB-CD2 4.29Å |
| 132 | D | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 178.7 | -168.5 | 16.8 | 0 | 0 | 0 | 111 | M128 Q129 G136 H171 R173 L174 | M128-D132 WeakPolarHBondContact O-CB 3.31Å; M128-D132 PolarHBondContact O-N 3.47Å; Q129-D132 PolarHBondContact O-N 3.44Å; D132-G136 PolarHBondContact O-N 3.43Å; D132-H171 IonicContact OD2-CG 3.7Å; D132-H171 IonicContact OD2-ND1 3.3Å; D132-H171 PolarHBondContact OD2-ND1 3.4Å; D132-R173 PolarHBondContact O-NH2 2.7Å; D132-R173 WeakPolarHBondContact OD1-CB 3.47Å; D132-R173 IonicContact OD1-CZ 2.84Å; D132-R173 IonicContact OD1-NE 2.86Å; D132-R173 PolarHBondContact OD1-NE 2.8Å; D132-R173 IonicContact OD1-NH2 2.63Å; D132-R173 PolarHBondContact OD1-NH2 2.74Å; D132-R173 IonicContact OD2-NH2 3.16Å; D132-L174 HydrophobicContact CB-CD1 3.99Å; D132-L174 HydrophobicContact CB-CD2 4.39Å; D132-L174 HydrophobicContact CB-CG 3.96Å |
| 133 | T | 98.8 | Very high | 98.3 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 171.4 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | Q129 D130 G136 | Q129-T133 PolarHBondContact NE2-OG1 2.88Å; Q129-T133 WeakPolarHBondContact O-CB 3.49Å; Q129-T133 PolarHBondContact O-N 3.42Å; Q129-T133 PolarHBondContact O-OG1 3.25Å; D130-T133 PolarHBondContact O-N 3.44Å; T133-G136 PolarHBondContact O-N 3.27Å |
| 134 | Y | 98.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179.5 | -178 | -89.7 | 0 | 0 | 0 | 112.5 | I91 D130 L131 G136 K138 L141 I142 | I91-Y134 HydrophobicContact CD1-CD1 3.73Å; I91-Y134 HydrophobicContact CD1-CD2 4.36Å; I91-Y134 HydrophobicContact CD1-CE1 3.64Å; I91-Y134 HydrophobicContact CD1-CE2 4.28Å; I91-Y134 HydrophobicContact CD1-CG 4.1Å; I91-Y134 HydrophobicContact CG1-CD1 4.41Å; I91-Y134 HydrophobicContact CG1-CE1 3.87Å; D130-Y134 VanDerWaalsContact O-CB 3.32Å; D130-Y134 WeakPolarHBondContact O-CB 3.39Å; D130-Y134 PolarHBondContact O-N 3.01Å; L131-Y134 PolarHBondContact O-N 3.3Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; Y134-K138 WeakPolarHBondContact O-CE 3.5Å; Y134-K138 PolarHBondContact O-NZ 3.03Å; Y134-L141 HydrophobicContact CD1-CD2 4.22Å; Y134-L141 VanDerWaalsContact CE1-O 3.28Å; Y134-L141 WeakPolarHBondContact CE1-O 3.48Å; Y134-I142 HydrophobicContact CE1-CD1 4.4Å |
| 135 | L | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.5 | 179.6 | 62.5 | 0 | 0 | 0 | 110.1 | L131 G137 K138 L141 R173 L174 L177 | L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 PolarHBondContact O-N 3.36Å; L135-G137 PolarHBondContact O-N 2.92Å; L135-K138 HydrophobicContact CD1-CB 4.38Å; L135-K138 VanDerWaalsContact O-CB 3.24Å; L135-K138 WeakPolarHBondContact O-CB 3.35Å; L135-K138 WeakPolarHBondContact O-CE 3.3Å; L135-K138 WeakPolarHBondContact O-CG 3.49Å; L135-K138 PolarHBondContact O-N 2.95Å; L135-L141 HydrophobicContact CB-CD2 4.26Å; L135-L141 HydrophobicContact CD1-CD2 4.31Å; L135-R173 HydrophobicContact CD2-CB 4.07Å; L135-L174 HydrophobicContact CD2-CD2 3.96Å; L135-L177 HydrophobicContact CD1-CD2 4.33Å; L135-L177 HydrophobicContact CD2-CB 4.21Å; L135-L177 HydrophobicContact CD2-CD2 4.15Å |
| 136 | G | 98 | Very high | 98.2 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -131.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D132 T133 Y134 R173 | D132-G136 PolarHBondContact O-N 3.43Å; T133-G136 PolarHBondContact O-N 3.27Å; Y134-G136 VanDerWaalsContact C-N 3.33Å; G136-R173 VanDerWaalsContact CA-NH1 3.31Å; G136-R173 WeakPolarHBondContact O-CD 3.42Å; G136-R173 PolarHBondContact O-NE 2.93Å; G136-R173 PolarHBondContact O-NH1 2.95Å |
| 137 | G | 97.4 | Very high | 98.2 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 91% | 0.907 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L135 | L135-G137 PolarHBondContact O-N 2.92Š|
| 138 | K | 98.2 | Very high | 98.3 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | trans | -73.2 | 157.3 | -175.5 | -61.9 | 175.1 | -71.9 | 179.3 | 0 | 111.3 | Y134 L135 W140 L141 | Y134-K138 WeakPolarHBondContact O-CE 3.5Å; Y134-K138 PolarHBondContact O-NZ 3.03Å; L135-K138 HydrophobicContact CD1-CB 4.38Å; L135-K138 VanDerWaalsContact O-CB 3.24Å; L135-K138 WeakPolarHBondContact O-CB 3.35Å; L135-K138 WeakPolarHBondContact O-CE 3.3Å; L135-K138 WeakPolarHBondContact O-CG 3.49Å; L135-K138 PolarHBondContact O-N 2.95Å; K138-W140 VanDerWaalsContact CB-O 3.31Å; K138-W140 WeakPolarHBondContact CB-O 3.38Å; K138-L141 PolarHBondContact NZ-O 3.19Å | ||
| 139 | E | 98 | Very high | 98.3 | Very high | 111 Ų | 111 | 44.7 Ų | 44.7 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -78.2 | -35.5 | 177.5 | -172.4 | 174 | 172.2 | 0 | 0 | 112.9 | K180 | E139-K180 VanDerWaalsContact CD-NZ 3.31Å; E139-K180 HydrophobicContact CG-CD 4.47Å; E139-K180 WeakPolarHBondContact O-CE 3.45Å; E139-K180 IonicContact OE1-NZ 3.86Å; E139-K180 PolarHBondContact OE1-NZ 2.92Å |
| 140 | W | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -130.4 | 162.6 | 179.2 | -55.3 | 103 | 0 | 0 | 0 | 109.1 | K138 I142 S145 V146 D150 L177 K180 V181 I184 | K138-W140 VanDerWaalsContact CB-O 3.31Å; K138-W140 WeakPolarHBondContact CB-O 3.38Å; W140-I142 VanDerWaalsContact C-N 3.31Å; W140-I142 PolarHBondContact O-N 2.92Å; W140-S145 VanDerWaalsContact CD1-C 3.44Å; W140-V146 HydrophobicContact CD2-CB 3.89Å; W140-V146 HydrophobicContact CD2-CG2 4.38Å; W140-V146 HydrophobicContact CE3-CB 3.76Å; W140-V146 HydrophobicContact CE3-CG2 3.73Å; W140-V146 HydrophobicContact CH2-CB 3.86Å; W140-V146 HydrophobicContact CH2-CG2 4.04Å; W140-V146 HydrophobicContact CZ2-CB 4Å; W140-V146 HydrophobicContact CZ3-CB 3.74Å; W140-V146 HydrophobicContact CZ3-CG2 3.54Å; W140-D150 HydrophobicContact CE3-CB 4.1Å; W140-D150 HydrophobicContact CZ3-CB 4.49Å; W140-L177 HydrophobicContact CE3-CD1 3.78Å; W140-L177 HydrophobicContact CZ3-CD1 4.21Å; W140-K180 HydrophobicContact CH2-CB 3.9Å; W140-K180 HydrophobicContact CZ3-CB 4.08Å; W140-V181 HydrophobicContact CZ3-CG2 3.95Å; W140-I184 HydrophobicContact CH2-CD1 4.17Å |
| 141 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -60.6 | -42.5 | -178.5 | -73.3 | 159.4 | 0 | 0 | 0 | 111.4 | I91 Y134 L135 K138 A149 D150 W153 L177 | I91-L141 HydrophobicContact CG2-CD1 4.07Å; Y134-L141 HydrophobicContact CD1-CD2 4.22Å; Y134-L141 VanDerWaalsContact CE1-O 3.28Å; Y134-L141 WeakPolarHBondContact CE1-O 3.48Å; L135-L141 HydrophobicContact CB-CD2 4.26Å; L135-L141 HydrophobicContact CD1-CD2 4.31Å; K138-L141 PolarHBondContact NZ-O 3.19Å; L141-A149 HydrophobicContact CD1-CB 4.41Å; L141-D150 WeakPolarHBondContact CB-OD1 3.5Å; L141-D150 WeakPolarHBondContact CG-OD1 3.38Å; L141-D150 PolarHBondContact N-OD1 3.39Å; L141-W153 HydrophobicContact CD1-CB 4.03Å; L141-L177 HydrophobicContact CD1-CD2 3.88Å; L141-L177 HydrophobicContact CD2-CD2 4.15Å; L141-L177 HydrophobicContact CG-CD2 3.67Å |
