| 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 | 47.8 | Very low | 90.4 | Very high | 242 Ų | 242 | 51.2 Ų | 51.2 | 100% | 1.192 | 30% | 0.302 | S | S | * | . | 0 | 135.7 | 0 | -70.4 | -170.1 | -93.7 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 67.3 | Low | 91.1 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 84% | 0.843 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 133.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 3 | G | 89.7 | Confident | 91.7 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 143.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | M1 | M1-G3 PolarHBondContact O-N 3.48Š|
| 4 | K | 98.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 145.6 | 174.7 | -67.8 | -64.7 | -172.3 | -177.4 | 0 | 110.8 | I31 A32 D68 L172 M173 | K4-I31 HydrophobicContact CB-CG1 4.24Å; K4-I31 HydrophobicContact CB-CG2 4.38Å; K4-A32 PolarHBondContact O-N 3.32Å; K4-D68 VanDerWaalsContact CA-OD2 3.31Å; K4-D68 WeakPolarHBondContact CA-OD2 3.33Å; K4-D68 HydrophobicContact CD-CB 4.02Å; K4-D68 WeakPolarHBondContact CD-OD1 3.26Å; K4-D68 WeakPolarHBondContact CD-OD2 3.17Å; K4-D68 IonicContact NZ-OD1 2.88Å; K4-D68 PolarHBondContact NZ-OD1 2.84Å; K4-L172 WeakPolarHBondContact CE-O 3.2Å; K4-L172 HydrophobicContact CG-CB 4.34Å; K4-M173 HydrophobicContact CB-SD 3.84Å; K4-M173 HydrophobicContact CG-SD 3.43Å; K4-M173 WeakPolarHBondContact CG-SD 3.31Å |
| 5 | K | 98.6 | Very high | 92.7 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.5 | -179.4 | -55.3 | -175.5 | -172.7 | 178.5 | 0 | 112.1 | A32 Y67 D68 V69 | K5-A32 CarbonylContact C-O 3.6Å; K5-A32 VanDerWaalsContact CA-O 3.32Å; K5-A32 WeakPolarHBondContact CA-O 3.42Å; K5-A32 HydrophobicContact CG-CB 4.28Å; K5-Y67 HydrophobicContact CB-CD1 3.86Å; K5-D68 PolarHBondContact N-OD2 3.33Å; K5-D68 WeakPolarHBondContact O-CA 3.15Å; K5-D68 WeakPolarHBondContact O-CB 3.42Å; K5-D68 PolarHBondContact O-N 2.75Å; K5-V69 PolarHBondContact O-N 3.41Å |
| 6 | A | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | M26 I31 A32 V33 T34 V69 | A6-M26 HydrophobicContact CB-CE 4.05Å; A6-M26 HydrophobicContact CB-SD 3.73Å; A6-I31 HydrophobicContact CB-CG2 3.76Å; A6-A32 PolarHBondContact N-O 3.03Å; A6-V33 HydrophobicContact CB-CG1 4.41Å; A6-V33 HydrophobicContact CB-CG2 4.16Å; A6-V33 WeakPolarHBondContact O-CA 3.48Å; A6-T34 PolarHBondContact O-N 3.06Å; A6-V69 WeakPolarHBondContact CA-O 3.31Å; A6-V69 HydrophobicContact CB-CG1 3.42Å; A6-V69 VanDerWaalsContact CB-CG1 3.42Å |
| 7 | L | 98.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.4 | 169.1 | 178.1 | 63.8 | 0 | 0 | 0 | 108.9 | I9 T34 A36 L58 A61 Y67 V69 V70 L71 V91 | L7-I9 HydrophobicContact CD2-CG1 4.4Å; L7-I9 HydrophobicContact CG-CG1 4.24Å; L7-T34 HydrophobicContact CD1-CG2 4.43Å; L7-A36 HydrophobicContact CD1-CB 3.55Å; L7-L58 HydrophobicContact CD2-CD1 4.15Å; L7-A61 HydrophobicContact CD1-CB 3.83Å; L7-Y67 HydrophobicContact CB-CD1 3.72Å; L7-Y67 HydrophobicContact CB-CD2 3.8Å; L7-Y67 HydrophobicContact CB-CE1 3.98Å; L7-Y67 HydrophobicContact CB-CE2 4.07Å; L7-Y67 HydrophobicContact CB-CG 3.62Å; L7-Y67 HydrophobicContact CD1-CE1 4.45Å; L7-Y67 HydrophobicContact CD1-CE2 4.29Å; L7-Y67 HydrophobicContact CD2-CD2 4.11Å; L7-Y67 HydrophobicContact CD2-CE2 4.07Å; L7-Y67 HydrophobicContact CG-CD2 4.46Å; L7-Y67 HydrophobicContact CG-CE2 4.38Å; L7-V69 PolarHBondContact N-O 3.41Å; L7-V70 HydrophobicContact CB-CG2 4.38Å; L7-V70 HydrophobicContact CD2-CG2 4.33Å; L7-V70 CarbonylContact O-C 3.53Å; L7-V70 WeakPolarHBondContact O-CA 3.44Å; L7-L71 PolarHBondContact O-N 2.93Å; L7-V91 HydrophobicContact CD2-CG1 3.9Å |
| 8 | V | 98.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.3 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | T19 V23 M26 V33 T34 L35 A36 L71 P73 | V8-T19 HydrophobicContact CG1-CG2 4.42Å; V8-V23 HydrophobicContact CB-CG2 4.2Å; V8-V23 HydrophobicContact CG1-CG2 4.13Å; V8-V23 HydrophobicContact CG2-CG2 3.82Å; V8-M26 HydrophobicContact CG2-CE 3.77Å; V8-V33 HydrophobicContact CG2-CG1 3.73Å; V8-T34 PolarHBondContact N-O 2.84Å; V8-L35 HydrophobicContact CB-CD1 3.96Å; V8-L35 HydrophobicContact CG1-CD1 3.76Å; V8-A36 PolarHBondContact O-N 2.91Å; V8-L71 HydrophobicContact CG1-CD2 3.94Å; V8-L71 HydrophobicContact CG2-CB 4.06Å; V8-P73 HydrophobicContact CG1-CG 3.99Å |
| 9 | I | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.2 | -176.2 | -47.7 | -177.3 | 0 | 0 | 0 | 109.7 | L7 L38 L58 V70 L71 L72 P73 L82 V88 V91 | L7-I9 HydrophobicContact CD2-CG1 4.4Å; L7-I9 HydrophobicContact CG-CG1 4.24Å; I9-L38 HydrophobicContact CG2-CB 4.34Å; I9-L38 HydrophobicContact CG2-CD1 4.16Å; I9-L58 HydrophobicContact CD1-CD1 4.05Å; I9-L58 HydrophobicContact CD1-CD2 4.46Å; I9-L58 HydrophobicContact CG1-CD1 4.14Å; I9-L58 HydrophobicContact CG2-CD1 4.38Å; I9-L58 HydrophobicContact CG2-CD2 4.1Å; I9-V70 HydrophobicContact CD1-CG1 4.09Å; I9-V70 HydrophobicContact CG1-CG1 4.44Å; I9-L71 PolarHBondContact N-O 3.42Å; I9-L71 VanDerWaalsContact N-O 3.13Å; I9-L72 HydrophobicContact CB-CD2 4.38Å; I9-L72 HydrophobicContact CD1-CD2 3.91Å; I9-L72 HydrophobicContact CG1-CD2 4.29Å; I9-P73 VanDerWaalsContact O-CD 3.29Å; I9-P73 WeakPolarHBondContact O-CD 3.45Å; I9-L82 HydrophobicContact CB-CD2 3.95Å; I9-L82 HydrophobicContact CG2-CD2 3.52Å; I9-V88 HydrophobicContact CD1-CG1 4.45Å; I9-V88 HydrophobicContact CD1-CG2 4.16Å; I9-V88 HydrophobicContact CG2-CG2 4.3Å; I9-V91 HydrophobicContact CD1-CG1 4.37Å |
| 10 | L | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.3 | -178.5 | 175.4 | 61.2 | 0 | 0 | 0 | 110.8 | A14 T19 L35 A36 L38 V44 L52 P54 | L10-A14 HydrophobicContact CD1-CB 4.03Å; L10-T19 HydrophobicContact CD1-CG2 4.17Å; L10-L35 HydrophobicContact CB-CD1 3.83Å; L10-L35 HydrophobicContact CB-CG 4.29Å; L10-L35 HydrophobicContact CD2-CD1 4.29Å; L10-L35 HydrophobicContact CD2-CD2 4.07Å; L10-L35 HydrophobicContact CD2-CG 4.11Å; L10-A36 PolarHBondContact N-O 3.46Å; L10-L38 WeakPolarHBondContact O-CB 3.17Å; L10-L38 PolarHBondContact O-N 3.21Å; L10-V44 HydrophobicContact CD1-CB 4.39Å; L10-V44 HydrophobicContact CD1-CG1 4.15Å; L10-V44 HydrophobicContact CD2-CB 3.84Å; L10-V44 HydrophobicContact CD2-CG1 4.45Å; L10-V44 HydrophobicContact CD2-CG2 3.92Å; L10-V44 HydrophobicContact CG-CB 3.88Å; L10-V44 HydrophobicContact CG-CG1 3.96Å; L10-V44 HydrophobicContact CG-CG2 3.97Å; L10-L52 HydrophobicContact CD1-CD1 4.29Å; L10-L52 HydrophobicContact CD2-CB 3.84Å; L10-P54 HydrophobicContact CD2-CB 4.4Å |
| 11 | S | 98.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | trans | -121.3 | 158 | 177 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | G13 A14 V44 G78 | S11-G13 PolarHBondContact O-N 3.44Å; S11-A14 WeakPolarHBondContact O-CB 3.32Å; S11-A14 PolarHBondContact O-N 3.03Å; S11-V44 VanDerWaalsContact C-CG1 3.43Å; S11-V44 WeakPolarHBondContact O-CG1 3.39Å; S11-G78 VanDerWaalsContact OG-C 3.27Å; S11-G78 WeakPolarHBondContact OG-CA 3.31Å; S11-G78 PolarHBondContact OG-O 3.02Å | ||
| 12 | K | 98.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 31.4 Ų | 31.4 | 50% | 0.504 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.2 | 174.5 | -179.7 | 175.9 | 179.9 | 173.8 | 0 | 110.1 | A14 V44 G78 N81 | K12-A14 VanDerWaalsContact C-N 3.28Å; K12-V44 HydrophobicContact CB-CG1 4.43Å; K12-G78 WeakPolarHBondContact O-CA 3.48Å; K12-N81 PolarHBondContact O-ND2 2.88Å |
| 13 | G | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 12.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S11 Q45 G78 | S11-G13 PolarHBondContact O-N 3.44Å; G13-Q45 PolarHBondContact N-O 2.7Å; G13-G78 PolarHBondContact O-N 3.21Å; G13-G78 VanDerWaalsContact O-N 3.15Å |
| 14 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | trans | -58.8 | 147.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L10 S11 K12 E16 C46 S47 P73 G74 | L10-A14 HydrophobicContact CD1-CB 4.03Å; S11-A14 WeakPolarHBondContact O-CB 3.32Å; S11-A14 PolarHBondContact O-N 3.03Å; K12-A14 VanDerWaalsContact C-N 3.28Å; A14-E16 PolarHBondContact O-N 2.88Å; A14-C46 CarbonylContact O-C 3.58Å; A14-C46 WeakPolarHBondContact O-CA 3.46Å; A14-C46 VanDerWaalsContact O-CB 3.27Å; A14-C46 WeakPolarHBondContact O-CB 3.33Å; A14-S47 PolarHBondContact O-N 2.95Å; A14-P73 HydrophobicContact CB-CB 4.47Å; A14-G74 WeakPolarHBondContact CA-O 3.47Å | ||
| 15 | E | 98.8 | Very high | 98.9 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | trans | -75.5 | 118.2 | 173.6 | -149.2 | -65.9 | 149.1 | 0 | 0 | 109.1 | M17 E18 T19 G74 P158 | E15-M17 WeakPolarHBondContact OE1-CE 3.42Å; E15-M17 VanDerWaalsContact OE2-CA 3.3Å; E15-M17 WeakPolarHBondContact OE2-CA 3.31Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.48Å; E15-M17 PolarHBondContact OE2-N 3.41Å; E15-E18 HydrophobicContact CB-CB 4.09Å; E15-E18 HydrophobicContact CB-CG 4.1Å; E15-E18 HydrophobicContact CG-CG 4.29Å; E15-E18 PolarHBondContact O-N 2.93Å; E15-E18 WeakPolarHBondContact OE2-CG 3.34Å; E15-E18 PolarHBondContact OE2-N 2.82Å; E15-T19 PolarHBondContact O-N 2.8Å; E15-T19 PolarHBondContact O-OG1 3.48Å; E15-G74 PolarHBondContact N-O 3.43Å; E15-P158 HydrophobicContact CG-CG 4.2Å | ||
| 16 | E | 98.9 | Very high | 98.9 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.047 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.1 | -34.5 | -171.4 | 44 | -96.5 | -99.8 | 0 | 0 | 113.6 | A14 T19 V20 C46 S47 R48 I50 | A14-E16 PolarHBondContact O-N 2.88Å; E16-T19 PolarHBondContact O-N 3.45Å; E16-V20 WeakPolarHBondContact O-CB 3.41Å; E16-V20 VanDerWaalsContact O-CG2 3.26Å; E16-V20 WeakPolarHBondContact O-CG2 3.39Å; E16-V20 PolarHBondContact O-N 2.81Å; E16-C46 HydrophobicContact CB-CB 3.79Å; E16-C46 HydrophobicContact CG-CB 4.33Å; E16-S47 PolarHBondContact OE2-N 3.06Å; E16-S47 VanDerWaalsContact OE2-N 3.11Å; E16-S47 PolarHBondContact OE2-OG 2.9Å; E16-R48 VanDerWaalsContact OE1-CA 3.26Å; E16-R48 WeakPolarHBondContact OE1-CA 3.35Å; E16-R48 WeakPolarHBondContact OE1-CB 3.3Å; E16-R48 PolarHBondContact OE1-N 3.48Å; E16-R48 PolarHBondContact OE2-N 3.43Å; E16-I50 HydrophobicContact CB-CB 4.35Å; E16-I50 HydrophobicContact CB-CD1 4.45Å; E16-I50 HydrophobicContact CB-CG2 4.45Å; E16-I50 HydrophobicContact CG-CB 4.34Å; E16-I50 HydrophobicContact CG-CD1 3.85Å |
| 17 | M | 98.9 | Very high | 98.9 | Very high | 95 Ų | 95 | 25.4 Ų | 25.4 | 47% | 0.468 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -69.8 | -44 | 176.9 | -59.8 | -176 | -84.1 | 0 | 0 | 110.4 | E15 T19 V20 I21 P158 | E15-M17 WeakPolarHBondContact OE1-CE 3.42Å; E15-M17 VanDerWaalsContact OE2-CA 3.3Å; E15-M17 WeakPolarHBondContact OE2-CA 3.31Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.48Å; E15-M17 PolarHBondContact OE2-N 3.41Å; M17-T19 PolarHBondContact O-N 3.47Å; M17-V20 PolarHBondContact O-N 3.41Å; M17-I21 HydrophobicContact CB-CD1 4.08Å; M17-I21 VanDerWaalsContact O-CB 3.25Å; M17-I21 WeakPolarHBondContact O-CB 3.42Å; M17-I21 VanDerWaalsContact O-CG1 3.29Å; M17-I21 WeakPolarHBondContact O-CG1 3.46Å; M17-I21 PolarHBondContact O-N 2.83Å; M17-P158 HydrophobicContact CB-CB 4.27Å; M17-P158 HydrophobicContact CE-CB 3.5Å; M17-P158 HydrophobicContact CE-CG 3.86Å; M17-P158 HydrophobicContact SD-CB 4.19Å |