| 142 | I | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -124.8 | 138.5 | 179.2 | -64.5 | 75.2 | 0 | 0 | 0 | 109.8 | E84 Q87 V88 I91 Y134 W140 T147 A149 | E84-I142 HydrophobicContact CB-CG2 3.72Å; E84-I142 HydrophobicContact CG-CG2 3.8Å; Q87-I142 HydrophobicContact CB-CG1 3.75Å; Q87-I142 HydrophobicContact CB-CG2 4.43Å; V88-I142 HydrophobicContact CG2-CB 3.88Å; V88-I142 HydrophobicContact CG2-CD1 4.01Å; V88-I142 HydrophobicContact CG2-CG1 3.78Å; V88-I142 HydrophobicContact CG2-CG2 4.05Å; I91-I142 HydrophobicContact CB-CD1 4.41Å; I91-I142 HydrophobicContact CG1-CD1 3.99Å; Y134-I142 HydrophobicContact CE1-CD1 4.4Å; W140-I142 VanDerWaalsContact C-N 3.31Å; W140-I142 PolarHBondContact O-N 2.92Å; I142-T147 HydrophobicContact CB-CG2 4.33Å; I142-A149 HydrophobicContact CD1-CB 4.14Å |
| 143 | G | 95.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -153.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 144 | N | 96.3 | Very high | 98.3 | Very high | 153 Ų | 153 | 31 Ų | 31 | 82% | 0.818 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 6.3 | -177.2 | -63.6 | -32.6 | 0 | 0 | 0 | 113.1 | ||
| 145 | S | 97.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -138.3 | 158.4 | -177.8 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | W140 | W140-S145 VanDerWaalsContact CD1-C 3.44Š|
| 146 | V | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | trans | -63.3 | 139.3 | 178.5 | 65 | 0 | 0 | 0 | 0 | 111.4 | Y24 L77 W140 D150 F151 I184 | Y24-V146 HydrophobicContact CE2-CG1 4.03Å; L77-V146 HydrophobicContact CD2-CG1 4.29Å; W140-V146 HydrophobicContact CD2-CB 3.89Å; W140-V146 HydrophobicContact CD2-CG2 4.38Å; W140-V146 HydrophobicContact CE3-CB 3.76Å; W140-V146 HydrophobicContact CE3-CG2 3.73Å; W140-V146 HydrophobicContact CH2-CB 3.86Å; W140-V146 HydrophobicContact CH2-CG2 4.04Å; W140-V146 HydrophobicContact CZ2-CB 4Å; W140-V146 HydrophobicContact CZ3-CB 3.74Å; W140-V146 HydrophobicContact CZ3-CG2 3.54Å; V146-D150 HydrophobicContact CG2-CB 3.94Å; V146-F151 HydrophobicContact CG2-CD1 4.11Å; V146-F151 HydrophobicContact CG2-CE1 3.5Å; V146-F151 HydrophobicContact CG2-CZ 4.13Å; V146-I184 HydrophobicContact CB-CD1 4.33Å; V146-I184 HydrophobicContact CG1-CD1 4.16Å; V146-I184 HydrophobicContact CG2-CD1 3.91Å | ||
| 147 | T | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -122.2 | 170.2 | 175 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | L77 V88 I142 A149 D150 F151 | L77-T147 CarbonylContact O-C 3.58Å; L77-T147 WeakPolarHBondContact O-CA 3.46Å; L77-T147 VanDerWaalsContact O-CB 3.23Å; L77-T147 WeakPolarHBondContact O-CB 3.32Å; V88-T147 HydrophobicContact CG2-CG2 3.74Å; I142-T147 HydrophobicContact CB-CG2 4.33Å; T147-A149 PolarHBondContact O-N 3.42Å; T147-A149 PolarHBondContact OG1-N 3.18Å; T147-D150 PolarHBondContact N-OD2 3.1Å; T147-D150 WeakPolarHBondContact O-CB 3.49Å; T147-D150 PolarHBondContact O-N 3.11Å; T147-D150 VanDerWaalsContact O-N 3.13Å; T147-D150 PolarHBondContact OG1-OD2 2.93Å; T147-F151 PolarHBondContact O-N 2.92Å | ||
| 148 | W | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.9 | -13 | 175.8 | 72.2 | -83.5 | 0 | 0 | 0 | 113.5 | I17 I21 L65 A68 R69 T72 L77 V88 D89 V92 F151 Y152 | I17-W148 HydrophobicContact CD1-CB 4.47Å; I17-W148 HydrophobicContact CD1-CE3 4.24Å; I17-W148 HydrophobicContact CG1-CE3 4.07Å; I21-W148 HydrophobicContact CD1-CB 4.37Å; L65-W148 HydrophobicContact CB-CH2 4.45Å; L65-W148 HydrophobicContact CD2-CZ3 4.18Å; A68-W148 HydrophobicContact CB-CE3 3.93Å; A68-W148 HydrophobicContact CB-CH2 4.45Å; A68-W148 HydrophobicContact CB-CZ3 3.81Å; R69-W148 HydrophobicContact CB-CZ2 4.36Å; T72-W148 HydrophobicContact CG2-CB 4Å; T72-W148 HydrophobicContact CG2-CG 4.04Å; L77-W148 VanDerWaalsContact O-CD1 3.23Å; L77-W148 PolarHBondContact O-N 2.94Å; V88-W148 VanDerWaalsContact CG1-CD1 3.49Å; V88-W148 HydrophobicContact CG1-CD2 4.23Å; V88-W148 HydrophobicContact CG1-CG 4.11Å; V88-W148 HydrophobicContact CG1-CZ2 4.34Å; D89-W148 VanDerWaalsContact OD1-CZ2 3.3Å; D89-W148 WeakPolarHBondContact OD1-CZ2 3.37Å; V92-W148 HydrophobicContact CB-CH2 3.87Å; V92-W148 HydrophobicContact CB-CZ2 4.5Å; V92-W148 HydrophobicContact CB-CZ3 3.94Å; V92-W148 HydrophobicContact CG1-CE3 4.32Å; V92-W148 HydrophobicContact CG1-CH2 3.55Å; V92-W148 HydrophobicContact CG1-CZ3 3.39Å; V92-W148 HydrophobicContact CG2-CD2 4.09Å; V92-W148 HydrophobicContact CG2-CE3 3.69Å; V92-W148 HydrophobicContact CG2-CH2 3.69Å; V92-W148 HydrophobicContact CG2-CZ2 4.06Å; V92-W148 HydrophobicContact CG2-CZ3 3.51Å; W148-F151 HydrophobicContact CB-CD2 4.49Å; W148-F151 PolarHBondContact O-N 2.6Å; W148-Y152 PolarHBondContact O-N 3.31Å |
| 149 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | V88 I91 V92 L141 I142 T147 F151 Y152 W153 | V88-A149 HydrophobicContact CG1-CB 3.92Å; I91-A149 HydrophobicContact CB-CB 4.27Å; I91-A149 HydrophobicContact CG2-CB 4.04Å; V92-A149 HydrophobicContact CG2-CB 3.96Å; L141-A149 HydrophobicContact CD1-CB 4.41Å; I142-A149 HydrophobicContact CD1-CB 4.14Å; T147-A149 PolarHBondContact O-N 3.42Å; T147-A149 PolarHBondContact OG1-N 3.18Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3.37Å; A149-Y152 PolarHBondContact O-N 3.12Å; A149-W153 WeakPolarHBondContact O-CB 3.46Å; A149-W153 PolarHBondContact O-N 3.23Å |
| 150 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 176.3 | -54.5 | -76.4 | 0 | 0 | 0 | 111 | W140 L141 V146 T147 W153 E154 L177 V181 | W140-D150 HydrophobicContact CE3-CB 4.1Å; W140-D150 HydrophobicContact CZ3-CB 4.49Å; L141-D150 WeakPolarHBondContact CB-OD1 3.5Å; L141-D150 WeakPolarHBondContact CG-OD1 3.38Å; L141-D150 PolarHBondContact N-OD1 3.39Å; V146-D150 HydrophobicContact CG2-CB 3.94Å; T147-D150 PolarHBondContact N-OD2 3.1Å; T147-D150 WeakPolarHBondContact O-CB 3.49Å; T147-D150 PolarHBondContact O-N 3.11Å; T147-D150 VanDerWaalsContact O-N 3.13Å; T147-D150 PolarHBondContact OG1-OD2 2.93Å; D150-W153 PolarHBondContact O-N 3.09Å; D150-E154 PolarHBondContact O-N 3.43Å; D150-E154 VanDerWaalsContact O-N 3.07Å; D150-L177 HydrophobicContact CB-CD1 4.46Å; D150-V181 HydrophobicContact CB-CG2 3.83Å |