| 18 | E | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -17.4 | 175.5 | -66.1 | 170.8 | -166.7 | 0 | 0 | 113 | E15 P22 G74 V105 C106 P158 | E15-E18 HydrophobicContact CB-CB 4.09Å; E15-E18 HydrophobicContact CB-CG 4.1Å; E15-E18 HydrophobicContact CG-CG 4.29Å; E15-E18 PolarHBondContact O-N 2.93Å; E15-E18 WeakPolarHBondContact OE2-CG 3.34Å; E15-E18 PolarHBondContact OE2-N 2.82Å; E18-P22 WeakPolarHBondContact O-CD 3.26Å; E18-P22 VanDerWaalsContact O-CG 3.24Å; E18-P22 WeakPolarHBondContact O-CG 3.39Å; E18-G74 WeakPolarHBondContact OE2-CA 3.3Å; E18-G74 PolarHBondContact OE2-N 2.8Å; E18-V105 HydrophobicContact CB-CG1 3.81Å; E18-V105 HydrophobicContact CG-CG1 4.1Å; E18-V105 HydrophobicContact CG-CG2 4.27Å; E18-C106 WeakPolarHBondContact OE1-CB 3.39Å; E18-C106 PolarHBondContact OE1-SG 2.89Å; E18-C106 WeakPolarHBondContact OE2-CB 3.31Å; E18-P158 HydrophobicContact CG-CG 4.19Å; E18-P158 WeakPolarHBondContact OE1-CD 3.4Å; E18-P158 WeakPolarHBondContact OE1-CG 3.36Å |
| 19 | T | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -88.9 | -54 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 111 | V8 L10 E15 E16 M17 V23 L35 L52 P73 | V8-T19 HydrophobicContact CG1-CG2 4.42Å; L10-T19 HydrophobicContact CD1-CG2 4.17Å; E15-T19 PolarHBondContact O-N 2.8Å; E15-T19 PolarHBondContact O-OG1 3.48Å; E16-T19 PolarHBondContact O-N 3.45Å; M17-T19 PolarHBondContact O-N 3.47Å; T19-V23 WeakPolarHBondContact O-CB 3.5Å; T19-V23 WeakPolarHBondContact O-CG2 3.39Å; T19-V23 PolarHBondContact O-N 3.38Å; T19-L35 HydrophobicContact CG2-CD1 3.88Å; T19-L52 HydrophobicContact CG2-CD1 3.87Å; T19-P73 HydrophobicContact CG2-CG 4.36Å; T19-P73 WeakPolarHBondContact OG1-CB 3.35Å |
| 20 | V | 98.9 | Very high | 98.8 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 42% | 0.418 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.4 | -42.2 | -170.8 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | E16 M17 V23 D24 L52 | E16-V20 WeakPolarHBondContact O-CB 3.41Å; E16-V20 VanDerWaalsContact O-CG2 3.26Å; E16-V20 WeakPolarHBondContact O-CG2 3.39Å; E16-V20 PolarHBondContact O-N 2.81Å; M17-V20 PolarHBondContact O-N 3.41Å; V20-V23 PolarHBondContact O-N 3.32Å; V20-D24 WeakPolarHBondContact O-CB 3.33Å; V20-D24 PolarHBondContact O-N 2.84Å; V20-L52 HydrophobicContact CG2-CD1 3.93Å; V20-L52 HydrophobicContact CG2-CD2 4Å |
| 21 | I | 98.9 | Very high | 98.8 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | -178 | -66.9 | 164.8 | 0 | 0 | 0 | 110.8 | M17 V23 D24 V25 F162 | M17-I21 HydrophobicContact CB-CD1 4.08Å; M17-I21 VanDerWaalsContact O-CB 3.25Å; M17-I21 WeakPolarHBondContact O-CB 3.42Å; M17-I21 VanDerWaalsContact O-CG1 3.29Å; M17-I21 WeakPolarHBondContact O-CG1 3.46Å; M17-I21 PolarHBondContact O-N 2.83Å; I21-V23 PolarHBondContact O-N 3.41Å; I21-D24 PolarHBondContact O-N 2.81Å; I21-V25 HydrophobicContact CG2-CG2 4.27Å; I21-V25 WeakPolarHBondContact O-CB 3.44Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.31Å; I21-V25 PolarHBondContact O-N 3.42Å; I21-F162 HydrophobicContact CD1-CD2 4.22Å; I21-F162 HydrophobicContact CD1-CE2 3.81Å; I21-F162 HydrophobicContact CD1-CZ 4.21Å; I21-F162 HydrophobicContact CG1-CE2 4.21Å; I21-F162 HydrophobicContact CG1-CZ 4.09Å; I21-F162 HydrophobicContact CG2-CB 4.5Å; I21-F162 HydrophobicContact CG2-CD1 3.61Å; I21-F162 HydrophobicContact CG2-CD2 4.12Å; I21-F162 HydrophobicContact CG2-CE1 3.73Å; I21-F162 HydrophobicContact CG2-CE2 4.22Å; I21-F162 HydrophobicContact CG2-CG 3.82Å; I21-F162 HydrophobicContact CG2-CZ 4.04Å |
| 22 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 177.5 | -24.4 | 37.2 | 0 | 0 | 0 | 113.7 | E18 M26 L71 F164 A165 | E18-P22 WeakPolarHBondContact O-CD 3.26Å; E18-P22 VanDerWaalsContact O-CG 3.24Å; E18-P22 WeakPolarHBondContact O-CG 3.39Å; P22-M26 HydrophobicContact CB-CE 4.23Å; P22-M26 VanDerWaalsContact O-CB 3.23Å; P22-M26 WeakPolarHBondContact O-CB 3.4Å; P22-M26 VanDerWaalsContact O-CE 3.31Å; P22-M26 WeakPolarHBondContact O-CE 3.16Å; P22-M26 WeakPolarHBondContact O-CG 3.44Å; P22-M26 PolarHBondContact O-N 2.87Å; P22-L71 HydrophobicContact CB-CD1 3.5Å; P22-L71 VanDerWaalsContact CB-CD1 3.5Å; P22-L71 HydrophobicContact CG-CD1 4.2Å; P22-F164 HydrophobicContact CG-CD1 4Å; P22-F164 HydrophobicContact CG-CE1 4.17Å; P22-A165 HydrophobicContact CB-CB 4.09Å; P22-A165 HydrophobicContact CG-CB 4.32Å |
| 23 | V | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 176.6 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | V8 T19 V20 I21 R27 V33 L35 | V8-V23 HydrophobicContact CB-CG2 4.2Å; V8-V23 HydrophobicContact CG1-CG2 4.13Å; V8-V23 HydrophobicContact CG2-CG2 3.82Å; T19-V23 WeakPolarHBondContact O-CB 3.5Å; T19-V23 WeakPolarHBondContact O-CG2 3.39Å; T19-V23 PolarHBondContact O-N 3.38Å; V20-V23 PolarHBondContact O-N 3.32Å; I21-V23 PolarHBondContact O-N 3.41Å; V23-R27 WeakPolarHBondContact O-CB 3.48Å; V23-R27 VanDerWaalsContact O-CG 3.26Å; V23-R27 WeakPolarHBondContact O-CG 3.15Å; V23-R27 PolarHBondContact O-N 2.74Å; V23-V33 HydrophobicContact CB-CG1 4.46Å; V23-V33 HydrophobicContact CG1-CG1 4.18Å; V23-V33 HydrophobicContact CG2-CG1 4.1Å; V23-L35 HydrophobicContact CG2-CD1 4.25Å |
| 24 | D | 98.9 | Very high | 98.8 | Very high | 66 Ų | 66 | 34 Ų | 34 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.2 | -51.3 | -179.7 | -177.9 | -70.5 | 0 | 0 | 0 | 111.1 | V20 I21 M26 R27 R28 | V20-D24 WeakPolarHBondContact O-CB 3.33Å; V20-D24 PolarHBondContact O-N 2.84Å; I21-D24 PolarHBondContact O-N 2.81Å; D24-M26 PolarHBondContact O-N 2.67Å; D24-R27 WeakPolarHBondContact O-CB 3.23Å; D24-R27 PolarHBondContact O-N 3Å; D24-R27 VanDerWaalsContact O-N 3.13Å; D24-R28 WeakPolarHBondContact O-CG 3.49Å; D24-R28 PolarHBondContact O-N 3.2Å; D24-R28 WeakPolarHBondContact OD1-CD 3.37Å; D24-R28 IonicContact OD1-CZ 3.57Å; D24-R28 IonicContact OD1-NE 2.68Å; D24-R28 PolarHBondContact OD1-NE 3.41Å; D24-R28 IonicContact OD1-NH2 3.58Å; D24-R28 IonicContact OD2-NH2 3.94Å |
| 25 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | -178 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | I21 R28 A29 F162 A165 L166 V169 V181 L185 | I21-V25 HydrophobicContact CG2-CG2 4.27Å; I21-V25 WeakPolarHBondContact O-CB 3.44Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.31Å; I21-V25 PolarHBondContact O-N 3.42Å; V25-R28 WeakPolarHBondContact O-CB 3.43Å; V25-R28 PolarHBondContact O-N 3.14Å; V25-A29 PolarHBondContact O-N 2.87Å; V25-A29 VanDerWaalsContact O-N 3.13Å; V25-F162 HydrophobicContact CG2-CD1 4.07Å; V25-F162 HydrophobicContact CG2-CE1 4.25Å; V25-A165 HydrophobicContact CB-CB 3.73Å; V25-A165 HydrophobicContact CG1-CB 3.69Å; V25-A165 HydrophobicContact CG2-CB 4.17Å; V25-L166 HydrophobicContact CG1-CD2 4.08Å; V25-L166 HydrophobicContact CG1-CG 4.38Å; V25-V169 HydrophobicContact CG1-CG2 4.06Å; V25-V181 HydrophobicContact CG1-CG1 3.98Å; V25-L185 HydrophobicContact CG2-CD1 4.07Å |
| 26 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.8 | -73.6 | -172.1 | -66.9 | 0 | 0 | 111.8 | A6 V8 P22 D24 A29 G30 I31 V33 V69 L71 I168 V169 | A6-M26 HydrophobicContact CB-CE 4.05Å; A6-M26 HydrophobicContact CB-SD 3.73Å; V8-M26 HydrophobicContact CG2-CE 3.77Å; P22-M26 HydrophobicContact CB-CE 4.23Å; P22-M26 VanDerWaalsContact O-CB 3.23Å; P22-M26 WeakPolarHBondContact O-CB 3.4Å; P22-M26 VanDerWaalsContact O-CE 3.31Å; P22-M26 WeakPolarHBondContact O-CE 3.16Å; P22-M26 WeakPolarHBondContact O-CG 3.44Å; P22-M26 PolarHBondContact O-N 2.87Å; D24-M26 PolarHBondContact O-N 2.67Å; M26-A29 WeakPolarHBondContact O-CB 3.43Å; M26-A29 PolarHBondContact O-N 3.13Å; M26-A29 VanDerWaalsContact O-N 3.14Å; M26-G30 PolarHBondContact O-N 2.88Å; M26-I31 HydrophobicContact CB-CB 4.18Å; M26-I31 HydrophobicContact CB-CD1 4.02Å; M26-I31 HydrophobicContact CG-CD1 4.02Å; M26-I31 VanDerWaalsContact O-CB 3.31Å; M26-I31 WeakPolarHBondContact O-CB 3.27Å; M26-I31 PolarHBondContact O-N 3.3Å; M26-V33 HydrophobicContact CB-CG2 3.54Å; M26-V33 HydrophobicContact CE-CG1 4.24Å; M26-V33 HydrophobicContact CE-CG2 4.17Å; M26-V69 HydrophobicContact SD-CG1 4.26Å; M26-L71 HydrophobicContact CE-CD1 3.85Å; M26-I168 HydrophobicContact CG-CG2 4.38Å; M26-I168 HydrophobicContact SD-CG2 3.84Å; M26-V169 HydrophobicContact CG-CG2 4.39Å |
| 27 | R | 98.8 | Very high | 98.8 | Very high | 115 Ų | 115 | 33.6 Ų | 33.6 | 43% | 0.434 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.6 | -76.2 | 173.6 | 174.2 | 171.1 | -2 | 111.7 | V23 D24 A29 G30 V33 D55 | V23-R27 WeakPolarHBondContact O-CB 3.48Å; V23-R27 VanDerWaalsContact O-CG 3.26Å; V23-R27 WeakPolarHBondContact O-CG 3.15Å; V23-R27 PolarHBondContact O-N 2.74Å; D24-R27 WeakPolarHBondContact O-CB 3.23Å; D24-R27 PolarHBondContact O-N 3Å; D24-R27 VanDerWaalsContact O-N 3.13Å; R27-A29 PolarHBondContact O-N 3.43Å; R27-G30 PolarHBondContact O-N 2.98Å; R27-V33 HydrophobicContact CG-CB 3.97Å; R27-V33 HydrophobicContact CG-CG2 3.73Å; R27-V33 PolarHBondContact NH2-O 2.68Å; R27-D55 IonicContact NH2-OD1 3.41Å; R27-D55 PolarHBondContact NH2-OD1 3.13Å; R27-D55 IonicContact NH2-OD2 2.9Å; R27-D55 PolarHBondContact NH2-OD2 3.32Å |
| 28 | R | 98.8 | Very high | 98.8 | Very high | 138 Ų | 138 | 30.5 Ų | 30.5 | 52% | 0.521 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.8 | -32.4 | 172.4 | -71.5 | 177.2 | -175.9 | -88.5 | -9 | 112.9 | D24 V25 G30 V181 | D24-R28 WeakPolarHBondContact O-CG 3.49Å; D24-R28 PolarHBondContact O-N 3.2Å; D24-R28 WeakPolarHBondContact OD1-CD 3.37Å; D24-R28 IonicContact OD1-CZ 3.57Å; D24-R28 IonicContact OD1-NE 2.68Å; D24-R28 PolarHBondContact OD1-NE 3.41Å; D24-R28 IonicContact OD1-NH2 3.58Å; D24-R28 IonicContact OD2-NH2 3.94Å; V25-R28 WeakPolarHBondContact O-CB 3.43Å; V25-R28 PolarHBondContact O-N 3.14Å; R28-G30 PolarHBondContact O-N 3.37Å; R28-V181 HydrophobicContact CB-CG1 3.91Å; R28-V181 HydrophobicContact CB-CG2 4.39Å |
| 29 | A | 98.5 | Very high | 98.8 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | V25 M26 R27 I31 V169 M173 V177 V181 | V25-A29 PolarHBondContact O-N 2.87Å; V25-A29 VanDerWaalsContact O-N 3.13Å; M26-A29 WeakPolarHBondContact O-CB 3.43Å; M26-A29 PolarHBondContact O-N 3.13Å; M26-A29 VanDerWaalsContact O-N 3.14Å; R27-A29 PolarHBondContact O-N 3.43Å; A29-I31 VanDerWaalsContact C-N 3.33Å; A29-I31 HydrophobicContact CB-CD1 4.24Å; A29-I31 HydrophobicContact CB-CG1 4.27Å; A29-V169 HydrophobicContact CB-CB 4.25Å; A29-V169 HydrophobicContact CB-CG1 3.53Å; A29-V169 HydrophobicContact CB-CG2 3.64Å; A29-M173 HydrophobicContact CB-CG 4.42Å; A29-V177 HydrophobicContact CB-CG1 4.11Å; A29-V181 HydrophobicContact CB-CG2 3.93Å |
| 30 | G | 98.2 | Very high | 98.7 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 60% | 0.598 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 13.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M26 R27 R28 | M26-G30 PolarHBondContact O-N 2.88Å; R27-G30 PolarHBondContact O-N 2.98Å; R28-G30 PolarHBondContact O-N 3.37Å |