| 151 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 172.1 | -62.9 | -10.7 | 0 | 0 | 0 | 111.4 | I17 Y20 Y24 L77 V146 T147 W148 A149 W153 E154 I155 V181 I184 I187 | I17-F151 HydrophobicContact CD1-CB 3.72Å; Y20-F151 HydrophobicContact CD2-CB 4.02Å; Y20-F151 HydrophobicContact CD2-CD1 4.47Å; Y20-F151 HydrophobicContact CD2-CG 4.13Å; Y24-F151 HydrophobicContact CD2-CE1 4.48Å; Y24-F151 HydrophobicContact CD2-CE2 4.19Å; Y24-F151 AromaticContact CD2-CZ 3.5Å; Y24-F151 HydrophobicContact CD2-CZ 3.5Å; Y24-F151 AromaticContact CE2-CZ 3.99Å; Y24-F151 HydrophobicContact CE2-CZ 3.99Å; Y24-F151 HydrophobicContact CG-CE2 4.06Å; Y24-F151 AromaticContact CG-CZ 3.84Å; Y24-F151 HydrophobicContact CG-CZ 3.84Å; L77-F151 HydrophobicContact CD1-CE2 3.91Å; L77-F151 HydrophobicContact CD2-CE2 3.58Å; L77-F151 HydrophobicContact CD2-CZ 3.66Å; L77-F151 HydrophobicContact CG-CE2 4.42Å; V146-F151 HydrophobicContact CG2-CD1 4.11Å; V146-F151 HydrophobicContact CG2-CE1 3.5Å; V146-F151 HydrophobicContact CG2-CZ 4.13Å; T147-F151 PolarHBondContact O-N 2.92Å; W148-F151 HydrophobicContact CB-CD2 4.49Å; W148-F151 PolarHBondContact O-N 2.6Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3.37Å; F151-W153 VanDerWaalsContact C-N 3.32Å; F151-W153 PolarHBondContact O-N 3.15Å; F151-E154 PolarHBondContact O-N 3.41Å; F151-I155 WeakPolarHBondContact O-CD1 3.41Å; F151-I155 VanDerWaalsContact O-CG1 3.3Å; F151-I155 WeakPolarHBondContact O-CG1 3.37Å; F151-I155 PolarHBondContact O-N 2.88Å; F151-V181 HydrophobicContact CD1-CG1 3.66Å; F151-V181 HydrophobicContact CD1-CG2 4.4Å; F151-V181 HydrophobicContact CE1-CG1 4.18Å; F151-I184 HydrophobicContact CE1-CD1 3.79Å; F151-I184 HydrophobicContact CZ-CD1 4.43Å; F151-I187 HydrophobicContact CE1-CD1 4.43Å; F151-I187 HydrophobicContact CE1-CG1 4.19Å; F151-I187 HydrophobicContact CE2-CD1 4.39Å; F151-I187 HydrophobicContact CZ-CD1 4.21Å; F151-I187 HydrophobicContact CZ-CG1 4.28Å |
| 152 | Y | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 19 Ų | 19 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | -179.7 | -150.8 | -120.3 | 0 | 0 | 0 | 112 | I17 L65 V92 L95 D96 W148 A149 I155 C156 | I17-Y152 HydrophobicContact CB-CD2 3.76Å; I17-Y152 HydrophobicContact CB-CE2 3.99Å; I17-Y152 HydrophobicContact CD1-CD2 4.01Å; I17-Y152 HydrophobicContact CG1-CD2 3.77Å; I17-Y152 HydrophobicContact CG1-CE2 4.37Å; I17-Y152 HydrophobicContact CG2-CD2 4.27Å; I17-Y152 HydrophobicContact CG2-CE2 4.04Å; L65-Y152 HydrophobicContact CD2-CD2 4.46Å; L65-Y152 HydrophobicContact CD2-CE1 4.2Å; L65-Y152 HydrophobicContact CD2-CE2 3.82Å; V92-Y152 HydrophobicContact CB-CD1 4.36Å; V92-Y152 HydrophobicContact CG1-CD1 3.73Å; V92-Y152 HydrophobicContact CG1-CE1 4Å; V92-Y152 HydrophobicContact CG1-CG 4.19Å; L95-Y152 HydrophobicContact CB-CD1 3.9Å; L95-Y152 HydrophobicContact CB-CE1 4.19Å; L95-Y152 HydrophobicContact CD1-CD1 4.15Å; D96-Y152 HydrophobicContact CB-CE1 4.03Å; D96-Y152 PolarHBondContact OD1-OH 3.47Å; W148-Y152 PolarHBondContact O-N 3.31Å; A149-Y152 PolarHBondContact O-N 3.12Å; Y152-I155 PolarHBondContact O-N 2.95Å; Y152-C156 VanDerWaalsContact O-CB 3.32Å; Y152-C156 WeakPolarHBondContact O-CB 3.34Å; Y152-C156 PolarHBondContact O-N 3.47Å; Y152-C156 PolarHBondContact O-SG 3.43Å |
| 153 | W | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.2 | -52 | 169.7 | 165 | -114.1 | 0 | 0 | 0 | 111.5 | L95 M128 L131 L141 A149 D150 F151 I155 C156 S157 L168 L174 L177 R178 | L95-W153 HydrophobicContact CD1-CB 4.14Å; L95-W153 HydrophobicContact CD2-CE3 3.94Å; L95-W153 HydrophobicContact CD2-CZ3 4.4Å; M128-W153 HydrophobicContact CE-CH2 4.31Å; M128-W153 HydrophobicContact CE-CZ3 4.01Å; M128-W153 HydrophobicContact SD-CH2 3.61Å; M128-W153 HydrophobicContact SD-CZ3 3.94Å; L131-W153 HydrophobicContact CD1-CE3 3.93Å; L131-W153 HydrophobicContact CD1-CZ3 3.7Å; L141-W153 HydrophobicContact CD1-CB 4.03Å; A149-W153 WeakPolarHBondContact O-CB 3.46Å; A149-W153 PolarHBondContact O-N 3.23Å; D150-W153 PolarHBondContact O-N 3.09Å; F151-W153 VanDerWaalsContact C-N 3.32Å; F151-W153 PolarHBondContact O-N 3.15Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.49Å; W153-C156 PolarHBondContact O-N 3.13Å; W153-S157 WeakPolarHBondContact O-CB 3.37Å; W153-S157 PolarHBondContact O-N 3.46Å; W153-S157 PolarHBondContact O-OG 2.85Å; W153-L168 HydrophobicContact CH2-CD1 4.38Å; W153-L168 HydrophobicContact CH2-CD2 3.81Å; W153-L168 HydrophobicContact CZ2-CD1 4.01Å; W153-L168 HydrophobicContact CZ2-CD2 4.13Å; W153-L174 HydrophobicContact CH2-CB 4.31Å; W153-L174 HydrophobicContact CH2-CD1 3.9Å; W153-L174 HydrophobicContact CZ2-CB 3.63Å; W153-L174 HydrophobicContact CZ2-CD1 4.05Å; W153-L174 HydrophobicContact CZ2-CD2 4.37Å; W153-L174 HydrophobicContact CZ2-CG 4.25Å; W153-L174 PolarHBondContact NE1-O 3.12Å; W153-L177 VanDerWaalsContact CD1-CD2 3.48Å; W153-L177 HydrophobicContact CG-CD2 4.21Å; W153-R178 HydrophobicContact CZ2-CG 4.3Å |
| 154 | E | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -44.1 | -180 | -166.7 | -73.7 | 140.9 | 0 | 0 | 111.9 | Y20 D150 F151 S157 T158 R178 V181 Q182 | Y20-E154 VanDerWaalsContact CE2-OE2 3.26Å; Y20-E154 WeakPolarHBondContact CE2-OE2 3.08Å; Y20-E154 VanDerWaalsContact CZ-OE2 3.28Å; Y20-E154 PolarHBondContact OH-OE2 3.01Å; D150-E154 PolarHBondContact O-N 3.43Å; D150-E154 VanDerWaalsContact O-N 3.07Å; F151-E154 PolarHBondContact O-N 3.41Å; E154-S157 PolarHBondContact O-OG 2.82Å; E154-T158 WeakPolarHBondContact O-CB 3.38Å; E154-T158 PolarHBondContact O-N 3.25Å; E154-T158 PolarHBondContact O-OG1 3.17Å; E154-T158 PolarHBondContact OE1-OG1 3.09Å; E154-R178 HydrophobicContact CG-CB 4.47Å; E154-R178 PolarHBondContact O-NH1 2.84Å; E154-R178 IonicContact OE1-NH1 3.79Å; E154-V181 HydrophobicContact CB-CB 4.1Å; E154-V181 HydrophobicContact CB-CG1 3.77Å; E154-V181 HydrophobicContact CB-CG2 4.5Å; E154-V181 HydrophobicContact CG-CB 4.14Å; E154-V181 HydrophobicContact CG-CG1 3.9Å; E154-Q182 HydrophobicContact CG-CG 3.89Å; E154-Q182 PolarHBondContact OE1-NE2 2.71Å |
| 155 | I | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -49 | 179.7 | -70.3 | 162.6 | 0 | 0 | 0 | 111.3 | E16 I17 Y20 F151 Y152 W153 T158 T159 | E16-I155 HydrophobicContact CB-CD1 4.16Å; E16-I155 HydrophobicContact CB-CG1 4.38Å; E16-I155 HydrophobicContact CB-CG2 4.05Å; E16-I155 HydrophobicContact CG-CD1 4.16Å; E16-I155 HydrophobicContact CG-CG1 4.1Å; E16-I155 HydrophobicContact CG-CG2 4.43Å; I17-I155 HydrophobicContact CB-CD1 4.01Å; I17-I155 HydrophobicContact CD1-CD1 4.06Å; Y20-I155 HydrophobicContact CD1-CD1 4.27Å; Y20-I155 HydrophobicContact CD2-CD1 3.98Å; Y20-I155 HydrophobicContact CD2-CG1 4.24Å; Y20-I155 HydrophobicContact CE1-CG1 4.37Å; Y20-I155 HydrophobicContact CE2-CD1 4.22Å; Y20-I155 HydrophobicContact CE2-CG1 3.95Å; Y20-I155 HydrophobicContact CG-CD1 3.99Å; F151-I155 WeakPolarHBondContact O-CD1 3.41Å; F151-I155 VanDerWaalsContact O-CG1 3.3Å; F151-I155 WeakPolarHBondContact O-CG1 3.37Å; F151-I155 PolarHBondContact O-N 2.88Å; Y152-I155 PolarHBondContact O-N 2.95Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.49Å; I155-T158 PolarHBondContact O-N 2.98Å; I155-T159 PolarHBondContact O-N 3.39Å; I155-T159 PolarHBondContact O-OG1 3.1Å |
| 156 | C | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -51.9 | -179.6 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | M99 Y152 W153 T158 T159 L160 | M99-C156 HydrophobicContact CG-CB 3.99Å; M99-C156 HydrophobicContact SD-CB 3.99Å; Y152-C156 VanDerWaalsContact O-CB 3.32Å; Y152-C156 WeakPolarHBondContact O-CB 3.34Å; Y152-C156 PolarHBondContact O-N 3.47Å; Y152-C156 PolarHBondContact O-SG 3.43Å; W153-C156 PolarHBondContact O-N 3.13Å; C156-T158 VanDerWaalsContact C-N 3.29Å; C156-T158 PolarHBondContact O-N 3.2Å; C156-T159 WeakPolarHBondContact O-CB 3.29Å; C156-T159 PolarHBondContact O-N 3.22Å; C156-L160 WeakPolarHBondContact O-CG 3.47Å; C156-L160 PolarHBondContact O-N 3.14Å |
| 157 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.3 | -30.7 | -179 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | W153 E154 T159 L160 L161 R178 | W153-S157 WeakPolarHBondContact O-CB 3.37Å; W153-S157 PolarHBondContact O-N 3.46Å; W153-S157 PolarHBondContact O-OG 2.85Å; E154-S157 PolarHBondContact O-OG 2.82Å; S157-T159 VanDerWaalsContact C-N 3.27Å; S157-T159 PolarHBondContact O-N 2.63Å; S157-L160 PolarHBondContact O-N 2.75Å; S157-L161 WeakPolarHBondContact O-CB 3.39Å; S157-L161 WeakPolarHBondContact O-CD1 3.42Å; S157-L161 WeakPolarHBondContact O-CG 3.24Å; S157-L161 PolarHBondContact O-N 3.22Å; S157-R178 VanDerWaalsContact OG-CD 3.31Å; S157-R178 WeakPolarHBondContact OG-CD 3.34Å; S157-R178 PolarHBondContact OG-NH1 3.47Å |
| 158 | T | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 15% | 0.147 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 171.6 | -78.1 | 0 | 0 | 0 | 0 | 111.5 | E154 I155 C156 R178 | E154-T158 WeakPolarHBondContact O-CB 3.38Å; E154-T158 PolarHBondContact O-N 3.25Å; E154-T158 PolarHBondContact O-OG1 3.17Å; E154-T158 PolarHBondContact OE1-OG1 3.09Å; I155-T158 PolarHBondContact O-N 2.98Å; C156-T158 VanDerWaalsContact C-N 3.29Å; C156-T158 PolarHBondContact O-N 3.2Å; T158-R178 VanDerWaalsContact N-NH1 3.12Å; T158-R178 PolarHBondContact OG1-NH1 2.91Å; T158-R178 PolarHBondContact OG1-NH2 3.19Å |
| 159 | T | 98.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.7 | -42.2 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | M99 W104 I155 C156 S157 L161 V162 F163 L199 | M99-T159 HydrophobicContact CE-CG2 4.17Å; W104-T159 HydrophobicContact CH2-CG2 4.09Å; W104-T159 HydrophobicContact CZ3-CG2 4.39Å; I155-T159 PolarHBondContact O-N 3.39Å; I155-T159 PolarHBondContact O-OG1 3.1Å; C156-T159 WeakPolarHBondContact O-CB 3.29Å; C156-T159 PolarHBondContact O-N 3.22Å; S157-T159 VanDerWaalsContact C-N 3.27Å; S157-T159 PolarHBondContact O-N 2.63Å; T159-L161 VanDerWaalsContact C-N 3.31Å; T159-L161 PolarHBondContact O-N 3.27Å; T159-V162 WeakPolarHBondContact O-CB 3.5Å; T159-V162 PolarHBondContact O-N 2.81Å; T159-V162 VanDerWaalsContact O-N 3.13Å; T159-F163 HydrophobicContact CG2-CE2 4.14Å; T159-F163 VanDerWaalsContact O-CD2 3.29Å; T159-F163 WeakPolarHBondContact O-CD2 3.49Å; T159-L199 HydrophobicContact CG2-CD2 3.83Å |
| 160 | L | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 177.7 | -65.6 | 171.4 | 0 | 0 | 0 | 112 | F98 M99 F102 L120 C156 S157 V162 F163 K164 L167 | F98-L160 HydrophobicContact CE1-CD1 4.25Å; F98-L160 HydrophobicContact CE1-CD2 4.06Å; M99-L160 HydrophobicContact CE-CD2 4.4Å; M99-L160 HydrophobicContact CE-CG 4.48Å; M99-L160 HydrophobicContact SD-CD1 4.1Å; M99-L160 HydrophobicContact SD-CD2 3.73Å; M99-L160 HydrophobicContact SD-CG 3.83Å; F102-L160 HydrophobicContact CE2-CD2 3.78Å; F102-L160 HydrophobicContact CZ-CD2 3.63Å; L120-L160 HydrophobicContact CD2-CD2 3.93Å; C156-L160 WeakPolarHBondContact O-CG 3.47Å; C156-L160 PolarHBondContact O-N 3.14Å; S157-L160 PolarHBondContact O-N 2.75Å; L160-V162 PolarHBondContact O-N 2.83Å; L160-F163 PolarHBondContact O-N 3.01Å; L160-K164 PolarHBondContact O-N 3.17Å; L160-L167 HydrophobicContact CB-CD2 3.56Å; L160-L167 HydrophobicContact CD1-CD2 3.98Å; L160-L167 HydrophobicContact CG-CD2 4.33Å |
| 161 | L | 98.5 | Very high | 98.4 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -19.8 | 178.2 | -72.6 | 168 | 0 | 0 | 0 | 113.9 | S157 T159 F163 P165 L167 L168 | S157-L161 WeakPolarHBondContact O-CB 3.39Å; S157-L161 WeakPolarHBondContact O-CD1 3.42Å; S157-L161 WeakPolarHBondContact O-CG 3.24Å; S157-L161 PolarHBondContact O-N 3.22Å; T159-L161 VanDerWaalsContact C-N 3.31Å; T159-L161 PolarHBondContact O-N 3.27Å; L161-F163 PolarHBondContact O-N 3.34Å; L161-P165 WeakPolarHBondContact CD2-O 3.32Å; L161-L167 HydrophobicContact CD2-CB 4.25Å; L161-L168 HydrophobicContact CD1-CD1 4.09Å; L161-L168 HydrophobicContact CD2-CD1 4.38Å; L161-L168 HydrophobicContact CD2-CG 4.21Å; L161-L168 HydrophobicContact CG-CD1 4.48Å |
| 162 | V | 97.9 | Very high | 98.4 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 39% | 0.394 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -32.2 | 170.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | T159 L160 K198 | T159-V162 WeakPolarHBondContact O-CB 3.5Å; T159-V162 PolarHBondContact O-N 2.81Å; T159-V162 VanDerWaalsContact O-N 3.13Å; L160-V162 PolarHBondContact O-N 2.83Å; V162-K198 HydrophobicContact CG1-CG 4.16Å |