| 31 | I | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -76.3 | 131.4 | 173.6 | -58.7 | 167.7 | 0 | 0 | 0 | 108.4 | K4 A6 M26 A29 V33 V169 L172 M173 | K4-I31 HydrophobicContact CB-CG1 4.24Å; K4-I31 HydrophobicContact CB-CG2 4.38Å; A6-I31 HydrophobicContact CB-CG2 3.76Å; M26-I31 HydrophobicContact CB-CB 4.18Å; M26-I31 HydrophobicContact CB-CD1 4.02Å; M26-I31 HydrophobicContact CG-CD1 4.02Å; M26-I31 VanDerWaalsContact O-CB 3.31Å; M26-I31 WeakPolarHBondContact O-CB 3.27Å; M26-I31 PolarHBondContact O-N 3.3Å; A29-I31 VanDerWaalsContact C-N 3.33Å; A29-I31 HydrophobicContact CB-CD1 4.24Å; A29-I31 HydrophobicContact CB-CG1 4.27Å; I31-V33 HydrophobicContact CB-CG2 4.5Å; I31-V33 HydrophobicContact CG2-CG2 4.28Å; I31-V33 PolarHBondContact O-N 3.44Å; I31-V169 HydrophobicContact CD1-CG2 4.23Å; I31-L172 HydrophobicContact CD1-CB 4.42Å; I31-L172 HydrophobicContact CD1-CD1 4.11Å; I31-M173 HydrophobicContact CD1-CG 4.02Å; I31-M173 HydrophobicContact CG1-CG 3.93Å; I31-M173 HydrophobicContact CG1-SD 4.02Å | ||
| 32 | A | 98.4 | Very high | 98.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 94.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K4 K5 A6 | K4-A32 PolarHBondContact O-N 3.32Å; K5-A32 CarbonylContact C-O 3.6Å; K5-A32 VanDerWaalsContact CA-O 3.32Å; K5-A32 WeakPolarHBondContact CA-O 3.42Å; K5-A32 HydrophobicContact CG-CB 4.28Å; A6-A32 PolarHBondContact N-O 3.03Å |
| 33 | V | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.4 | -178.3 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | A6 V8 V23 M26 R27 I31 | A6-V33 HydrophobicContact CB-CG1 4.41Å; A6-V33 HydrophobicContact CB-CG2 4.16Å; A6-V33 WeakPolarHBondContact O-CA 3.48Å; V8-V33 HydrophobicContact CG2-CG1 3.73Å; V23-V33 HydrophobicContact CB-CG1 4.46Å; V23-V33 HydrophobicContact CG1-CG1 4.18Å; V23-V33 HydrophobicContact CG2-CG1 4.1Å; M26-V33 HydrophobicContact CB-CG2 3.54Å; M26-V33 HydrophobicContact CE-CG1 4.24Å; M26-V33 HydrophobicContact CE-CG2 4.17Å; R27-V33 HydrophobicContact CG-CB 3.97Å; R27-V33 HydrophobicContact CG-CG2 3.73Å; R27-V33 PolarHBondContact NH2-O 2.68Å; I31-V33 HydrophobicContact CB-CG2 4.5Å; I31-V33 HydrophobicContact CG2-CG2 4.28Å; I31-V33 PolarHBondContact O-N 3.44Å |
| 34 | T | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113 | 167.4 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | A6 L7 V8 A36 A61 | A6-T34 PolarHBondContact O-N 3.06Å; L7-T34 HydrophobicContact CD1-CG2 4.43Å; V8-T34 PolarHBondContact N-O 2.84Å; T34-A36 PolarHBondContact O-N 2.83Å; T34-A61 HydrophobicContact CG2-CB 3.92Å |
| 35 | L | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 104.9 | 168.9 | -174.7 | 62.9 | 0 | 0 | 0 | 108.9 | V8 L10 T19 V23 P54 D55 S56 | V8-L35 HydrophobicContact CB-CD1 3.96Å; V8-L35 HydrophobicContact CG1-CD1 3.76Å; L10-L35 HydrophobicContact CB-CD1 3.83Å; L10-L35 HydrophobicContact CB-CG 4.29Å; L10-L35 HydrophobicContact CD2-CD1 4.29Å; L10-L35 HydrophobicContact CD2-CD2 4.07Å; L10-L35 HydrophobicContact CD2-CG 4.11Å; T19-L35 HydrophobicContact CG2-CD1 3.88Å; V23-L35 HydrophobicContact CG2-CD1 4.25Å; L35-P54 CarbonylContact O-C 3.59Å; L35-P54 WeakPolarHBondContact O-CB 3.31Å; L35-D55 WeakPolarHBondContact CB-OD2 3.3Å; L35-D55 PolarHBondContact N-OD2 3.46Å; L35-D55 PolarHBondContact O-N 3.12Å; L35-S56 PolarHBondContact O-N 2.98Å |
| 36 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L7 V8 L10 T34 L38 S56 L58 A61 | L7-A36 HydrophobicContact CD1-CB 3.55Å; V8-A36 PolarHBondContact O-N 2.91Å; L10-A36 PolarHBondContact N-O 3.46Å; T34-A36 PolarHBondContact O-N 2.83Å; A36-L38 PolarHBondContact O-N 2.78Å; A36-S56 CarbonylContact C-O 3.54Å; A36-S56 VanDerWaalsContact CA-O 3.31Å; A36-S56 WeakPolarHBondContact CA-O 3.45Å; A36-L58 HydrophobicContact CB-CB 4.46Å; A36-L58 HydrophobicContact CB-CD1 4.28Å; A36-A61 HydrophobicContact CB-CB 3.73Å |
| 37 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T39 G40 S56 L58 | G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 2.9Å; G37-G40 WeakPolarHBondContact CA-O 3.49Å; G37-G40 PolarHBondContact O-N 3.34Å; G37-S56 PolarHBondContact N-O 3.35Å; G37-L58 PolarHBondContact O-N 3.1Å |
| 38 | L | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -40.6 | -177.7 | 179.2 | 62.4 | 0 | 0 | 0 | 112.1 | I9 L10 A36 L58 N81 L82 V88 | I9-L38 HydrophobicContact CG2-CB 4.34Å; I9-L38 HydrophobicContact CG2-CD1 4.16Å; L10-L38 WeakPolarHBondContact O-CB 3.17Å; L10-L38 PolarHBondContact O-N 3.21Å; A36-L38 PolarHBondContact O-N 2.78Å; L38-L58 HydrophobicContact CD1-CD2 3.75Å; L38-N81 HydrophobicContact CD2-CB 3.94Å; L38-L82 HydrophobicContact CD2-CD2 4.32Å; L38-V88 HydrophobicContact CD1-CG2 3.58Å |
| 39 | T | 97.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 50.7 Ų | 50.7 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 0.4 | -173.6 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | G37 | G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 2.9Å |
| 40 | G | 98.1 | Very high | 98.6 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | 148.8 | -158 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G37 | G37-G40 WeakPolarHBondContact CA-O 3.49Å; G37-G40 PolarHBondContact O-N 3.34Å | ||
| 41 | K | 97.9 | Very high | 98.7 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -100 | -5.3 | -179.6 | -64.7 | 178.7 | -177.8 | 172.5 | 0 | 113.3 | D60 | K41-D60 WeakPolarHBondContact CE-OD2 3.36Å; K41-D60 IonicContact NZ-OD2 2.75Å; K41-D60 PolarHBondContact NZ-OD2 2.8Å |
| 42 | D | 98.5 | Very high | 98.7 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -69 | 154.8 | -178.3 | -61.9 | -33.5 | 0 | 0 | 0 | 111.5 | V44 P54 | D42-V44 PolarHBondContact O-N 3.25Å; D42-P54 WeakPolarHBondContact O-CD 3.38Å |
| 43 | P | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | trans | -54.6 | 134.8 | 172.9 | -23.7 | 33.2 | 0 | 0 | 0 | 111.9 | Y51 L52 V53 | P43-Y51 HydrophobicContact CB-CD1 4.12Å; P43-L52 WeakPolarHBondContact CA-O 3.09Å; P43-V53 HydrophobicContact CB-CG2 4.38Å; P43-V53 HydrophobicContact CG-CG2 4.24Å | ||
| 44 | V | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.7 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L10 S11 K12 D42 C46 Y51 L52 | L10-V44 HydrophobicContact CD1-CB 4.39Å; L10-V44 HydrophobicContact CD1-CG1 4.15Å; L10-V44 HydrophobicContact CD2-CB 3.84Å; L10-V44 HydrophobicContact CD2-CG1 4.45Å; L10-V44 HydrophobicContact CD2-CG2 3.92Å; L10-V44 HydrophobicContact CG-CB 3.88Å; L10-V44 HydrophobicContact CG-CG1 3.96Å; L10-V44 HydrophobicContact CG-CG2 3.97Å; S11-V44 VanDerWaalsContact C-CG1 3.43Å; S11-V44 WeakPolarHBondContact O-CG1 3.39Å; K12-V44 HydrophobicContact CB-CG1 4.43Å; D42-V44 PolarHBondContact O-N 3.25Å; V44-C46 PolarHBondContact O-N 3.44Å; V44-Y51 WeakPolarHBondContact O-CA 3.48Å; V44-L52 PolarHBondContact N-O 3Å; V44-L52 PolarHBondContact O-N 3.21Å |
| 45 | Q | 98.9 | Very high | 98.7 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.1 | 171.8 | -169.4 | 179.8 | 9.8 | 0 | 0 | 110.1 | G13 D49 Y51 | G13-Q45 PolarHBondContact N-O 2.7Å; Q45-D49 PolarHBondContact NE2-OD1 2.82Å; Q45-Y51 HydrophobicContact CB-CD1 4.12Å; Q45-Y51 HydrophobicContact CB-CE1 3.61Å; Q45-Y51 HydrophobicContact CB-CE2 4.32Å; Q45-Y51 HydrophobicContact CG-CE1 4.11Å; Q45-Y51 HydrophobicContact CG-CE2 3.92Å; Q45-Y51 PolarHBondContact OE1-OH 3.27Å |
| 46 | C | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | trans | -79.5 | -177.5 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 112 | A14 E16 V44 R48 D49 I50 | A14-C46 CarbonylContact O-C 3.58Å; A14-C46 WeakPolarHBondContact O-CA 3.46Å; A14-C46 VanDerWaalsContact O-CB 3.27Å; A14-C46 WeakPolarHBondContact O-CB 3.33Å; E16-C46 HydrophobicContact CB-CB 3.79Å; E16-C46 HydrophobicContact CG-CB 4.33Å; V44-C46 PolarHBondContact O-N 3.44Å; C46-R48 PolarHBondContact O-N 3.46Å; C46-D49 PolarHBondContact O-N 2.79Å; C46-I50 VanDerWaalsContact CB-O 3.23Å; C46-I50 WeakPolarHBondContact CB-O 3.33Å; C46-I50 PolarHBondContact N-O 3.13Å | ||
| 47 | S | 98.6 | Very high | 98.6 | Very high | 35 Ų | 35 | 65 Ų | 65 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24.9 | -168.9 | 76.7 | 0 | 0 | 0 | 0 | 115 | A14 E16 | A14-S47 PolarHBondContact O-N 2.95Å; E16-S47 PolarHBondContact OE2-N 3.06Å; E16-S47 VanDerWaalsContact OE2-N 3.11Å; E16-S47 PolarHBondContact OE2-OG 2.9Å |
| 48 | R | 98.8 | Very high | 98.6 | Very high | 176 Ų | 176 | 65.1 Ų | 65.1 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 37.4 | 175.3 | -81.4 | 71.5 | -170.2 | 156.9 | 5.5 | 110.8 | E16 C46 I50 | E16-R48 VanDerWaalsContact OE1-CA 3.26Å; E16-R48 WeakPolarHBondContact OE1-CA 3.35Å; E16-R48 WeakPolarHBondContact OE1-CB 3.3Å; E16-R48 PolarHBondContact OE1-N 3.48Å; E16-R48 PolarHBondContact OE2-N 3.43Å; C46-R48 PolarHBondContact O-N 3.46Å; R48-I50 PolarHBondContact O-N 3.43Å; R48-I50 VanDerWaalsContact O-N 3.1Å |
| 49 | D | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 68.9 Ų | 68.9 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 63.8 | 12.4 | 172.7 | -58.3 | -49 | 0 | 0 | 0 | 115.6 | Q45 C46 Y51 | Q45-D49 PolarHBondContact NE2-OD1 2.82Å; C46-D49 PolarHBondContact O-N 2.79Å; D49-Y51 WeakPolarHBondContact O-CD2 3.49Å |
| 50 | I | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 65 Ų | 65 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | trans | -72 | 134 | 166.8 | -71.5 | 167.1 | 0 | 0 | 0 | 109.1 | E16 C46 R48 L52 | E16-I50 HydrophobicContact CB-CB 4.35Å; E16-I50 HydrophobicContact CB-CD1 4.45Å; E16-I50 HydrophobicContact CB-CG2 4.45Å; E16-I50 HydrophobicContact CG-CB 4.34Å; E16-I50 HydrophobicContact CG-CD1 3.85Å; C46-I50 VanDerWaalsContact CB-O 3.23Å; C46-I50 WeakPolarHBondContact CB-O 3.33Å; C46-I50 PolarHBondContact N-O 3.13Å; R48-I50 PolarHBondContact O-N 3.43Å; R48-I50 VanDerWaalsContact O-N 3.1Å; I50-L52 HydrophobicContact CG2-CD2 4.03Å; I50-L52 HydrophobicContact CG2-CG 4.37Å | ||
| 51 | Y | 98.8 | Very high | 98.6 | Very high | 137 Ų | 137 | 64.1 Ų | 64.1 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.9 | 173.5 | -76 | -99.4 | 0 | 0 | 0 | 110.4 | P43 V44 Q45 D49 | P43-Y51 HydrophobicContact CB-CD1 4.12Å; V44-Y51 WeakPolarHBondContact O-CA 3.48Å; Q45-Y51 HydrophobicContact CB-CD1 4.12Å; Q45-Y51 HydrophobicContact CB-CE1 3.61Å; Q45-Y51 HydrophobicContact CB-CE2 4.32Å; Q45-Y51 HydrophobicContact CG-CE1 4.11Å; Q45-Y51 HydrophobicContact CG-CE2 3.92Å; Q45-Y51 PolarHBondContact OE1-OH 3.27Å; D49-Y51 WeakPolarHBondContact O-CD2 3.49Å |
| 52 | L | 98.9 | Very high | 98.5 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.9 | 172.7 | -61.6 | -178.7 | 0 | 0 | 0 | 109.7 | L10 T19 V20 P43 V44 I50 | L10-L52 HydrophobicContact CD1-CD1 4.29Å; L10-L52 HydrophobicContact CD2-CB 3.84Å; T19-L52 HydrophobicContact CG2-CD1 3.87Å; V20-L52 HydrophobicContact CG2-CD1 3.93Å; V20-L52 HydrophobicContact CG2-CD2 4Å; P43-L52 WeakPolarHBondContact CA-O 3.09Å; V44-L52 PolarHBondContact N-O 3Å; V44-L52 PolarHBondContact O-N 3.21Å; I50-L52 HydrophobicContact CG2-CD2 4.03Å; I50-L52 HydrophobicContact CG2-CG 4.37Å |
| 53 | V | 98.8 | Very high | 98.4 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 61% | 0.606 | 31% | 0.311 | S | S | * | . | trans | -92.3 | 118.8 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | P43 | P43-V53 HydrophobicContact CB-CG2 4.38Å; P43-V53 HydrophobicContact CG-CG2 4.24Å | ||