| 163 | F | 97.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 44 Ų | 44 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -99.3 | -27.3 | -177.6 | -61.7 | -80.9 | 0 | 0 | 0 | 113.1 | W104 F116 L120 T159 L160 L161 L199 | W104-F163 HydrophobicContact CH2-CE2 4.36Å; W104-F163 AromaticContact CZ3-CE2 3.9Å; W104-F163 HydrophobicContact CZ3-CE2 3.9Å; W104-F163 HydrophobicContact CZ3-CZ 4.18Å; F116-F163 AromaticContact CD1-CD1 3.74Å; F116-F163 HydrophobicContact CD1-CD1 3.74Å; F116-F163 HydrophobicContact CD1-CD2 4.31Å; F116-F163 AromaticContact CD1-CE1 3.92Å; F116-F163 HydrophobicContact CD1-CE1 3.92Å; F116-F163 HydrophobicContact CD1-CE2 4.49Å; F116-F163 AromaticContact CD1-CG 3.94Å; F116-F163 HydrophobicContact CD1-CG 3.94Å; F116-F163 HydrophobicContact CD1-CZ 4.29Å; F116-F163 AromaticContact CE1-CD1 3.95Å; F116-F163 HydrophobicContact CE1-CD1 3.95Å; F116-F163 HydrophobicContact CE1-CD2 4.09Å; F116-F163 AromaticContact CE1-CE1 3.7Å; F116-F163 HydrophobicContact CE1-CE1 3.7Å; F116-F163 AromaticContact CE1-CE2 3.86Å; F116-F163 HydrophobicContact CE1-CE2 3.86Å; F116-F163 HydrophobicContact CE1-CG 4.13Å; F116-F163 AromaticContact CE1-CZ 3.65Å; F116-F163 HydrophobicContact CE1-CZ 3.65Å; L120-F163 HydrophobicContact CD1-CB 3.56Å; T159-F163 HydrophobicContact CG2-CE2 4.14Å; T159-F163 VanDerWaalsContact O-CD2 3.29Å; T159-F163 WeakPolarHBondContact O-CD2 3.49Å; L160-F163 PolarHBondContact O-N 3.01Å; L161-F163 PolarHBondContact O-N 3.34Å; F163-L199 HydrophobicContact CE2-CD2 3.71Å; F163-L199 HydrophobicContact CZ-CD2 3.8Å |
| 164 | K | 98 | Very high | 98.4 | Very high | 59 Ų | 59 | 44 Ų | 44 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | trans | -140 | 84.4 | -179.5 | -169.5 | 68.8 | 174.2 | 134.9 | 0 | 110.3 | L120 L160 D166 L167 | L120-K164 HydrophobicContact CB-CB 4.23Å; L120-K164 HydrophobicContact CB-CD 4.48Å; L120-K164 HydrophobicContact CB-CG 4.31Å; L120-K164 HydrophobicContact CD1-CB 4.09Å; L120-K164 HydrophobicContact CD2-CB 3.96Å; L120-K164 HydrophobicContact CG-CB 4.31Å; L160-K164 PolarHBondContact O-N 3.17Å; K164-D166 WeakPolarHBondContact CD-OD1 3.14Å; K164-D166 WeakPolarHBondContact CE-OD1 3.41Å; K164-D166 VanDerWaalsContact CG-OD1 3.31Å; K164-D166 WeakPolarHBondContact CG-OD1 3.44Å; K164-D166 IonicContact NZ-OD1 2.78Å; K164-D166 PolarHBondContact NZ-OD1 2.72Å; K164-D166 IonicContact NZ-OD2 3.5Å; K164-D166 PolarHBondContact NZ-OD2 3.05Å; K164-D166 PolarHBondContact O-N 2.88Å; K164-L167 HydrophobicContact CB-CB 4.12Å; K164-L167 HydrophobicContact CG-CB 3.9Å; K164-L167 HydrophobicContact CG-CD1 4.38Å; K164-L167 WeakPolarHBondContact O-CB 3.21Å; K164-L167 PolarHBondContact O-N 3.5Å; K164-L167 VanDerWaalsContact O-N 3.14Å | ||
| 165 | P | 98.1 | Very high | 98.4 | Very high | 100 Ų | 100 | 46 Ų | 46 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.8 | -173.8 | -26.8 | 36.2 | 0 | 0 | 0 | 115 | L161 | L161-P165 WeakPolarHBondContact CD2-O 3.32Š|
| 166 | D | 97.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.3 | -179.8 | 60 | -24.2 | 0 | 0 | 0 | 113.5 | K164 L168 D169 | K164-D166 WeakPolarHBondContact CD-OD1 3.14Å; K164-D166 WeakPolarHBondContact CE-OD1 3.41Å; K164-D166 VanDerWaalsContact CG-OD1 3.31Å; K164-D166 WeakPolarHBondContact CG-OD1 3.44Å; K164-D166 IonicContact NZ-OD1 2.78Å; K164-D166 PolarHBondContact NZ-OD1 2.72Å; K164-D166 IonicContact NZ-OD2 3.5Å; K164-D166 PolarHBondContact NZ-OD2 3.05Å; K164-D166 PolarHBondContact O-N 2.88Å; D166-L168 PolarHBondContact O-N 3.1Å; D166-D169 WeakPolarHBondContact CB-OD2 3.29Å; D166-D169 PolarHBondContact O-N 2.83Å |
| 167 | L | 98.3 | Very high | 98.4 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32 | -172.7 | -179.9 | 63.7 | 0 | 0 | 0 | 113.9 | A124 M128 L160 L161 K164 | A124-L167 HydrophobicContact CB-CD1 3.65Å; M128-L167 HydrophobicContact CG-CD1 4.09Å; M128-L167 HydrophobicContact CG-CG 4.2Å; M128-L167 HydrophobicContact SD-CD2 4.29Å; M128-L167 HydrophobicContact SD-CG 4.29Å; L160-L167 HydrophobicContact CB-CD2 3.56Å; L160-L167 HydrophobicContact CD1-CD2 3.98Å; L160-L167 HydrophobicContact CG-CD2 4.33Å; L161-L167 HydrophobicContact CD2-CB 4.25Å; K164-L167 HydrophobicContact CB-CB 4.12Å; K164-L167 HydrophobicContact CG-CB 3.9Å; K164-L167 HydrophobicContact CG-CD1 4.38Å; K164-L167 WeakPolarHBondContact O-CB 3.21Å; K164-L167 PolarHBondContact O-N 3.5Å; K164-L167 VanDerWaalsContact O-N 3.14Å |
| 168 | L | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 7.9 | -173.7 | -55.1 | -178 | 0 | 0 | 0 | 113.6 | M128 W153 L161 D166 I170 H171 V175 R178 | M128-L168 HydrophobicContact CG-CD2 4.19Å; M128-L168 HydrophobicContact SD-CD2 3.5Å; M128-L168 WeakPolarHBondContact SD-CD2 3.38Å; W153-L168 HydrophobicContact CH2-CD1 4.38Å; W153-L168 HydrophobicContact CH2-CD2 3.81Å; W153-L168 HydrophobicContact CZ2-CD1 4.01Å; W153-L168 HydrophobicContact CZ2-CD2 4.13Å; L161-L168 HydrophobicContact CD1-CD1 4.09Å; L161-L168 HydrophobicContact CD2-CD1 4.38Å; L161-L168 HydrophobicContact CD2-CG 4.21Å; L161-L168 HydrophobicContact CG-CD1 4.48Å; D166-L168 PolarHBondContact O-N 3.1Å; L168-I170 PolarHBondContact O-N 3.09Å; L168-I170 VanDerWaalsContact O-N 3.16Å; L168-H171 CarbonylContact O-C 3.59Å; L168-H171 PolarHBondContact O-N 2.85Å; L168-V175 HydrophobicContact CB-CG2 3.62Å; L168-V175 HydrophobicContact CD1-CG2 4.19Å; L168-R178 VanDerWaalsContact CD1-CD 3.46Å |
| 169 | D | 97.8 | Very high | 98.4 | Very high | 124 Ų | 124 | 55.6 Ų | 55.6 | 66% | 0.663 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.9 | -173.3 | -77.3 | 4.2 | 0 | 0 | 0 | 112.5 | D166 | D166-D169 WeakPolarHBondContact CB-OD2 3.29Å; D166-D169 PolarHBondContact O-N 2.83Å |
| 170 | I | 97.8 | Very high | 98.4 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.1 | 178.3 | 67.9 | 170.6 | 0 | 0 | 0 | 113.9 | L168 P172 | L168-I170 PolarHBondContact O-N 3.09Å; L168-I170 VanDerWaalsContact O-N 3.16Å; I170-P172 VanDerWaalsContact O-CD 3.26Å; I170-P172 WeakPolarHBondContact O-CD 3.36Å |
| 171 | H | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | trans | -120.3 | 64.7 | -177.5 | -60.7 | -66.2 | 0 | 0 | 0 | 111.9 | M128 D132 L168 R173 L174 V175 | M128-H171 VanDerWaalsContact CB-CD2 3.46Å; M128-H171 WeakPolarHBondContact CB-CD2 3.26Å; M128-H171 WeakPolarHBondContact CB-NE2 3.47Å; D132-H171 IonicContact OD2-CG 3.7Å; D132-H171 IonicContact OD2-ND1 3.3Å; D132-H171 PolarHBondContact OD2-ND1 3.4Å; L168-H171 CarbonylContact O-C 3.59Å; L168-H171 PolarHBondContact O-N 2.85Å; H171-R173 PolarHBondContact O-N 3.33Å; H171-R173 VanDerWaalsContact O-N 3.15Å; H171-L174 HydrophobicContact CB-CB 4.13Å; H171-L174 HydrophobicContact CB-CD1 3.93Å; H171-L174 HydrophobicContact CB-CG 4.11Å; H171-L174 PolarHBondContact O-N 2.98Å; H171-L174 VanDerWaalsContact O-N 3.09Å; H171-V175 PolarHBondContact O-N 2.88Å | ||