| 54 | P | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | trans | -70.9 | 151.9 | 176.6 | 30.6 | -34.7 | 0 | 0 | 0 | 111.3 | L10 L35 D42 S56 | L10-P54 HydrophobicContact CD2-CB 4.4Å; L35-P54 CarbonylContact O-C 3.59Å; L35-P54 WeakPolarHBondContact O-CB 3.31Å; D42-P54 WeakPolarHBondContact O-CD 3.38Å; P54-S56 VanDerWaalsContact C-N 3.27Å; P54-S56 PolarHBondContact O-N 3.29Å | ||
| 55 | D | 98.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -69.5 | -29.3 | 174.5 | -56.3 | -44 | 0 | 0 | 0 | 111.3 | R27 L35 | R27-D55 IonicContact NH2-OD1 3.41Å; R27-D55 PolarHBondContact NH2-OD1 3.13Å; R27-D55 IonicContact NH2-OD2 2.9Å; R27-D55 PolarHBondContact NH2-OD2 3.32Å; L35-D55 WeakPolarHBondContact CB-OD2 3.3Å; L35-D55 PolarHBondContact N-OD2 3.46Å; L35-D55 PolarHBondContact O-N 3.12Å |
| 56 | S | 98.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.4 | -172.6 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L35 A36 G37 P54 A61 | L35-S56 PolarHBondContact O-N 2.98Å; A36-S56 CarbonylContact C-O 3.54Å; A36-S56 VanDerWaalsContact CA-O 3.31Å; A36-S56 WeakPolarHBondContact CA-O 3.45Å; G37-S56 PolarHBondContact N-O 3.35Å; P54-S56 VanDerWaalsContact C-N 3.27Å; P54-S56 PolarHBondContact O-N 3.29Å; S56-A61 PolarHBondContact OG-N 2.95Å |
| 57 | S | 98.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 156.9 | 159.7 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | E59 D60 A61 | S57-E59 PolarHBondContact O-N 3.39Å; S57-D60 PolarHBondContact O-N 3.44Å; S57-D60 PolarHBondContact OG-N 3.27Å; S57-A61 VanDerWaalsContact O-CB 3.3Å; S57-A61 WeakPolarHBondContact O-CB 3.34Å; S57-A61 PolarHBondContact O-N 3.46Å |
| 58 | L | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 171.5 | -177.8 | 61.4 | 0 | 0 | 0 | 112 | L7 I9 A36 G37 L38 D60 A61 R62 A87 V88 V91 | L7-L58 HydrophobicContact CD2-CD1 4.15Å; I9-L58 HydrophobicContact CD1-CD1 4.05Å; I9-L58 HydrophobicContact CD1-CD2 4.46Å; I9-L58 HydrophobicContact CG1-CD1 4.14Å; I9-L58 HydrophobicContact CG2-CD1 4.38Å; I9-L58 HydrophobicContact CG2-CD2 4.1Å; A36-L58 HydrophobicContact CB-CB 4.46Å; A36-L58 HydrophobicContact CB-CD1 4.28Å; G37-L58 PolarHBondContact O-N 3.1Å; L38-L58 HydrophobicContact CD1-CD2 3.75Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.23Å; L58-A61 PolarHBondContact O-N 3.29Å; L58-R62 WeakPolarHBondContact O-CG 3.38Å; L58-R62 PolarHBondContact O-N 3.4Å; L58-A87 HydrophobicContact CD2-CB 4.03Å; L58-V88 HydrophobicContact CD2-CG2 4.1Å; L58-V91 HydrophobicContact CD1-CG2 4.37Å |
| 59 | E | 98.2 | Very high | 97.6 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.7 | -162.8 | -149.7 | 131.3 | 0 | 0 | 112.6 | S57 R62 K63 | S57-E59 PolarHBondContact O-N 3.39Å; E59-R62 VanDerWaalsContact O-CG 3.31Å; E59-R62 WeakPolarHBondContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CE 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 IonicContact OE1-NZ 2.88Å; E59-K63 PolarHBondContact OE1-NZ 3.04Å |
| 60 | D | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 55 Ų | 55 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -80.1 | -38.6 | 176.8 | -73.3 | -19 | 0 | 0 | 0 | 111.6 | K41 S57 L58 R62 K63 | K41-D60 WeakPolarHBondContact CE-OD2 3.36Å; K41-D60 IonicContact NZ-OD2 2.75Å; K41-D60 PolarHBondContact NZ-OD2 2.8Å; S57-D60 PolarHBondContact O-N 3.44Å; S57-D60 PolarHBondContact OG-N 3.27Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.23Å; D60-R62 PolarHBondContact O-N 3.3Å; D60-K63 WeakPolarHBondContact O-CB 3.14Å; D60-K63 PolarHBondContact O-N 3.34Å; D60-K63 IonicContact OD1-NZ 3.03Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å |
| 61 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L7 T34 A36 S56 S57 L58 K63 Q64 Y67 | L7-A61 HydrophobicContact CD1-CB 3.83Å; T34-A61 HydrophobicContact CG2-CB 3.92Å; A36-A61 HydrophobicContact CB-CB 3.73Å; S56-A61 PolarHBondContact OG-N 2.95Å; S57-A61 VanDerWaalsContact O-CB 3.3Å; S57-A61 WeakPolarHBondContact O-CB 3.34Å; S57-A61 PolarHBondContact O-N 3.46Å; L58-A61 PolarHBondContact O-N 3.29Å; A61-K63 PolarHBondContact O-N 3.46Å; A61-Q64 PolarHBondContact O-N 2.98Å; A61-Y67 WeakPolarHBondContact O-CE2 3.26Å; A61-Y67 PolarHBondContact O-OH 2.99Å |
| 62 | R | 95.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -63.2 | -24.5 | 179.5 | 69.4 | -179.9 | -176.7 | 165.3 | 2.2 | 113.5 | L58 E59 D60 Q64 E90 V91 | L58-R62 WeakPolarHBondContact O-CG 3.38Å; L58-R62 PolarHBondContact O-N 3.4Å; E59-R62 VanDerWaalsContact O-CG 3.31Å; E59-R62 WeakPolarHBondContact O-CG 3.32Å; D60-R62 PolarHBondContact O-N 3.3Å; R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 PolarHBondContact O-N 3.46Å; R62-E90 IonicContact CZ-OE2 3.97Å; R62-E90 IonicContact NH1-OE2 2.74Å; R62-E90 PolarHBondContact NH1-OE2 3.22Å; R62-V91 HydrophobicContact CB-CG2 4.25Å |
| 63 | K | 96.1 | Very high | 97.6 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -73.5 | -17.9 | 176.4 | -58.8 | 165.9 | -169.1 | 157.5 | 0 | 112.4 | E59 D60 A61 | E59-K63 WeakPolarHBondContact O-CE 3.5Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 IonicContact OE1-NZ 2.88Å; E59-K63 PolarHBondContact OE1-NZ 3.04Å; D60-K63 WeakPolarHBondContact O-CB 3.14Å; D60-K63 PolarHBondContact O-N 3.34Å; D60-K63 IonicContact OD1-NZ 3.03Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å; A61-K63 PolarHBondContact O-N 3.46Å |
| 64 | Q | 93.8 | Very high | 97.6 | Very high | 109 Ų | 109 | 38.3 Ų | 38.3 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -97.7 | 0.4 | -176.8 | -56.7 | 178.8 | 34.1 | 0 | 0 | 113.6 | A61 R62 | A61-Q64 PolarHBondContact O-N 2.98Å; R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 PolarHBondContact O-N 3.46Å |
| 65 | G | 89.9 | Confident | 97.6 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | trans | -65.1 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 66 | P | 95.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | cis | -71.7 | 152.5 | 1.9 | 26.4 | -33 | 0 | 0 | 0 | 113.7 | R98 | P66-R98 VanDerWaalsContact CB-NH1 3.31Š| ||
| 67 | Y | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | trans | -99.9 | 147.7 | 169.1 | -62.9 | -90.8 | 0 | 0 | 0 | 111.1 | K5 L7 A61 V69 Q95 R98 | K5-Y67 HydrophobicContact CB-CD1 3.86Å; L7-Y67 HydrophobicContact CB-CD1 3.72Å; L7-Y67 HydrophobicContact CB-CD2 3.8Å; L7-Y67 HydrophobicContact CB-CE1 3.98Å; L7-Y67 HydrophobicContact CB-CE2 4.07Å; L7-Y67 HydrophobicContact CB-CG 3.62Å; L7-Y67 HydrophobicContact CD1-CE1 4.45Å; L7-Y67 HydrophobicContact CD1-CE2 4.29Å; L7-Y67 HydrophobicContact CD2-CD2 4.11Å; L7-Y67 HydrophobicContact CD2-CE2 4.07Å; L7-Y67 HydrophobicContact CG-CD2 4.46Å; L7-Y67 HydrophobicContact CG-CE2 4.38Å; A61-Y67 WeakPolarHBondContact O-CE2 3.26Å; A61-Y67 PolarHBondContact O-OH 2.99Å; Y67-V69 VanDerWaalsContact C-N 3.34Å; Y67-Q95 PolarHBondContact O-NE2 3.38Å; Y67-R98 VanDerWaalsContact O-CZ 3.25Å; Y67-R98 PolarHBondContact O-NH1 2.88Å; Y67-R98 PolarHBondContact O-NH2 2.83Å | ||
| 68 | D | 98.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -73.4 | -30.2 | 174.9 | -63.6 | -92.7 | 0 | 0 | 0 | 111.6 | K4 K5 Q95 L101 L172 | K4-D68 VanDerWaalsContact CA-OD2 3.31Å; K4-D68 WeakPolarHBondContact CA-OD2 3.33Å; K4-D68 HydrophobicContact CD-CB 4.02Å; K4-D68 WeakPolarHBondContact CD-OD1 3.26Å; K4-D68 WeakPolarHBondContact CD-OD2 3.17Å; K4-D68 IonicContact NZ-OD1 2.88Å; K4-D68 PolarHBondContact NZ-OD1 2.84Å; K5-D68 PolarHBondContact N-OD2 3.33Å; K5-D68 WeakPolarHBondContact O-CA 3.15Å; K5-D68 WeakPolarHBondContact O-CB 3.42Å; K5-D68 PolarHBondContact O-N 2.75Å; D68-Q95 PolarHBondContact O-NE2 3.23Å; D68-L101 WeakPolarHBondContact O-CB 3.42Å; D68-L101 PolarHBondContact O-N 3.48Å; D68-L172 HydrophobicContact CB-CD1 4.21Å; D68-L172 HydrophobicContact CB-CD2 3.91Å |
| 69 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.4 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | K5 A6 L7 M26 Y67 L101 A103 I168 L172 | K5-V69 PolarHBondContact O-N 3.41Å; A6-V69 WeakPolarHBondContact CA-O 3.31Å; A6-V69 HydrophobicContact CB-CG1 3.42Å; A6-V69 VanDerWaalsContact CB-CG1 3.42Å; L7-V69 PolarHBondContact N-O 3.41Å; M26-V69 HydrophobicContact SD-CG1 4.26Å; Y67-V69 VanDerWaalsContact C-N 3.34Å; V69-L101 VanDerWaalsContact CA-O 3.31Å; V69-L101 WeakPolarHBondContact CA-O 3.24Å; V69-L101 HydrophobicContact CB-CB 4.06Å; V69-L101 HydrophobicContact CB-CD2 4.05Å; V69-L101 HydrophobicContact CB-CG 4.29Å; V69-L101 HydrophobicContact CG2-CB 4.05Å; V69-L101 HydrophobicContact CG2-CD2 3.81Å; V69-L101 HydrophobicContact CG2-CG 3.84Å; V69-A103 HydrophobicContact CG2-CB 3.92Å; V69-I168 HydrophobicContact CG1-CG2 4.14Å; V69-I168 HydrophobicContact CG2-CG2 4.28Å; V69-L172 HydrophobicContact CB-CD1 4.02Å; V69-L172 HydrophobicContact CG1-CD1 3.67Å |
| 70 | V | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.7 | 164.7 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L7 I9 L72 V91 L92 Q95 L101 A103 | L7-V70 HydrophobicContact CB-CG2 4.38Å; L7-V70 HydrophobicContact CD2-CG2 4.33Å; L7-V70 CarbonylContact O-C 3.53Å; L7-V70 WeakPolarHBondContact O-CA 3.44Å; I9-V70 HydrophobicContact CD1-CG1 4.09Å; I9-V70 HydrophobicContact CG1-CG1 4.44Å; V70-L72 HydrophobicContact CG1-CD2 4.43Å; V70-V91 HydrophobicContact CG1-CG1 4.03Å; V70-V91 HydrophobicContact CG2-CG1 3.95Å; V70-L92 HydrophobicContact CG1-CD2 4.03Å; V70-Q95 HydrophobicContact CB-CG 4.35Å; V70-Q95 HydrophobicContact CG2-CB 4.24Å; V70-Q95 HydrophobicContact CG2-CG 3.92Å; V70-L101 PolarHBondContact N-O 3.4Å; V70-A103 PolarHBondContact O-N 3.04Å |
| 71 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.3 | -177.6 | -168 | 155.8 | 0 | 0 | 0 | 111.3 | L7 V8 I9 P22 M26 P73 A103 F164 I168 | L7-L71 PolarHBondContact O-N 2.93Å; V8-L71 HydrophobicContact CG1-CD2 3.94Å; V8-L71 HydrophobicContact CG2-CB 4.06Å; I9-L71 PolarHBondContact N-O 3.42Å; I9-L71 VanDerWaalsContact N-O 3.13Å; P22-L71 HydrophobicContact CB-CD1 3.5Å; P22-L71 VanDerWaalsContact CB-CD1 3.5Å; P22-L71 HydrophobicContact CG-CD1 4.2Å; M26-L71 HydrophobicContact CE-CD1 3.85Å; L71-P73 HydrophobicContact CD2-CG 3.91Å; L71-A103 CarbonylContact C-O 3.56Å; L71-A103 VanDerWaalsContact CA-O 3.25Å; L71-A103 WeakPolarHBondContact CA-O 3.21Å; L71-A103 HydrophobicContact CG-CB 4.4Å; L71-F164 HydrophobicContact CD1-CE1 3.86Å; L71-F164 HydrophobicContact CD1-CZ 4.25Å; L71-F164 HydrophobicContact CD2-CE1 4.44Å; L71-F164 HydrophobicContact CG-CE1 4.14Å; L71-F164 HydrophobicContact CG-CZ 4.25Å; L71-I168 HydrophobicContact CD1-CD1 3.72Å |
| 72 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 105 | 174.5 | -53.1 | -178.3 | 0 | 0 | 0 | 109.9 | I9 V70 L82 V88 L92 A103 A104 V105 A111 L112 | I9-L72 HydrophobicContact CB-CD2 4.38Å; I9-L72 HydrophobicContact CD1-CD2 3.91Å; I9-L72 HydrophobicContact CG1-CD2 4.29Å; V70-L72 HydrophobicContact CG1-CD2 4.43Å; L72-L82 HydrophobicContact CB-CD1 4.14Å; L72-L82 HydrophobicContact CD2-CD1 4.26Å; L72-V88 HydrophobicContact CD2-CG1 4.43Å; L72-L92 HydrophobicContact CD1-CD1 3.99Å; L72-L92 HydrophobicContact CD1-CD2 4.12Å; L72-L92 HydrophobicContact CD2-CD2 4.44Å; L72-L92 HydrophobicContact CG-CD2 4.49Å; L72-A103 PolarHBondContact N-O 3.17Å; L72-A104 HydrophobicContact CB-CB 4.01Å; L72-A104 HydrophobicContact CD1-CB 4.48Å; L72-A104 WeakPolarHBondContact O-CA 3.29Å; L72-V105 PolarHBondContact O-N 3.2Å; L72-A111 HydrophobicContact CD1-CB 3.99Å; L72-L112 HydrophobicContact CD1-CD2 3.97Å |
| 73 | P | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -61.4 | 160.2 | 170.1 | -19.1 | 32.9 | 0 | 0 | 0 | 111 | V8 I9 A14 T19 L71 | V8-P73 HydrophobicContact CG1-CG 3.99Å; I9-P73 VanDerWaalsContact O-CD 3.29Å; I9-P73 WeakPolarHBondContact O-CD 3.45Å; A14-P73 HydrophobicContact CB-CB 4.47Å; T19-P73 HydrophobicContact CG2-CG 4.36Å; T19-P73 WeakPolarHBondContact OG1-CB 3.35Å; L71-P73 HydrophobicContact CD2-CG 3.91Å | ||
| 74 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -88.7 | -138.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A14 E15 E18 V105 | A14-G74 WeakPolarHBondContact CA-O 3.47Å; E15-G74 PolarHBondContact N-O 3.43Å; E18-G74 WeakPolarHBondContact OE2-CA 3.3Å; E18-G74 PolarHBondContact OE2-N 2.8Å; G74-V105 WeakPolarHBondContact CA-O 3.42Å; G74-V105 PolarHBondContact N-O 3.16Å | ||
| 75 | G | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | trans | 78.7 | 129.8 | -161.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L77 G78 A79 | G75-L77 PolarHBondContact O-N 3.31Å; G75-G78 PolarHBondContact O-N 3.32Å; G75-A79 VanDerWaalsContact O-CB 3.25Å; G75-A79 WeakPolarHBondContact O-CB 3.23Å; G75-A79 PolarHBondContact O-N 2.97Å | ||
| 76 | A | 98.3 | Very high | 98.6 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 68% | 0.678 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.9 | -47.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q80 | A76-Q80 WeakPolarHBondContact O-CB 3.27Å; A76-Q80 PolarHBondContact O-N 3.47Å |
| 77 | L | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 30.5 Ų | 30.5 | 43% | 0.429 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 177.2 | -179.8 | 62 | 0 | 0 | 0 | 111.8 | G75 A79 Q80 N81 | G75-L77 PolarHBondContact O-N 3.31Å; L77-A79 PolarHBondContact O-N 2.81Å; L77-Q80 WeakPolarHBondContact O-CB 3.39Å; L77-Q80 PolarHBondContact O-N 3.25Å; L77-N81 PolarHBondContact O-N 2.98Å; L77-N81 PolarHBondContact O-ND2 3.43Å |
| 78 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S11 K12 G13 G75 Q80 N81 L82 | S11-G78 VanDerWaalsContact OG-C 3.27Å; S11-G78 WeakPolarHBondContact OG-CA 3.31Å; S11-G78 PolarHBondContact OG-O 3.02Å; K12-G78 WeakPolarHBondContact O-CA 3.48Å; G13-G78 PolarHBondContact O-N 3.21Å; G13-G78 VanDerWaalsContact O-N 3.15Å; G75-G78 PolarHBondContact O-N 3.32Å; G78-Q80 PolarHBondContact O-N 3.41Å; G78-N81 PolarHBondContact O-N 2.92Å; G78-L82 WeakPolarHBondContact O-CG 3.17Å; G78-L82 PolarHBondContact O-N 3.1Å; G78-L82 VanDerWaalsContact O-N 3.07Å |
| 79 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G75 L77 L82 S83 A107 | G75-A79 VanDerWaalsContact O-CB 3.25Å; G75-A79 WeakPolarHBondContact O-CB 3.23Å; G75-A79 PolarHBondContact O-N 2.97Å; L77-A79 PolarHBondContact O-N 2.81Å; A79-L82 WeakPolarHBondContact O-CB 3.37Å; A79-L82 PolarHBondContact O-N 3.07Å; A79-S83 PolarHBondContact O-N 2.8Å; A79-S83 PolarHBondContact O-OG 3.29Å; A79-S83 VanDerWaalsContact O-OG 3.13Å; A79-A107 HydrophobicContact CB-CB 3.73Å; A79-A107 WeakPolarHBondContact CB-O 3.25Å |
| 80 | Q | 98.9 | Very high | 98.7 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -48 | 173.6 | 178.8 | 178.3 | -1.1 | 0 | 0 | 111.8 | A76 L77 G78 L82 S83 E84 | A76-Q80 WeakPolarHBondContact O-CB 3.27Å; A76-Q80 PolarHBondContact O-N 3.47Å; L77-Q80 WeakPolarHBondContact O-CB 3.39Å; L77-Q80 PolarHBondContact O-N 3.25Å; G78-Q80 PolarHBondContact O-N 3.41Å; Q80-L82 PolarHBondContact O-N 3.31Å; Q80-S83 WeakPolarHBondContact O-CB 3.42Å; Q80-S83 PolarHBondContact O-N 2.84Å; Q80-S83 VanDerWaalsContact O-N 3.08Å; Q80-E84 HydrophobicContact CG-CG 4.47Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E84 PolarHBondContact NE2-OE1 3.25Å; Q80-E84 WeakPolarHBondContact O-CG 3.29Å; Q80-E84 PolarHBondContact O-N 3.44Å |
| 81 | N | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 177.4 | -70.2 | -35.1 | 0 | 0 | 0 | 111.9 | K12 L38 L77 G78 S85 | K12-N81 PolarHBondContact O-ND2 2.88Å; L38-N81 HydrophobicContact CD2-CB 3.94Å; L77-N81 PolarHBondContact O-N 2.98Å; L77-N81 PolarHBondContact O-ND2 3.43Å; G78-N81 PolarHBondContact O-N 2.92Å; N81-S85 PolarHBondContact O-N 3.34Å |
| 82 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -41.9 | 173.4 | -64.8 | 171 | 0 | 0 | 0 | 112 | I9 L38 L72 G78 A79 Q80 E84 S85 V88 A111 H115 | I9-L82 HydrophobicContact CB-CD2 3.95Å; I9-L82 HydrophobicContact CG2-CD2 3.52Å; L38-L82 HydrophobicContact CD2-CD2 4.32Å; L72-L82 HydrophobicContact CB-CD1 4.14Å; L72-L82 HydrophobicContact CD2-CD1 4.26Å; G78-L82 WeakPolarHBondContact O-CG 3.17Å; G78-L82 PolarHBondContact O-N 3.1Å; G78-L82 VanDerWaalsContact O-N 3.07Å; A79-L82 WeakPolarHBondContact O-CB 3.37Å; A79-L82 PolarHBondContact O-N 3.07Å; Q80-L82 PolarHBondContact O-N 3.31Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 2.93Å; L82-S85 PolarHBondContact O-N 3.31Å; L82-V88 HydrophobicContact CD2-CG2 3.87Å; L82-A111 HydrophobicContact CB-CB 3.99Å; L82-H115 PolarHBondContact O-NE2 3.41Å |
| 83 | S | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 43 Ų | 43 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -34.8 | 176 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | A79 Q80 T110 A111 H115 | A79-S83 PolarHBondContact O-N 2.8Å; A79-S83 PolarHBondContact O-OG 3.29Å; A79-S83 VanDerWaalsContact O-OG 3.13Å; Q80-S83 WeakPolarHBondContact O-CB 3.42Å; Q80-S83 PolarHBondContact O-N 2.84Å; Q80-S83 VanDerWaalsContact O-N 3.08Å; S83-T110 PolarHBondContact OG-O 3.32Å; S83-A111 WeakPolarHBondContact OG-CA 3.32Å; S83-H115 PolarHBondContact O-CE1 3.19Å; S83-H115 PolarHBondContact O-NE2 2.67Å |
| 84 | E | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 58% | 0.575 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -85.9 | -11.6 | -176.1 | -70.1 | 172.2 | -171.8 | 0 | 0 | 113.2 | Q80 L82 P86 | Q80-E84 HydrophobicContact CG-CG 4.47Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E84 PolarHBondContact NE2-OE1 3.25Å; Q80-E84 WeakPolarHBondContact O-CG 3.29Å; Q80-E84 PolarHBondContact O-N 3.44Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 2.93Å; E84-P86 WeakPolarHBondContact O-CD 3.14Å |
| 85 | S | 98.8 | Very high | 98.7 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | trans | -84.7 | 120.4 | -173.6 | 178.5 | 0 | 0 | 0 | 0 | 113.5 | N81 L82 A87 V88 K89 H115 | N81-S85 PolarHBondContact O-N 3.34Å; L82-S85 PolarHBondContact O-N 3.31Å; S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 3.04Å; S85-A87 PolarHBondContact OG-N 3.29Å; S85-V88 PolarHBondContact O-N 2.84Å; S85-V88 PolarHBondContact OG-N 3.1Å; S85-K89 PolarHBondContact O-N 3.39Å; S85-K89 VanDerWaalsContact O-N 3.17Å; S85-H115 PolarHBondContact O-CE1 2.91Å | ||
| 86 | P | 98.5 | Very high | 98.7 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -33.3 | 170.9 | -22 | 34.5 | 0 | 0 | 0 | 112.8 | E84 V88 K89 E90 | E84-P86 WeakPolarHBondContact O-CD 3.14Å; P86-V88 VanDerWaalsContact C-N 3.33Å; P86-V88 PolarHBondContact O-N 2.87Å; P86-K89 VanDerWaalsContact O-CB 3.3Å; P86-K89 WeakPolarHBondContact O-CB 3.36Å; P86-K89 PolarHBondContact O-N 2.8Å; P86-E90 WeakPolarHBondContact O-CG 3.4Å; P86-E90 PolarHBondContact O-N 2.8Å |
| 87 | A | 98.4 | Very high | 98.7 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L58 S85 E90 V91 | L58-A87 HydrophobicContact CD2-CB 4.03Å; S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 3.04Å; S85-A87 PolarHBondContact OG-N 3.29Å; A87-E90 PolarHBondContact O-N 3.04Å; A87-V91 WeakPolarHBondContact O-CG2 3.31Å; A87-V91 PolarHBondContact O-N 2.89Å; A87-V91 VanDerWaalsContact O-N 3.12Å |
| 88 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | I9 L38 L58 L72 L82 S85 P86 E90 V91 L92 | I9-V88 HydrophobicContact CD1-CG1 4.45Å; I9-V88 HydrophobicContact CD1-CG2 4.16Å; I9-V88 HydrophobicContact CG2-CG2 4.3Å; L38-V88 HydrophobicContact CD1-CG2 3.58Å; L58-V88 HydrophobicContact CD2-CG2 4.1Å; L72-V88 HydrophobicContact CD2-CG1 4.43Å; L82-V88 HydrophobicContact CD2-CG2 3.87Å; S85-V88 PolarHBondContact O-N 2.84Å; S85-V88 PolarHBondContact OG-N 3.1Å; P86-V88 VanDerWaalsContact C-N 3.33Å; P86-V88 PolarHBondContact O-N 2.87Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 3.49Å; V88-V91 PolarHBondContact O-N 3.03Å; V88-L92 HydrophobicContact CG1-CD1 3.71Å; V88-L92 HydrophobicContact CG1-CG 4.11Å; V88-L92 VanDerWaalsContact O-CG 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.48Å |
| 89 | K | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.5 | -49.1 | 174.4 | -170.3 | 175.3 | 177.6 | 174.3 | 0 | 112.1 | S85 P86 L92 K93 H115 | S85-K89 PolarHBondContact O-N 3.39Å; S85-K89 VanDerWaalsContact O-N 3.17Å; P86-K89 VanDerWaalsContact O-CB 3.3Å; P86-K89 WeakPolarHBondContact O-CB 3.36Å; P86-K89 PolarHBondContact O-N 2.8Å; K89-L92 PolarHBondContact O-N 2.83Å; K89-K93 HydrophobicContact CG-CG 4.49Å; K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CG 3.49Å; K89-K93 PolarHBondContact O-N 3.27Å; K89-H115 HydrophobicContact CB-CB 4.48Å; K89-H115 VanDerWaalsContact CB-ND1 3.33Å; K89-H115 WeakPolarHBondContact CB-ND1 3.21Å; K89-H115 HydrophobicContact CG-CB 4.14Å |
| 90 | E | 98.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 58 Ų | 58 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 179.1 | -71.7 | 174.7 | 178.7 | 0 | 0 | 111.5 | R62 P86 A87 V88 L92 K93 D94 | R62-E90 IonicContact CZ-OE2 3.97Å; R62-E90 IonicContact NH1-OE2 2.74Å; R62-E90 PolarHBondContact NH1-OE2 3.22Å; P86-E90 WeakPolarHBondContact O-CG 3.4Å; P86-E90 PolarHBondContact O-N 2.8Å; A87-E90 PolarHBondContact O-N 3.04Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 3.49Å; E90-L92 PolarHBondContact O-N 3.14Å; E90-K93 PolarHBondContact O-N 2.77Å; E90-D94 PolarHBondContact O-N 3.36Å |
| 91 | V | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 178.9 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | L7 I9 L58 R62 V70 A87 V88 Q95 | L7-V91 HydrophobicContact CD2-CG1 3.9Å; I9-V91 HydrophobicContact CD1-CG1 4.37Å; L58-V91 HydrophobicContact CD1-CG2 4.37Å; R62-V91 HydrophobicContact CB-CG2 4.25Å; V70-V91 HydrophobicContact CG1-CG1 4.03Å; V70-V91 HydrophobicContact CG2-CG1 3.95Å; A87-V91 WeakPolarHBondContact O-CG2 3.31Å; A87-V91 PolarHBondContact O-N 2.89Å; A87-V91 VanDerWaalsContact O-N 3.12Å; V88-V91 PolarHBondContact O-N 3.03Å; V91-Q95 WeakPolarHBondContact O-CB 3.37Å; V91-Q95 PolarHBondContact O-N 3.35Å |