| 172 | P | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -26.5 | -172.5 | 25.5 | -35.6 | 0 | 0 | 0 | 113.8 | I170 V175 T176 | I170-P172 VanDerWaalsContact O-CD 3.26Å; I170-P172 WeakPolarHBondContact O-CD 3.36Å; P172-V175 PolarHBondContact O-N 3.25Å; P172-T176 WeakPolarHBondContact O-CB 3.48Å; P172-T176 PolarHBondContact O-N 3.13Å; P172-T176 PolarHBondContact O-OG1 3.01Å |
| 173 | R | 98.7 | Very high | 98.5 | Very high | 101 Ų | 101 | 59 Ų | 59 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 176.1 | -62.5 | -174.6 | -66.3 | -166.6 | -5.9 | 111.5 | D132 L135 G136 H171 V175 T176 L177 | D132-R173 PolarHBondContact O-NH2 2.7Å; D132-R173 WeakPolarHBondContact OD1-CB 3.47Å; D132-R173 IonicContact OD1-CZ 2.84Å; D132-R173 IonicContact OD1-NE 2.86Å; D132-R173 PolarHBondContact OD1-NE 2.8Å; D132-R173 IonicContact OD1-NH2 2.63Å; D132-R173 PolarHBondContact OD1-NH2 2.74Å; D132-R173 IonicContact OD2-NH2 3.16Å; L135-R173 HydrophobicContact CD2-CB 4.07Å; G136-R173 VanDerWaalsContact CA-NH1 3.31Å; G136-R173 WeakPolarHBondContact O-CD 3.42Å; G136-R173 PolarHBondContact O-NE 2.93Å; G136-R173 PolarHBondContact O-NH1 2.95Å; H171-R173 PolarHBondContact O-N 3.33Å; H171-R173 VanDerWaalsContact O-N 3.15Å; R173-V175 VanDerWaalsContact C-N 3.34Å; R173-V175 PolarHBondContact O-N 3.35Å; R173-T176 WeakPolarHBondContact O-CB 3.33Å; R173-T176 PolarHBondContact O-N 3.38Å; R173-T176 VanDerWaalsContact O-N 3.12Å; R173-L177 PolarHBondContact O-N 2.94Å |
| 174 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 175.4 | -65.3 | -172.1 | 0 | 0 | 0 | 112 | M128 L131 D132 L135 W153 H171 T176 L177 R178 | M128-L174 HydrophobicContact CB-CD1 4.4Å; M128-L174 HydrophobicContact SD-CD1 4.4Å; L131-L174 HydrophobicContact CB-CD1 4.28Å; L131-L174 HydrophobicContact CB-CD2 4.29Å; D132-L174 HydrophobicContact CB-CD1 3.99Å; D132-L174 HydrophobicContact CB-CD2 4.39Å; D132-L174 HydrophobicContact CB-CG 3.96Å; L135-L174 HydrophobicContact CD2-CD2 3.96Å; W153-L174 HydrophobicContact CH2-CB 4.31Å; W153-L174 HydrophobicContact CH2-CD1 3.9Å; W153-L174 HydrophobicContact CZ2-CB 3.63Å; W153-L174 HydrophobicContact CZ2-CD1 4.05Å; W153-L174 HydrophobicContact CZ2-CD2 4.37Å; W153-L174 HydrophobicContact CZ2-CG 4.25Å; W153-L174 PolarHBondContact NE1-O 3.12Å; H171-L174 HydrophobicContact CB-CB 4.13Å; H171-L174 HydrophobicContact CB-CD1 3.93Å; H171-L174 HydrophobicContact CB-CG 4.11Å; H171-L174 PolarHBondContact O-N 2.98Å; H171-L174 VanDerWaalsContact O-N 3.09Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-L177 PolarHBondContact O-N 3.46Å; L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.01Å; L174-R178 VanDerWaalsContact O-N 3.1Å |
| 175 | V | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L168 H171 P172 R173 R178 K179 | L168-V175 HydrophobicContact CB-CG2 3.62Å; L168-V175 HydrophobicContact CD1-CG2 4.19Å; H171-V175 PolarHBondContact O-N 2.88Å; P172-V175 PolarHBondContact O-N 3.25Å; R173-V175 VanDerWaalsContact C-N 3.34Å; R173-V175 PolarHBondContact O-N 3.35Å; V175-R178 WeakPolarHBondContact O-CB 3.23Å; V175-R178 PolarHBondContact O-N 3.43Å; V175-K179 HydrophobicContact CG1-CD 4.45Å; V175-K179 WeakPolarHBondContact O-CG 3.14Å; V175-K179 PolarHBondContact O-N 2.93Å; V175-K179 VanDerWaalsContact O-N 3.11Å |
| 176 | T | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 47% | 0.466 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 178 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | P172 R173 L174 R178 K179 K180 | P172-T176 WeakPolarHBondContact O-CB 3.48Å; P172-T176 PolarHBondContact O-N 3.13Å; P172-T176 PolarHBondContact O-OG1 3.01Å; R173-T176 WeakPolarHBondContact O-CB 3.33Å; R173-T176 PolarHBondContact O-N 3.38Å; R173-T176 VanDerWaalsContact O-N 3.12Å; L174-T176 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.39Å; T176-K179 PolarHBondContact O-N 3.39Å; T176-K180 HydrophobicContact CG2-CD 4.37Å; T176-K180 WeakPolarHBondContact O-CG 3.35Å; T176-K180 PolarHBondContact O-N 2.92Å |
| 177 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.5 | -179.3 | 61.5 | 0 | 0 | 0 | 112 | L135 W140 L141 D150 W153 R173 L174 K179 K180 V181 | L135-L177 HydrophobicContact CD1-CD2 4.33Å; L135-L177 HydrophobicContact CD2-CB 4.21Å; L135-L177 HydrophobicContact CD2-CD2 4.15Å; W140-L177 HydrophobicContact CE3-CD1 3.78Å; W140-L177 HydrophobicContact CZ3-CD1 4.21Å; L141-L177 HydrophobicContact CD1-CD2 3.88Å; L141-L177 HydrophobicContact CD2-CD2 4.15Å; L141-L177 HydrophobicContact CG-CD2 3.67Å; D150-L177 HydrophobicContact CB-CD1 4.46Å; W153-L177 VanDerWaalsContact CD1-CD2 3.48Å; W153-L177 HydrophobicContact CG-CD2 4.21Å; R173-L177 PolarHBondContact O-N 2.94Å; L174-L177 PolarHBondContact O-N 3.46Å; L177-K179 VanDerWaalsContact C-N 3.35Å; L177-K179 PolarHBondContact O-N 3.43Å; L177-K180 WeakPolarHBondContact O-CB 3.42Å; L177-K180 PolarHBondContact O-N 3.42Å; L177-V181 PolarHBondContact O-N 3.16Å |
| 178 | R | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 174.2 | -69.4 | 170.1 | 52.3 | 59.5 | 3.3 | 111.4 | W153 E154 S157 T158 L168 L174 V175 T176 K180 V181 Q182 | W153-R178 HydrophobicContact CZ2-CG 4.3Å; E154-R178 HydrophobicContact CG-CB 4.47Å; E154-R178 PolarHBondContact O-NH1 2.84Å; E154-R178 IonicContact OE1-NH1 3.79Å; S157-R178 VanDerWaalsContact OG-CD 3.31Å; S157-R178 WeakPolarHBondContact OG-CD 3.34Å; S157-R178 PolarHBondContact OG-NH1 3.47Å; T158-R178 VanDerWaalsContact N-NH1 3.12Å; T158-R178 PolarHBondContact OG1-NH1 2.91Å; T158-R178 PolarHBondContact OG1-NH2 3.19Å; L168-R178 VanDerWaalsContact CD1-CD 3.46Å; L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.01Å; L174-R178 VanDerWaalsContact O-N 3.1Å; V175-R178 WeakPolarHBondContact O-CB 3.23Å; V175-R178 PolarHBondContact O-N 3.43Å; T176-R178 PolarHBondContact O-N 3.39Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.03Å; R178-V181 PolarHBondContact O-N 3.06Å; R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 WeakPolarHBondContact O-CG 3.2Å; R178-Q182 PolarHBondContact O-N 3.31Å |
| 179 | K | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 57.7 Ų | 57.7 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -38.4 | 179.5 | -71.4 | 176.7 | 179 | 178.1 | 0 | 112 | V175 T176 L177 Q182 A183 | V175-K179 HydrophobicContact CG1-CD 4.45Å; V175-K179 WeakPolarHBondContact O-CG 3.14Å; V175-K179 PolarHBondContact O-N 2.93Å; V175-K179 VanDerWaalsContact O-N 3.11Å; T176-K179 PolarHBondContact O-N 3.39Å; L177-K179 VanDerWaalsContact C-N 3.35Å; L177-K179 PolarHBondContact O-N 3.43Å; K179-Q182 PolarHBondContact O-N 2.88Å; K179-A183 VanDerWaalsContact O-CB 3.26Å; K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.18Å |