| 92 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | -179.5 | -65.6 | 174.1 | 0 | 0 | 0 | 112.3 | V70 L72 V88 K89 E90 Q95 E96 I102 L112 H115 I117 | V70-L92 HydrophobicContact CG1-CD2 4.03Å; L72-L92 HydrophobicContact CD1-CD1 3.99Å; L72-L92 HydrophobicContact CD1-CD2 4.12Å; L72-L92 HydrophobicContact CD2-CD2 4.44Å; L72-L92 HydrophobicContact CG-CD2 4.49Å; V88-L92 HydrophobicContact CG1-CD1 3.71Å; V88-L92 HydrophobicContact CG1-CG 4.11Å; V88-L92 VanDerWaalsContact O-CG 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.48Å; K89-L92 PolarHBondContact O-N 2.83Å; E90-L92 PolarHBondContact O-N 3.14Å; L92-Q95 PolarHBondContact O-N 3.25Å; L92-E96 VanDerWaalsContact O-CB 3.32Å; L92-E96 WeakPolarHBondContact O-CB 3.37Å; L92-E96 PolarHBondContact O-N 3.43Å; L92-I102 HydrophobicContact CD2-CD1 4.18Å; L92-I102 HydrophobicContact CD2-CG1 4.41Å; L92-I102 HydrophobicContact CD2-CG2 4.06Å; L92-L112 HydrophobicContact CD1-CD2 4.34Å; L92-H115 HydrophobicContact CD1-CB 4.41Å; L92-I117 HydrophobicContact CB-CD1 3.7Å; L92-I117 HydrophobicContact CB-CG1 3.86Å; L92-I117 HydrophobicContact CD1-CG1 4.21Å |
| 93 | K | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.7 | -77 | -68.6 | 171.5 | -163.7 | 0 | 112.5 | K89 E90 E96 G97 H115 G116 I117 | K89-K93 HydrophobicContact CG-CG 4.49Å; K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CG 3.49Å; K89-K93 PolarHBondContact O-N 3.27Å; E90-K93 PolarHBondContact O-N 2.77Å; K93-E96 IonicContact NZ-OE2 2.61Å; K93-E96 PolarHBondContact NZ-OE2 3.4Å; K93-G97 PolarHBondContact O-N 2.95Å; K93-H115 WeakPolarHBondContact CE-O 3.33Å; K93-G116 PolarHBondContact NZ-O 3.39Å; K93-I117 HydrophobicContact CD-CD1 3.74Å; K93-I117 HydrophobicContact CG-CD1 3.99Å |
| 94 | D | 98.4 | Very high | 98.6 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 171 | 179.2 | 69.9 | 0 | 0 | 0 | 111 | E90 E96 G97 R98 | E90-D94 PolarHBondContact O-N 3.36Å; D94-E96 PolarHBondContact O-N 2.89Å; D94-G97 PolarHBondContact O-N 3.22Å; D94-R98 WeakPolarHBondContact O-CG 3.21Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 VanDerWaalsContact O-N 3.1Å; D94-R98 IonicContact OD2-NE 2.84Å; D94-R98 PolarHBondContact OD2-NE 2.93Å |
| 95 | Q | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 178.4 | -168.5 | 70.8 | 7.9 | 0 | 0 | 112 | Y67 D68 V70 V91 L92 R98 K99 G100 L101 I102 | Y67-Q95 PolarHBondContact O-NE2 3.38Å; D68-Q95 PolarHBondContact O-NE2 3.23Å; V70-Q95 HydrophobicContact CB-CG 4.35Å; V70-Q95 HydrophobicContact CG2-CB 4.24Å; V70-Q95 HydrophobicContact CG2-CG 3.92Å; V91-Q95 WeakPolarHBondContact O-CB 3.37Å; V91-Q95 PolarHBondContact O-N 3.35Å; L92-Q95 PolarHBondContact O-N 3.25Å; Q95-R98 WeakPolarHBondContact O-CG 3.36Å; Q95-R98 PolarHBondContact O-N 3.07Å; Q95-K99 PolarHBondContact O-N 3.3Å; Q95-G100 VanDerWaalsContact NE2-C 3.25Å; Q95-G100 PolarHBondContact O-N 2.93Å; Q95-L101 PolarHBondContact NE2-O 2.91Å; Q95-I102 HydrophobicContact CB-CD1 4.17Å; Q95-I102 HydrophobicContact CB-CG1 4.09Å; Q95-I102 HydrophobicContact CG-CD1 4.09Å; Q95-I102 HydrophobicContact CG-CG1 3.48Å; Q95-I102 VanDerWaalsContact CG-CG1 3.48Å |
| 96 | E | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.8 | 176.2 | 176.6 | -116.9 | 0 | 0 | 111.6 | L92 K93 D94 R98 K99 I102 A118 | L92-E96 VanDerWaalsContact O-CB 3.32Å; L92-E96 WeakPolarHBondContact O-CB 3.37Å; L92-E96 PolarHBondContact O-N 3.43Å; K93-E96 IonicContact NZ-OE2 2.61Å; K93-E96 PolarHBondContact NZ-OE2 3.4Å; D94-E96 PolarHBondContact O-N 2.89Å; E96-R98 PolarHBondContact O-N 2.87Å; E96-K99 PolarHBondContact O-N 3.36Å; E96-I102 HydrophobicContact CB-CD1 4.39Å; E96-A118 PolarHBondContact OE1-N 3.21Å |
| 97 | G | 98.4 | Very high | 98.6 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 72% | 0.722 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.1 | -31.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K93 D94 | K93-G97 PolarHBondContact O-N 2.95Å; D94-G97 PolarHBondContact O-N 3.22Å |
| 98 | R | 97.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 10.2 | 175 | 72.7 | -166.3 | 174.5 | 87.5 | -9.3 | 114.6 | P66 Y67 D94 Q95 E96 G100 | P66-R98 VanDerWaalsContact CB-NH1 3.31Å; Y67-R98 VanDerWaalsContact O-CZ 3.25Å; Y67-R98 PolarHBondContact O-NH1 2.88Å; Y67-R98 PolarHBondContact O-NH2 2.83Å; D94-R98 WeakPolarHBondContact O-CG 3.21Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 VanDerWaalsContact O-N 3.1Å; D94-R98 IonicContact OD2-NE 2.84Å; D94-R98 PolarHBondContact OD2-NE 2.93Å; Q95-R98 WeakPolarHBondContact O-CG 3.36Å; Q95-R98 PolarHBondContact O-N 3.07Å; E96-R98 PolarHBondContact O-N 2.87Å; R98-G100 PolarHBondContact O-N 2.91Å |
| 99 | K | 98.1 | Very high | 98.7 | Very high | 151 Ų | 151 | 40.1 Ų | 40.1 | 66% | 0.657 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.4 | -177.8 | -56.2 | -179.1 | -179.6 | -179 | 0 | 113 | Q95 E96 H151 | Q95-K99 PolarHBondContact O-N 3.3Å; E96-K99 PolarHBondContact O-N 3.36Å; K99-H151 PolarHBondContact O-CE1 2.99Å; K99-H151 PolarHBondContact O-ND1 3.34Å; K99-H151 VanDerWaalsContact O-ND1 3.14Å |
| 100 | G | 98.3 | Very high | 98.7 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | -75.8 | 155.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q95 R98 I102 | Q95-G100 VanDerWaalsContact NE2-C 3.25Å; Q95-G100 PolarHBondContact O-N 2.93Å; R98-G100 PolarHBondContact O-N 2.91Å; G100-I102 PolarHBondContact O-N 3.35Å | ||
| 101 | L | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.6 | -178.7 | -171.6 | 64.1 | 0 | 0 | 0 | 110.7 | D68 V69 V70 Q95 H151 I153 I168 E171 L172 | D68-L101 WeakPolarHBondContact O-CB 3.42Å; D68-L101 PolarHBondContact O-N 3.48Å; V69-L101 VanDerWaalsContact CA-O 3.31Å; V69-L101 WeakPolarHBondContact CA-O 3.24Å; V69-L101 HydrophobicContact CB-CB 4.06Å; V69-L101 HydrophobicContact CB-CD2 4.05Å; V69-L101 HydrophobicContact CB-CG 4.29Å; V69-L101 HydrophobicContact CG2-CB 4.05Å; V69-L101 HydrophobicContact CG2-CD2 3.81Å; V69-L101 HydrophobicContact CG2-CG 3.84Å; V70-L101 PolarHBondContact N-O 3.4Å; Q95-L101 PolarHBondContact NE2-O 2.91Å; L101-H151 WeakPolarHBondContact CA-O 3.38Å; L101-H151 WeakPolarHBondContact CD1-O 3.03Å; L101-I153 HydrophobicContact CD1-CD1 3.98Å; L101-I153 HydrophobicContact CD1-CG1 4.01Å; L101-I153 HydrophobicContact CD2-CD1 4.1Å; L101-I168 HydrophobicContact CD2-CG2 4.36Å; L101-E171 HydrophobicContact CD1-CG 4.2Å; L101-E171 HydrophobicContact CD2-CB 4.13Å; L101-E171 HydrophobicContact CD2-CG 3.82Å; L101-L172 HydrophobicContact CD2-CD2 4.08Å; L101-L172 HydrophobicContact CD2-CG 4.24Å |
| 102 | I | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134 | 167.9 | -62.9 | 172.9 | 0 | 0 | 0 | 107.5 | L92 Q95 E96 G100 L112 I117 H151 L152 I153 | L92-I102 HydrophobicContact CD2-CD1 4.18Å; L92-I102 HydrophobicContact CD2-CG1 4.41Å; L92-I102 HydrophobicContact CD2-CG2 4.06Å; Q95-I102 HydrophobicContact CB-CD1 4.17Å; Q95-I102 HydrophobicContact CB-CG1 4.09Å; Q95-I102 HydrophobicContact CG-CD1 4.09Å; Q95-I102 HydrophobicContact CG-CG1 3.48Å; Q95-I102 VanDerWaalsContact CG-CG1 3.48Å; E96-I102 HydrophobicContact CB-CD1 4.39Å; G100-I102 PolarHBondContact O-N 3.35Å; I102-L112 HydrophobicContact CG2-CD2 3.7Å; I102-I117 HydrophobicContact CD1-CG2 3.57Å; I102-H151 PolarHBondContact N-O 3.35Å; I102-L152 HydrophobicContact CB-CD1 4.16Å; I102-L152 HydrophobicContact CG2-CD1 4.03Å; I102-L152 WeakPolarHBondContact O-CA 3.29Å; I102-I153 PolarHBondContact O-N 2.69Å |
| 103 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V69 V70 L71 L72 I153 F164 I168 | V69-A103 HydrophobicContact CG2-CB 3.92Å; V70-A103 PolarHBondContact O-N 3.04Å; L71-A103 CarbonylContact C-O 3.56Å; L71-A103 VanDerWaalsContact CA-O 3.25Å; L71-A103 WeakPolarHBondContact CA-O 3.21Å; L71-A103 HydrophobicContact CG-CB 4.4Å; L72-A103 PolarHBondContact N-O 3.17Å; A103-I153 CarbonylContact C-O 3.56Å; A103-I153 VanDerWaalsContact CA-O 3.23Å; A103-I153 WeakPolarHBondContact CA-O 3.08Å; A103-I153 HydrophobicContact CB-CB 4.46Å; A103-F164 HydrophobicContact CB-CE2 3.85Å; A103-F164 HydrophobicContact CB-CZ 3.62Å; A103-I168 HydrophobicContact CB-CD1 3.66Å; A103-I168 HydrophobicContact CB-CG1 4Å |
| 104 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 P109 L112 I153 T154 S155 | L72-A104 HydrophobicContact CB-CB 4.01Å; L72-A104 HydrophobicContact CD1-CB 4.48Å; L72-A104 WeakPolarHBondContact O-CA 3.29Å; A104-P109 HydrophobicContact CB-CB 4.4Å; A104-P109 HydrophobicContact CB-CG 3.85Å; A104-L112 HydrophobicContact CB-CD1 4.24Å; A104-I153 PolarHBondContact N-O 3.42Å; A104-T154 CarbonylContact O-C 3.58Å; A104-T154 WeakPolarHBondContact O-CA 3.3Å; A104-S155 PolarHBondContact O-N 2.82Å; A104-S155 VanDerWaalsContact O-N 3.11Å |
| 105 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.6 | -174.7 | 59.2 | 0 | 0 | 0 | 0 | 112 | E18 L72 G74 A107 G108 P109 S155 F164 | E18-V105 HydrophobicContact CB-CG1 3.81Å; E18-V105 HydrophobicContact CG-CG1 4.1Å; E18-V105 HydrophobicContact CG-CG2 4.27Å; L72-V105 PolarHBondContact O-N 3.2Å; G74-V105 WeakPolarHBondContact CA-O 3.42Å; G74-V105 PolarHBondContact N-O 3.16Å; V105-A107 PolarHBondContact O-N 3.36Å; V105-A107 VanDerWaalsContact O-N 3.08Å; V105-G108 WeakPolarHBondContact O-CA 3.25Å; V105-G108 PolarHBondContact O-N 2.91Å; V105-P109 WeakPolarHBondContact O-CD 3.39Å; V105-S155 CarbonylContact C-O 3.59Å; V105-S155 WeakPolarHBondContact CA-O 3.46Å; V105-F164 HydrophobicContact CB-CD1 4.03Å; V105-F164 HydrophobicContact CB-CE1 3.84Å; V105-F164 HydrophobicContact CB-CG 4.49Å; V105-F164 HydrophobicContact CB-CZ 4.15Å; V105-F164 HydrophobicContact CG1-CD1 4.32Å; V105-F164 HydrophobicContact CG1-CE1 3.93Å; V105-F164 HydrophobicContact CG2-CD1 4.45Å |
| 106 | C | 98.7 | Very high | 98.7 | Very high | 13 Ų | 13 | 26 Ų | 26 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -106.2 | 171.7 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | E18 T125 H126 S155 R156 | E18-C106 WeakPolarHBondContact OE1-CB 3.39Å; E18-C106 PolarHBondContact OE1-SG 2.89Å; E18-C106 WeakPolarHBondContact OE2-CB 3.31Å; C106-T125 WeakPolarHBondContact O-CB 3.38Å; C106-H126 HydrophobicContact CB-CB 4.27Å; C106-H126 PolarHBondContact O-N 3.26Å; C106-H126 VanDerWaalsContact SG-CB 3.58Å; C106-S155 PolarHBondContact N-O 3.04Å; C106-R156 WeakPolarHBondContact CA-O 3.28Å |
| 107 | A | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -16.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A79 V105 P109 T110 A129 | A79-A107 HydrophobicContact CB-CB 3.73Å; A79-A107 WeakPolarHBondContact CB-O 3.25Å; V105-A107 PolarHBondContact O-N 3.36Å; V105-A107 VanDerWaalsContact O-N 3.08Å; A107-P109 VanDerWaalsContact C-N 3.31Å; A107-T110 WeakPolarHBondContact O-CB 3.4Å; A107-T110 WeakPolarHBondContact O-CG2 3.3Å; A107-T110 PolarHBondContact O-N 3.43Å; A107-T110 PolarHBondContact O-OG1 2.8Å; A107-A129 HydrophobicContact CB-CB 4.37Å |
| 108 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | V105 T110 A111 | V105-G108 WeakPolarHBondContact O-CA 3.25Å; V105-G108 PolarHBondContact O-N 2.91Å; G108-T110 PolarHBondContact O-N 2.9Å; G108-A111 WeakPolarHBondContact O-CB 3.23Å; G108-A111 PolarHBondContact O-N 3.46Å |