| 180 | K | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176 | -72.1 | 175.8 | 68.3 | 79.4 | 0 | 111.6 | E139 W140 T176 L177 R178 A183 I184 | E139-K180 VanDerWaalsContact CD-NZ 3.31Å; E139-K180 HydrophobicContact CG-CD 4.47Å; E139-K180 WeakPolarHBondContact O-CE 3.45Å; E139-K180 IonicContact OE1-NZ 3.86Å; E139-K180 PolarHBondContact OE1-NZ 2.92Å; W140-K180 HydrophobicContact CH2-CB 3.9Å; W140-K180 HydrophobicContact CZ3-CB 4.08Å; T176-K180 HydrophobicContact CG2-CD 4.37Å; T176-K180 WeakPolarHBondContact O-CG 3.35Å; T176-K180 PolarHBondContact O-N 2.92Å; L177-K180 WeakPolarHBondContact O-CB 3.42Å; L177-K180 PolarHBondContact O-N 3.42Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.03Å; K180-A183 PolarHBondContact O-N 3.21Å; K180-I184 PolarHBondContact O-N 3.48Å |
| 181 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y20 W140 D150 F151 E154 L177 R178 A183 I184 I187 | Y20-V181 HydrophobicContact CE2-CG1 4.4Å; W140-V181 HydrophobicContact CZ3-CG2 3.95Å; D150-V181 HydrophobicContact CB-CG2 3.83Å; F151-V181 HydrophobicContact CD1-CG1 3.66Å; F151-V181 HydrophobicContact CD1-CG2 4.4Å; F151-V181 HydrophobicContact CE1-CG1 4.18Å; E154-V181 HydrophobicContact CB-CB 4.1Å; E154-V181 HydrophobicContact CB-CG1 3.77Å; E154-V181 HydrophobicContact CB-CG2 4.5Å; E154-V181 HydrophobicContact CG-CB 4.14Å; E154-V181 HydrophobicContact CG-CG1 3.9Å; L177-V181 PolarHBondContact O-N 3.16Å; R178-V181 PolarHBondContact O-N 3.06Å; V181-A183 PolarHBondContact O-N 2.88Å; V181-I184 WeakPolarHBondContact O-CB 3.45Å; V181-I184 PolarHBondContact O-N 2.87Å; V181-I184 VanDerWaalsContact O-N 3.13Å; V181-I187 HydrophobicContact CG1-CG2 4.33Å |
| 182 | Q | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -25.1 | -180 | -69.1 | 165.8 | -3.1 | 0 | 0 | 113.3 | E154 R178 K179 A188 I191 | E154-Q182 HydrophobicContact CG-CG 3.89Å; E154-Q182 PolarHBondContact OE1-NE2 2.71Å; R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 WeakPolarHBondContact O-CG 3.2Å; R178-Q182 PolarHBondContact O-N 3.31Å; K179-Q182 PolarHBondContact O-N 2.88Å; Q182-A188 VanDerWaalsContact O-CB 3.32Å; Q182-A188 WeakPolarHBondContact O-CB 3.26Å; Q182-I191 HydrophobicContact CB-CD1 4.3Å; Q182-I191 HydrophobicContact CG-CD1 3.94Å |
| 183 | A | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -84 | -11 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K179 K180 V181 P185 | K179-A183 VanDerWaalsContact O-CB 3.26Å; K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.18Å; K180-A183 PolarHBondContact O-N 3.21Å; V181-A183 PolarHBondContact O-N 2.88Å; A183-P185 WeakPolarHBondContact O-CD 3.42Å |
| 184 | I | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -61.4 | 123.5 | 174.9 | -66.2 | 167.2 | 0 | 0 | 0 | 108.2 | Y24 W140 V146 F151 K180 V181 A186 I187 A188 | Y24-I184 HydrophobicContact CD2-CG2 3.82Å; Y24-I184 HydrophobicContact CE2-CD1 4.4Å; Y24-I184 HydrophobicContact CE2-CG2 3.77Å; W140-I184 HydrophobicContact CH2-CD1 4.17Å; V146-I184 HydrophobicContact CB-CD1 4.33Å; V146-I184 HydrophobicContact CG1-CD1 4.16Å; V146-I184 HydrophobicContact CG2-CD1 3.91Å; F151-I184 HydrophobicContact CE1-CD1 3.79Å; F151-I184 HydrophobicContact CZ-CD1 4.43Å; K180-I184 PolarHBondContact O-N 3.48Å; V181-I184 WeakPolarHBondContact O-CB 3.45Å; V181-I184 PolarHBondContact O-N 2.87Å; V181-I184 VanDerWaalsContact O-N 3.13Å; I184-A186 VanDerWaalsContact C-N 3.31Å; I184-A186 PolarHBondContact O-N 3.42Å; I184-A186 VanDerWaalsContact O-N 3.13Å; I184-I187 HydrophobicContact CB-CB 4.12Å; I184-I187 HydrophobicContact CB-CG1 3.99Å; I184-I187 HydrophobicContact CG2-CB 4.45Å; I184-I187 HydrophobicContact CG2-CG1 3.98Å; I184-I187 CarbonylContact O-C 3.54Å; I184-I187 WeakPolarHBondContact O-CA 3.34Å; I184-I187 PolarHBondContact O-N 3.38Å; I184-A188 WeakPolarHBondContact O-CB 3.35Å; I184-A188 PolarHBondContact O-N 3.48Å |
| 185 | P | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.3 | -42.6 | -168.3 | -30.9 | 35.7 | 0 | 0 | 0 | 115.1 | A183 N189 | A183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-N189 WeakPolarHBondContact O-CB 3.37Å; P185-N189 PolarHBondContact O-N 2.8Å |
| 186 | A | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A23 I184 N189 W190 | A23-A186 WeakPolarHBondContact O-CB 3.43Å; I184-A186 VanDerWaalsContact C-N 3.31Å; I184-A186 PolarHBondContact O-N 3.42Å; I184-A186 VanDerWaalsContact O-N 3.13Å; A186-N189 PolarHBondContact O-N 2.94Å; A186-W190 PolarHBondContact O-N 3.49Å |
| 187 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 177.7 | -58.1 | -54.9 | 0 | 0 | 0 | 110.8 | Y20 Y24 F151 V181 I184 N189 W190 I191 | Y20-I187 HydrophobicContact CD2-CD1 3.86Å; Y20-I187 HydrophobicContact CD2-CG2 3.91Å; Y20-I187 HydrophobicContact CE2-CG2 3.58Å; Y20-I187 HydrophobicContact CG-CD1 3.95Å; Y20-I187 WeakPolarHBondContact O-CD1 3.37Å; Y24-I187 HydrophobicContact CD2-CG1 4.46Å; F151-I187 HydrophobicContact CE1-CD1 4.43Å; F151-I187 HydrophobicContact CE1-CG1 4.19Å; F151-I187 HydrophobicContact CE2-CD1 4.39Å; F151-I187 HydrophobicContact CZ-CD1 4.21Å; F151-I187 HydrophobicContact CZ-CG1 4.28Å; V181-I187 HydrophobicContact CG1-CG2 4.33Å; I184-I187 HydrophobicContact CB-CB 4.12Å; I184-I187 HydrophobicContact CB-CG1 3.99Å; I184-I187 HydrophobicContact CG2-CB 4.45Å; I184-I187 HydrophobicContact CG2-CG1 3.98Å; I184-I187 CarbonylContact O-C 3.54Å; I184-I187 WeakPolarHBondContact O-CA 3.34Å; I184-I187 PolarHBondContact O-N 3.38Å; I187-N189 VanDerWaalsContact C-N 3.29Å; I187-N189 PolarHBondContact O-N 3.4Å; I187-W190 PolarHBondContact O-N 3.3Å; I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.23Å; I187-I191 WeakPolarHBondContact O-CB 3.45Å; I187-I191 VanDerWaalsContact O-CG1 3.3Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 2.87Å |
| 188 | A | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 75.1 Ų | 75.1 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.7 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q182 I184 K192 | Q182-A188 VanDerWaalsContact O-CB 3.32Å; Q182-A188 WeakPolarHBondContact O-CB 3.26Å; I184-A188 WeakPolarHBondContact O-CB 3.35Å; I184-A188 PolarHBondContact O-N 3.48Å; A188-K192 WeakPolarHBondContact O-CB 3.36Å; A188-K192 PolarHBondContact O-N 3.44Å |