| 109 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -23.9 | 176.3 | -28.4 | 36.4 | 0 | 0 | 0 | 114.2 | A104 V105 A107 A111 L112 L113 T125 M133 T154 | A104-P109 HydrophobicContact CB-CB 4.4Å; A104-P109 HydrophobicContact CB-CG 3.85Å; V105-P109 WeakPolarHBondContact O-CD 3.39Å; A107-P109 VanDerWaalsContact C-N 3.31Å; P109-A111 PolarHBondContact O-N 3.45Å; P109-L112 HydrophobicContact CB-CD1 4.27Å; P109-L112 WeakPolarHBondContact O-CA 3.37Å; P109-L112 WeakPolarHBondContact O-CB 3.47Å; P109-L112 WeakPolarHBondContact O-CG 3.37Å; P109-L112 PolarHBondContact O-N 3.23Å; P109-L113 PolarHBondContact O-N 3.34Å; P109-T125 HydrophobicContact CB-CG2 3.84Å; P109-T125 HydrophobicContact CG-CG2 4.03Å; P109-M133 VanDerWaalsContact C-SD 3.55Å; P109-M133 HydrophobicContact CB-CE 3.99Å; P109-M133 HydrophobicContact CB-SD 3.99Å; P109-T154 HydrophobicContact CB-CG2 4.25Å; P109-T154 HydrophobicContact CG-CG2 3.95Å |
| 110 | T | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -16.6 | 177.5 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | S83 A107 G108 A114 A129 K132 M133 | S83-T110 PolarHBondContact OG-O 3.32Å; A107-T110 WeakPolarHBondContact O-CB 3.4Å; A107-T110 WeakPolarHBondContact O-CG2 3.3Å; A107-T110 PolarHBondContact O-N 3.43Å; A107-T110 PolarHBondContact O-OG1 2.8Å; G108-T110 PolarHBondContact O-N 2.9Å; T110-A114 PolarHBondContact O-N 3.48Å; T110-A114 VanDerWaalsContact O-N 3.16Å; T110-A129 HydrophobicContact CG2-CB 4.19Å; T110-K132 HydrophobicContact CG2-CB 4.29Å; T110-K132 HydrophobicContact CG2-CD 4Å; T110-K132 HydrophobicContact CG2-CG 4.07Å; T110-M133 HydrophobicContact CG2-CB 4.38Å |
| 111 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73 | -28.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L72 L82 S83 G108 P109 A114 H115 | L72-A111 HydrophobicContact CD1-CB 3.99Å; L82-A111 HydrophobicContact CB-CB 3.99Å; S83-A111 WeakPolarHBondContact OG-CA 3.32Å; G108-A111 WeakPolarHBondContact O-CB 3.23Å; G108-A111 PolarHBondContact O-N 3.46Å; P109-A111 PolarHBondContact O-N 3.45Å; A111-A114 PolarHBondContact O-N 3.26Å; A111-H115 WeakPolarHBondContact O-CB 3.42Å; A111-H115 PolarHBondContact O-CD2 3.14Å; A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 173.5 | -49.8 | 175.8 | 0 | 0 | 0 | 110.4 | L72 L92 I102 A104 P109 H115 G116 I117 Y139 L152 T154 | L72-L112 HydrophobicContact CD1-CD2 3.97Å; L92-L112 HydrophobicContact CD1-CD2 4.34Å; I102-L112 HydrophobicContact CG2-CD2 3.7Å; A104-L112 HydrophobicContact CB-CD1 4.24Å; P109-L112 HydrophobicContact CB-CD1 4.27Å; P109-L112 WeakPolarHBondContact O-CA 3.37Å; P109-L112 WeakPolarHBondContact O-CB 3.47Å; P109-L112 WeakPolarHBondContact O-CG 3.37Å; P109-L112 PolarHBondContact O-N 3.23Å; L112-H115 CarbonylContact O-C 3.59Å; L112-H115 PolarHBondContact O-N 2.93Å; L112-G116 PolarHBondContact O-N 3.16Å; L112-I117 HydrophobicContact CB-CB 4.13Å; L112-I117 HydrophobicContact CD2-CB 4.24Å; L112-I117 HydrophobicContact CD2-CG2 4.07Å; L112-I117 PolarHBondContact O-N 2.91Å; L112-Y139 PolarHBondContact O-OH 2.56Å; L112-L152 HydrophobicContact CD1-CD1 3.58Å; L112-L152 HydrophobicContact CD1-CD2 4.19Å; L112-T154 HydrophobicContact CD1-CG2 4.38Å |
| 113 | L | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 18.6 Ų | 18.6 | 14% | 0.136 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 172.4 | 173.7 | 64 | 0 | 0 | 0 | 111.6 | P109 H115 G116 Y119 K132 M133 Y139 | P109-L113 PolarHBondContact O-N 3.34Å; L113-H115 PolarHBondContact O-N 2.88Å; L113-G116 PolarHBondContact O-N 3.11Å; L113-Y119 HydrophobicContact CD1-CE1 4.44Å; L113-Y119 PolarHBondContact O-OH 2.9Å; L113-K132 WeakPolarHBondContact CD2-O 3.44Å; L113-M133 HydrophobicContact CB-SD 4.09Å; L113-Y139 WeakPolarHBondContact CA-OH 3.33Å; L113-Y139 HydrophobicContact CB-CE2 4.01Å; L113-Y139 HydrophobicContact CD1-CE2 3.98Å; L113-Y139 PolarHBondContact N-OH 2.83Å |
| 114 | A | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 18.6 Ų | 18.6 | 46% | 0.463 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -59.2 | -32.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T110 A111 | T110-A114 PolarHBondContact O-N 3.48Å; T110-A114 VanDerWaalsContact O-N 3.16Å; A111-A114 PolarHBondContact O-N 3.26Å |
| 115 | H | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 7% | 0.065 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -100.3 | 1.6 | -176.8 | -64 | -45.1 | 0 | 0 | 0 | 114.2 | L82 S83 S85 K89 L92 K93 A111 L112 L113 I117 | L82-H115 PolarHBondContact O-NE2 3.41Å; S83-H115 PolarHBondContact O-CE1 3.19Å; S83-H115 PolarHBondContact O-NE2 2.67Å; S85-H115 PolarHBondContact O-CE1 2.91Å; K89-H115 HydrophobicContact CB-CB 4.48Å; K89-H115 VanDerWaalsContact CB-ND1 3.33Å; K89-H115 WeakPolarHBondContact CB-ND1 3.21Å; K89-H115 HydrophobicContact CG-CB 4.14Å; L92-H115 HydrophobicContact CD1-CB 4.41Å; K93-H115 WeakPolarHBondContact CE-O 3.33Å; A111-H115 WeakPolarHBondContact O-CB 3.42Å; A111-H115 PolarHBondContact O-CD2 3.14Å; A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.08Å; L112-H115 CarbonylContact O-C 3.59Å; L112-H115 PolarHBondContact O-N 2.93Å; L113-H115 PolarHBondContact O-N 2.88Å; H115-I117 HydrophobicContact CB-CD1 4.41Å; H115-I117 HydrophobicContact CB-CG1 3.81Å |
| 116 | G | 98.6 | Very high | 98.8 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 45.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K93 L112 L113 | K93-G116 PolarHBondContact NZ-O 3.39Å; L112-G116 PolarHBondContact O-N 3.16Å; L113-G116 PolarHBondContact O-N 3.11Å |
| 117 | I | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -102.5 | 134.8 | -174.4 | -57.3 | -64.7 | 0 | 0 | 0 | 110.1 | L92 K93 I102 L112 H115 Y119 Y139 | L92-I117 HydrophobicContact CB-CD1 3.7Å; L92-I117 HydrophobicContact CB-CG1 3.86Å; L92-I117 HydrophobicContact CD1-CG1 4.21Å; K93-I117 HydrophobicContact CD-CD1 3.74Å; K93-I117 HydrophobicContact CG-CD1 3.99Å; I102-I117 HydrophobicContact CD1-CG2 3.57Å; L112-I117 HydrophobicContact CB-CB 4.13Å; L112-I117 HydrophobicContact CD2-CB 4.24Å; L112-I117 HydrophobicContact CD2-CG2 4.07Å; L112-I117 PolarHBondContact O-N 2.91Å; H115-I117 HydrophobicContact CB-CD1 4.41Å; H115-I117 HydrophobicContact CB-CG1 3.81Å; I117-Y119 VanDerWaalsContact C-N 3.3Å; I117-Y119 PolarHBondContact O-N 2.83Å; I117-Y139 WeakPolarHBondContact O-CE1 3.25Å; I117-Y139 PolarHBondContact O-OH 2.82Å | ||
| 118 | A | 97.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 56.1 | 39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E96 G120 S121 Y139 L152 | E96-A118 PolarHBondContact OE1-N 3.21Å; A118-G120 PolarHBondContact O-N 2.92Å; A118-S121 VanDerWaalsContact O-CB 3.25Å; A118-S121 WeakPolarHBondContact O-CB 3.22Å; A118-S121 PolarHBondContact O-N 2.85Å; A118-S121 VanDerWaalsContact O-N 3.14Å; A118-S121 PolarHBondContact O-OG 3Å; A118-Y139 VanDerWaalsContact O-CE1 3.28Å; A118-Y139 WeakPolarHBondContact O-CE1 3.42Å; A118-L152 HydrophobicContact CB-CD2 3.84Å |
| 119 | Y | 98.6 | Very high | 98.7 | Very high | 109 Ų | 109 | 28.8 Ų | 28.8 | 43% | 0.427 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137.3 | 172.8 | -76.7 | 1.7 | 0 | 0 | 0 | 111.1 | L113 I117 H138 Y139 | L113-Y119 HydrophobicContact CD1-CE1 4.44Å; L113-Y119 PolarHBondContact O-OH 2.9Å; I117-Y119 VanDerWaalsContact C-N 3.3Å; I117-Y119 PolarHBondContact O-N 2.83Å; Y119-H138 HydrophobicContact CD1-CB 3.76Å; Y119-H138 HydrophobicContact CD2-CB 4.34Å; Y119-H138 AromaticContact CD2-ND1 3.92Å; Y119-H138 HydrophobicContact CE1-CB 3.75Å; Y119-H138 AromaticContact CE1-CG 3.92Å; Y119-H138 HydrophobicContact CE2-CB 4.35Å; Y119-H138 AromaticContact CE2-CE1 3.98Å; Y119-H138 AromaticContact CE2-CG 3.85Å; Y119-H138 AromaticContact CE2-ND1 3.64Å; Y119-H138 HydrophobicContact CG-CB 4.05Å; Y119-H138 AromaticContact CZ-CD2 3.85Å; Y119-H138 AromaticContact CZ-CG 3.68Å; Y119-H138 AromaticContact CZ-ND1 3.95Å; Y119-Y139 HydrophobicContact CD1-CE1 4.11Å; Y119-Y139 HydrophobicContact CD1-CE2 4.19Å; Y119-Y139 AromaticContact CD1-CZ 3.68Å; Y119-Y139 HydrophobicContact CE1-CE2 4.1Å; Y119-Y139 AromaticContact CE1-CZ 3.86Å; Y119-Y139 WeakPolarHBondContact CE1-OH 3.4Å |
| 120 | G | 98.4 | Very high | 98.7 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 61% | 0.608 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | -13.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A118 H138 | A118-G120 PolarHBondContact O-N 2.92Å; G120-H138 PolarHBondContact N-O 3.31Å |
| 121 | S | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -71.2 | 154.1 | 179.8 | -66 | 0 | 0 | 0 | 0 | 113.4 | A118 Y139 T140 D149 | A118-S121 VanDerWaalsContact O-CB 3.25Å; A118-S121 WeakPolarHBondContact O-CB 3.22Å; A118-S121 PolarHBondContact O-N 2.85Å; A118-S121 VanDerWaalsContact O-N 3.14Å; A118-S121 PolarHBondContact O-OG 3Å; S121-Y139 WeakPolarHBondContact O-CA 3.26Å; S121-T140 PolarHBondContact O-N 2.97Å; S121-D149 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 122 | T | 98.9 | Very high | 98.7 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.1 | 166.2 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | T140 Q147 D149 | T122-T140 CarbonylContact C-O 3.51Å; T122-T140 VanDerWaalsContact CA-O 3.3Å; T122-T140 WeakPolarHBondContact CA-O 3.4Å; T122-T140 HydrophobicContact CG2-CG2 4.41Å; T122-Q147 HydrophobicContact CG2-CG 3.99Å; T122-Q147 VanDerWaalsContact O-CG 3.28Å; T122-Q147 WeakPolarHBondContact O-CG 3.22Å; T122-D149 PolarHBondContact N-OD2 3.08Å |
| 123 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.7 | -175.1 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | M133 Y139 T140 Y141 S142 L152 T154 | V123-M133 HydrophobicContact CB-CE 4.26Å; V123-M133 HydrophobicContact CG1-CE 4.14Å; V123-M133 HydrophobicContact CG2-CE 3.8Å; V123-M133 HydrophobicContact CG2-CG 4.07Å; V123-Y139 HydrophobicContact CG1-CD1 3.81Å; V123-Y139 HydrophobicContact CG1-CE1 4.4Å; V123-Y139 HydrophobicContact CG1-CG 4.36Å; V123-Y139 HydrophobicContact CG2-CD1 4.41Å; V123-Y139 HydrophobicContact CG2-CG 4.13Å; V123-T140 PolarHBondContact N-O 3.08Å; V123-Y141 CarbonylContact O-C 3.52Å; V123-S142 PolarHBondContact O-N 3.23Å; V123-L152 HydrophobicContact CG1-CD2 3.65Å; V123-T154 WeakPolarHBondContact CA-OG1 3.02Å; V123-T154 HydrophobicContact CB-CG2 4.27Å; V123-T154 HydrophobicContact CG1-CG2 4.31Å |
| 124 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -122.3 | 160.6 | 164.8 | -162.2 | 0 | 0 | 0 | 0 | 110.7 | S142 A144 Q147 T154 R156 | T124-S142 WeakPolarHBondContact CB-O 3.42Å; T124-S142 PolarHBondContact OG1-O 3.14Å; T124-A144 WeakPolarHBondContact CG2-O 3.36Å; T124-A144 PolarHBondContact OG1-O 2.61Å; T124-Q147 HydrophobicContact CG2-CB 3.94Å; T124-T154 PolarHBondContact N-OG1 3.04Å; T124-T154 WeakPolarHBondContact O-CB 3.4Å; T124-R156 HydrophobicContact CG2-CG 3.73Å; T124-R156 WeakPolarHBondContact OG1-CD 3.39Å; T124-R156 VanDerWaalsContact OG1-CG 3.31Å; T124-R156 WeakPolarHBondContact OG1-CG 3.49Å; T124-R156 PolarHBondContact OG1-NE 3.11Å | ||
| 125 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -146.1 | 173.9 | 178 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | C106 P109 K130 M133 Y141 R156 | C106-T125 WeakPolarHBondContact O-CB 3.38Å; P109-T125 HydrophobicContact CB-CG2 3.84Å; P109-T125 HydrophobicContact CG-CG2 4.03Å; T125-K130 PolarHBondContact OG1-N 3.01Å; T125-M133 HydrophobicContact CG2-CB 3.78Å; T125-M133 HydrophobicContact CG2-CG 3.68Å; T125-Y141 HydrophobicContact CG2-CE2 4.33Å; T125-Y141 PolarHBondContact O-OH 2.87Å; T125-Y141 VanDerWaalsContact OG1-CE2 3.32Å; T125-Y141 WeakPolarHBondContact OG1-CE2 3.5Å; T125-Y141 PolarHBondContact OG1-OH 3.29Å; T125-R156 PolarHBondContact O-NE 2.83Å | ||