| 189 | N | 98.8 | Very high | 98 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.5 | -170.3 | -82.9 | 0 | 0 | 0 | 111.7 | P185 A186 I187 K192 R193 | P185-N189 WeakPolarHBondContact O-CB 3.37Å; P185-N189 PolarHBondContact O-N 2.8Å; A186-N189 PolarHBondContact O-N 2.94Å; I187-N189 VanDerWaalsContact C-N 3.29Å; I187-N189 PolarHBondContact O-N 3.4Å; N189-K192 PolarHBondContact O-N 3.48Å; N189-R193 WeakPolarHBondContact O-CG 3.12Å; N189-R193 PolarHBondContact O-N 2.99Å; N189-R193 VanDerWaalsContact O-N 3.17Å; N189-R193 WeakPolarHBondContact OD1-CD 3.31Å; N189-R193 PolarHBondContact OD1-NE 3.14Å |
| 190 | W | 98.8 | Very high | 98 | Very high | 36 Ų | 36 | 73.3 Ų | 73.3 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -51 | 175.7 | 170.9 | -106.5 | 0 | 0 | 0 | 112 | E16 R19 Y20 A23 A186 I187 K192 R193 R194 | E16-W190 PolarHBondContact OE1-NE1 3.12Å; R19-W190 HydrophobicContact CB-CH2 4.2Å; R19-W190 HydrophobicContact CB-CZ2 3.66Å; R19-W190 HydrophobicContact CG-CH2 4.39Å; R19-W190 HydrophobicContact CG-CZ2 4.07Å; Y20-W190 AromaticContact CD1-CD1 3.4Å; Y20-W190 HydrophobicContact CD1-CG 4.5Å; Y20-W190 AromaticContact CD1-NE1 3.59Å; Y20-W190 AromaticContact CE1-CD1 3.29Å; Y20-W190 AromaticContact CE1-NE1 3.52Å; A23-W190 HydrophobicContact CB-CB 3.8Å; A23-W190 HydrophobicContact CB-CG 4.2Å; A186-W190 PolarHBondContact O-N 3.49Å; I187-W190 PolarHBondContact O-N 3.3Å; W190-K192 PolarHBondContact O-N 2.97Å; W190-R193 PolarHBondContact O-N 3.18Å; W190-R194 HydrophobicContact CD2-CB 4.28Å; W190-R194 HydrophobicContact CH2-CB 4.07Å; W190-R194 HydrophobicContact CZ2-CB 3.58Å; W190-R194 WeakPolarHBondContact O-CB 3.06Å; W190-R194 PolarHBondContact O-N 2.82Å |
| 191 | I | 98.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 74 Ų | 74 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57 | -38 | 178.9 | -69.5 | 171 | 0 | 0 | 0 | 111.2 | Y20 Q182 I187 | Y20-I191 HydrophobicContact CE1-CG1 4.39Å; Y20-I191 WeakPolarHBondContact OH-CD1 3.34Å; Y20-I191 WeakPolarHBondContact OH-CG1 3.3Å; Q182-I191 HydrophobicContact CB-CD1 4.3Å; Q182-I191 HydrophobicContact CG-CD1 3.94Å; I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.23Å; I187-I191 WeakPolarHBondContact O-CB 3.45Å; I187-I191 VanDerWaalsContact O-CG1 3.3Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 2.87Å |
| 192 | K | 98.5 | Very high | 97.9 | Very high | 186 Ų | 186 | 78.1 Ų | 78.1 | 81% | 0.809 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.1 | -32.8 | 177.9 | -176.5 | 178.2 | 178.7 | 179.3 | 0 | 113 | A188 N189 W190 | A188-K192 WeakPolarHBondContact O-CB 3.36Å; A188-K192 PolarHBondContact O-N 3.44Å; N189-K192 PolarHBondContact O-N 3.48Å; W190-K192 PolarHBondContact O-N 2.97Å |
| 193 | R | 98 | Very high | 97.8 | Very high | 191 Ų | 191 | 79 Ų | 79 | 72% | 0.721 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -100.3 | -22.7 | -172 | -67.4 | -179 | -177.4 | -143.8 | 0.6 | 114.2 | N189 W190 | N189-R193 WeakPolarHBondContact O-CG 3.12Å; N189-R193 PolarHBondContact O-N 2.99Å; N189-R193 VanDerWaalsContact O-N 3.17Å; N189-R193 WeakPolarHBondContact OD1-CD 3.31Å; N189-R193 PolarHBondContact OD1-NE 3.14Å; W190-R193 PolarHBondContact O-N 3.18Å |
| 194 | R | 98 | Very high | 97.8 | Very high | 37 Ų | 37 | 79.5 Ų | 79.5 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -61 | 150.6 | -178.3 | 72.9 | 178.4 | 179.3 | -164.7 | -6.8 | 111.3 | R12 E16 Y20 W190 Q196 | R12-R194 VanDerWaalsContact CD-NH1 3.31Å; E16-R194 WeakPolarHBondContact OE1-CD 3.32Å; E16-R194 IonicContact OE1-CZ 3.65Å; E16-R194 IonicContact OE1-NE 2.82Å; E16-R194 IonicContact OE1-NH1 3.82Å; E16-R194 PolarHBondContact OE1-NH1 3.21Å; Y20-R194 PolarHBondContact OH-NH1 2.67Å; W190-R194 HydrophobicContact CD2-CB 4.28Å; W190-R194 HydrophobicContact CH2-CB 4.07Å; W190-R194 HydrophobicContact CZ2-CB 3.58Å; W190-R194 WeakPolarHBondContact O-CB 3.06Å; W190-R194 PolarHBondContact O-N 2.82Å; R194-Q196 PolarHBondContact O-N 3.23Å |
| 195 | P | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 83.1 Ų | 83.1 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | trans | -54.3 | 139.1 | 172 | -27.5 | 36.8 | 0 | 0 | 0 | 112.5 | T197 | P195-T197 HydrophobicContact CB-CG2 4.27Å; P195-T197 PolarHBondContact O-N 2.78Å | ||
| 196 | Q | 98 | Very high | 97.6 | Very high | 205 Ų | 205 | 81.1 Ų | 81.1 | 96% | 0.958 | 39% | 0.391 | S | S | * | . | trans | -80.9 | 99.8 | 175.4 | -68.5 | -171.2 | -17.9 | 0 | 0 | 110 | R194 | R194-Q196 PolarHBondContact O-N 3.23Š| ||
| 197 | T | 97.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 84.8 Ų | 84.8 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | trans | -118.5 | 152.2 | 178.9 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | N10 R12 P195 L199 | N10-T197 VanDerWaalsContact O-CG2 3.29Å; N10-T197 WeakPolarHBondContact O-CG2 3.46Å; R12-T197 PolarHBondContact NH1-O 3.33Å; P195-T197 HydrophobicContact CB-CG2 4.27Å; P195-T197 PolarHBondContact O-N 2.78Å; T197-L199 WeakPolarHBondContact CB-O 3.5Å; T197-L199 PolarHBondContact OG1-O 2.75Å | ||
| 198 | K | 93.8 | Very high | 97.4 | Very high | 150 Ų | 150 | 91.8 Ų | 91.8 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | trans | -63.5 | -45.1 | 176.9 | -175.5 | 175.1 | -179.5 | 176.3 | 0 | 111.3 | R12 V162 | R12-K198 PolarHBondContact NH2-O 3.45Å; V162-K198 HydrophobicContact CG1-CG 4.16Å | ||
| 199 | L | 91.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 96.5 Ų | 96.5 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | trans | -115.7 | 0 | -179 | -58.2 | 179.5 | 0 | 0 | 0 | 112 | M11 R12 G13 W104 T159 F163 T197 | M11-L199 CarbonylContact C-O 3.55Å; M11-L199 WeakPolarHBondContact CA-O 3.28Å; M11-L199 WeakPolarHBondContact CB-O 3.44Å; M11-L199 HydrophobicContact SD-CB 4.16Å; R12-L199 VanDerWaalsContact CB-OXT 3.24Å; R12-L199 WeakPolarHBondContact CB-OXT 3.46Å; R12-L199 PolarHBondContact N-O 2.98Å; R12-L199 PolarHBondContact N-OXT 3.44Å; G13-L199 PolarHBondContact N-OXT 2.85Å; W104-L199 HydrophobicContact CZ3-CD2 4.49Å; T159-L199 HydrophobicContact CG2-CD2 3.83Å; F163-L199 HydrophobicContact CE2-CD2 3.71Å; F163-L199 HydrophobicContact CZ-CD2 3.8Å; T197-L199 WeakPolarHBondContact CB-O 3.5Å; T197-L199 PolarHBondContact OG1-O 2.75Å |
Retrieved 199 of 199 residues in 44.5 ms
(Link to these results)