| 126 | H | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | trans | -56.6 | 138.7 | 159.8 | -172.3 | -93.8 | 0 | 0 | 0 | 109.7 | C106 G128 A129 K130 R156 | C106-H126 HydrophobicContact CB-CB 4.27Å; C106-H126 PolarHBondContact O-N 3.26Å; C106-H126 VanDerWaalsContact SG-CB 3.58Å; H126-G128 PolarHBondContact ND1-N 3.39Å; H126-G128 PolarHBondContact O-N 3.18Å; H126-G128 VanDerWaalsContact O-N 3.13Å; H126-A129 HydrophobicContact CB-CB 4.43Å; H126-A129 WeakPolarHBondContact O-CA 3.12Å; H126-A129 PolarHBondContact O-N 3.15Å; H126-K130 PolarHBondContact O-N 3.49Å; H126-R156 WeakPolarHBondContact CA-O 3.47Å; H126-R156 WeakPolarHBondContact CB-O 3.15Å; H126-R156 PolarHBondContact N-O 2.83Å | ||
| 127 | P | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -49.6 | -43.2 | 179.9 | -28.6 | 33.8 | 0 | 0 | 0 | 113.5 | A129 K130 | P127-A129 PolarHBondContact O-N 3.39Å; P127-K130 VanDerWaalsContact O-CB 3.25Å; P127-K130 WeakPolarHBondContact O-CB 3.01Å; P127-K130 PolarHBondContact O-N 2.97Å; P127-K130 VanDerWaalsContact O-N 3.14Å |
| 128 | G | 98.4 | Very high | 98.5 | Very high | 72 Ų | 72 | 54 Ų | 54 | 74% | 0.742 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -67.8 | -9.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | H126 | H126-G128 PolarHBondContact ND1-N 3.39Å; H126-G128 PolarHBondContact O-N 3.18Å; H126-G128 VanDerWaalsContact O-N 3.13Å |
| 129 | A | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -104.9 | -2.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A107 T110 H126 P127 K132 M133 | A107-A129 HydrophobicContact CB-CB 4.37Å; T110-A129 HydrophobicContact CG2-CB 4.19Å; H126-A129 HydrophobicContact CB-CB 4.43Å; H126-A129 WeakPolarHBondContact O-CA 3.12Å; H126-A129 PolarHBondContact O-N 3.15Å; P127-A129 PolarHBondContact O-N 3.39Å; A129-K132 PolarHBondContact O-N 3.25Å; A129-M133 WeakPolarHBondContact O-CB 3.23Å; A129-M133 PolarHBondContact O-N 3.05Å |
| 130 | K | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.2 | -53.9 | -177.4 | 178.2 | 175.9 | -178.2 | 177.4 | 0 | 112 | T125 H126 P127 K132 M133 M134 Y141 | T125-K130 PolarHBondContact OG1-N 3.01Å; H126-K130 PolarHBondContact O-N 3.49Å; P127-K130 VanDerWaalsContact O-CB 3.25Å; P127-K130 WeakPolarHBondContact O-CB 3.01Å; P127-K130 PolarHBondContact O-N 2.97Å; P127-K130 VanDerWaalsContact O-N 3.14Å; K130-K132 VanDerWaalsContact C-N 3.31Å; K130-K132 PolarHBondContact O-N 3.04Å; K130-M133 PolarHBondContact O-N 3.49Å; K130-M133 VanDerWaalsContact O-N 3.1Å; K130-M134 HydrophobicContact CG-CG 4.26Å; K130-M134 VanDerWaalsContact O-CG 3.32Å; K130-M134 WeakPolarHBondContact O-CG 3.43Å; K130-M134 PolarHBondContact O-N 3.13Å; K130-Y141 HydrophobicContact CB-CE2 3.99Å; K130-Y141 HydrophobicContact CD-CD1 3.98Å; K130-Y141 HydrophobicContact CD-CE1 3.59Å; K130-Y141 HydrophobicContact CD-CE2 4.26Å; K130-Y141 HydrophobicContact CD-CG 4.44Å; K130-Y141 HydrophobicContact CG-CD1 4.3Å; K130-Y141 HydrophobicContact CG-CD2 4.01Å; K130-Y141 HydrophobicContact CG-CE1 3.96Å; K130-Y141 HydrophobicContact CG-CE2 3.65Å; K130-Y141 HydrophobicContact CG-CG 4.32Å |
| 131 | D | 98.5 | Very high | 98.5 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | -174 | -62.2 | -15.9 | 0 | 0 | 0 | 111.9 | M134 T135 | D131-M134 PolarHBondContact O-N 2.87Å; D131-T135 PolarHBondContact O-N 2.9Å; D131-T135 PolarHBondContact O-OG1 3.08Å |
| 132 | K | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 173.6 | -175.6 | 174 | 179.9 | -175.8 | 0 | 110.9 | T110 L113 A129 K130 M134 T135 | T110-K132 HydrophobicContact CG2-CB 4.29Å; T110-K132 HydrophobicContact CG2-CD 4Å; T110-K132 HydrophobicContact CG2-CG 4.07Å; L113-K132 WeakPolarHBondContact CD2-O 3.44Å; A129-K132 PolarHBondContact O-N 3.25Å; K130-K132 VanDerWaalsContact C-N 3.31Å; K130-K132 PolarHBondContact O-N 3.04Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 3.29Å; K132-T135 WeakPolarHBondContact O-CB 3.49Å; K132-T135 PolarHBondContact O-N 3.37Å; K132-T135 PolarHBondContact O-OG1 3.2Å |
| 133 | M | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -35.3 | -178.4 | -171.9 | 61.6 | -177.1 | 0 | 0 | 113.1 | P109 T110 L113 V123 T125 A129 K130 T135 Y139 | P109-M133 VanDerWaalsContact C-SD 3.55Å; P109-M133 HydrophobicContact CB-CE 3.99Å; P109-M133 HydrophobicContact CB-SD 3.99Å; T110-M133 HydrophobicContact CG2-CB 4.38Å; L113-M133 HydrophobicContact CB-SD 4.09Å; V123-M133 HydrophobicContact CB-CE 4.26Å; V123-M133 HydrophobicContact CG1-CE 4.14Å; V123-M133 HydrophobicContact CG2-CE 3.8Å; V123-M133 HydrophobicContact CG2-CG 4.07Å; T125-M133 HydrophobicContact CG2-CB 3.78Å; T125-M133 HydrophobicContact CG2-CG 3.68Å; A129-M133 WeakPolarHBondContact O-CB 3.23Å; A129-M133 PolarHBondContact O-N 3.05Å; K130-M133 PolarHBondContact O-N 3.49Å; K130-M133 VanDerWaalsContact O-N 3.1Å; M133-T135 VanDerWaalsContact C-N 3.31Å; M133-Y139 HydrophobicContact CE-CD1 4.01Å; M133-Y139 HydrophobicContact CE-CD2 3.6Å; M133-Y139 HydrophobicContact CE-CE1 3.85Å; M133-Y139 HydrophobicContact CE-CE2 3.44Å; M133-Y139 VanDerWaalsContact CE-CE2 3.44Å; M133-Y139 HydrophobicContact CE-CG 3.88Å; M133-Y139 HydrophobicContact SD-CD2 4.36Å; M133-Y139 HydrophobicContact SD-CE2 4.17Å |
| 134 | M | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.1 | -176.8 | -61.5 | -53.7 | -63.8 | 0 | 0 | 113.9 | K130 D131 K132 G136 G137 Y139 Y141 | K130-M134 HydrophobicContact CG-CG 4.26Å; K130-M134 VanDerWaalsContact O-CG 3.32Å; K130-M134 WeakPolarHBondContact O-CG 3.43Å; K130-M134 PolarHBondContact O-N 3.13Å; D131-M134 PolarHBondContact O-N 2.87Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 3.29Å; M134-G136 PolarHBondContact O-N 2.93Å; M134-G137 PolarHBondContact O-N 3.31Å; M134-G137 VanDerWaalsContact O-N 3.13Å; M134-Y139 WeakPolarHBondContact CE-O 3.4Å; M134-Y141 HydrophobicContact CG-CD2 3.96Å; M134-Y141 HydrophobicContact CG-CG 4.44Å; M134-Y141 HydrophobicContact SD-CD2 3.7Å; M134-Y141 HydrophobicContact SD-CG 4.16Å |
| 135 | T | 98.1 | Very high | 98.5 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -58.7 | 129.6 | 175.5 | -64 | 0 | 0 | 0 | 0 | 110.1 | D131 K132 M133 G137 | D131-T135 PolarHBondContact O-N 2.9Å; D131-T135 PolarHBondContact O-OG1 3.08Å; K132-T135 WeakPolarHBondContact O-CB 3.49Å; K132-T135 PolarHBondContact O-N 3.37Å; K132-T135 PolarHBondContact O-OG1 3.2Å; M133-T135 VanDerWaalsContact C-N 3.31Å; T135-G137 VanDerWaalsContact C-N 3.28Å; T135-G137 PolarHBondContact O-N 3.09Å |
| 136 | G | 97.4 | Very high | 98.5 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | 80.6 | -3.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M134 H138 | M134-G136 PolarHBondContact O-N 2.93Å; G136-H138 VanDerWaalsContact C-N 3.3Å; G136-H138 PolarHBondContact O-N 2.95Å |
| 137 | G | 97.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | 66.7 | 28.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M134 T135 Y139 | M134-G137 PolarHBondContact O-N 3.31Å; M134-G137 VanDerWaalsContact O-N 3.13Å; T135-G137 VanDerWaalsContact C-N 3.28Å; T135-G137 PolarHBondContact O-N 3.09Å; G137-Y139 VanDerWaalsContact C-N 3.33Å; G137-Y139 PolarHBondContact O-N 2.72Å |
| 138 | H | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | trans | -78.4 | -12.3 | -176.5 | -61.6 | -59 | 0 | 0 | 0 | 114.7 | Y119 G120 G136 | Y119-H138 HydrophobicContact CD1-CB 3.76Å; Y119-H138 HydrophobicContact CD2-CB 4.34Å; Y119-H138 AromaticContact CD2-ND1 3.92Å; Y119-H138 HydrophobicContact CE1-CB 3.75Å; Y119-H138 AromaticContact CE1-CG 3.92Å; Y119-H138 HydrophobicContact CE2-CB 4.35Å; Y119-H138 AromaticContact CE2-CE1 3.98Å; Y119-H138 AromaticContact CE2-CG 3.85Å; Y119-H138 AromaticContact CE2-ND1 3.64Å; Y119-H138 HydrophobicContact CG-CB 4.05Å; Y119-H138 AromaticContact CZ-CD2 3.85Å; Y119-H138 AromaticContact CZ-CG 3.68Å; Y119-H138 AromaticContact CZ-ND1 3.95Å; G120-H138 PolarHBondContact N-O 3.31Å; G136-H138 VanDerWaalsContact C-N 3.3Å; G136-H138 PolarHBondContact O-N 2.95Å | ||
| 139 | Y | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -135.5 | 162.5 | -175.6 | -54.7 | -84.4 | 0 | 0 | 0 | 111.1 | L112 L113 I117 A118 Y119 S121 V123 M133 M134 G137 | L112-Y139 PolarHBondContact O-OH 2.56Å; L113-Y139 WeakPolarHBondContact CA-OH 3.33Å; L113-Y139 HydrophobicContact CB-CE2 4.01Å; L113-Y139 HydrophobicContact CD1-CE2 3.98Å; L113-Y139 PolarHBondContact N-OH 2.83Å; I117-Y139 WeakPolarHBondContact O-CE1 3.25Å; I117-Y139 PolarHBondContact O-OH 2.82Å; A118-Y139 VanDerWaalsContact O-CE1 3.28Å; A118-Y139 WeakPolarHBondContact O-CE1 3.42Å; Y119-Y139 HydrophobicContact CD1-CE1 4.11Å; Y119-Y139 HydrophobicContact CD1-CE2 4.19Å; Y119-Y139 AromaticContact CD1-CZ 3.68Å; Y119-Y139 HydrophobicContact CE1-CE2 4.1Å; Y119-Y139 AromaticContact CE1-CZ 3.86Å; Y119-Y139 WeakPolarHBondContact CE1-OH 3.4Å; S121-Y139 WeakPolarHBondContact O-CA 3.26Å; V123-Y139 HydrophobicContact CG1-CD1 3.81Å; V123-Y139 HydrophobicContact CG1-CE1 4.4Å; V123-Y139 HydrophobicContact CG1-CG 4.36Å; V123-Y139 HydrophobicContact CG2-CD1 4.41Å; V123-Y139 HydrophobicContact CG2-CG 4.13Å; M133-Y139 HydrophobicContact CE-CD1 4.01Å; M133-Y139 HydrophobicContact CE-CD2 3.6Å; M133-Y139 HydrophobicContact CE-CE1 3.85Å; M133-Y139 HydrophobicContact CE-CE2 3.44Å; M133-Y139 VanDerWaalsContact CE-CE2 3.44Å; M133-Y139 HydrophobicContact CE-CG 3.88Å; M133-Y139 HydrophobicContact SD-CD2 4.36Å; M133-Y139 HydrophobicContact SD-CE2 4.17Å; M134-Y139 WeakPolarHBondContact CE-O 3.4Å; G137-Y139 VanDerWaalsContact C-N 3.33Å; G137-Y139 PolarHBondContact O-N 2.72Å |
| 140 | T | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.9 | 167.1 | -60.8 | 0 | 0 | 0 | 0 | 109.4 | S121 T122 V123 | S121-T140 PolarHBondContact O-N 2.97Å; T122-T140 CarbonylContact C-O 3.51Å; T122-T140 VanDerWaalsContact CA-O 3.3Å; T122-T140 WeakPolarHBondContact CA-O 3.4Å; T122-T140 HydrophobicContact CG2-CG2 4.41Å; V123-T140 PolarHBondContact N-O 3.08Å |
| 141 | Y | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.2 | -177.7 | -159.4 | -103 | 0 | 0 | 0 | 112.5 | V123 T125 K130 M134 E143 R156 | V123-Y141 CarbonylContact O-C 3.52Å; T125-Y141 HydrophobicContact CG2-CE2 4.33Å; T125-Y141 PolarHBondContact O-OH 2.87Å; T125-Y141 VanDerWaalsContact OG1-CE2 3.32Å; T125-Y141 WeakPolarHBondContact OG1-CE2 3.5Å; T125-Y141 PolarHBondContact OG1-OH 3.29Å; K130-Y141 HydrophobicContact CB-CE2 3.99Å; K130-Y141 HydrophobicContact CD-CD1 3.98Å; K130-Y141 HydrophobicContact CD-CE1 3.59Å; K130-Y141 HydrophobicContact CD-CE2 4.26Å; K130-Y141 HydrophobicContact CD-CG 4.44Å; K130-Y141 HydrophobicContact CG-CD1 4.3Å; K130-Y141 HydrophobicContact CG-CD2 4.01Å; K130-Y141 HydrophobicContact CG-CE1 3.96Å; K130-Y141 HydrophobicContact CG-CE2 3.65Å; K130-Y141 HydrophobicContact CG-CG 4.32Å; M134-Y141 HydrophobicContact CG-CD2 3.96Å; M134-Y141 HydrophobicContact CG-CG 4.44Å; M134-Y141 HydrophobicContact SD-CD2 3.7Å; M134-Y141 HydrophobicContact SD-CG 4.16Å; Y141-E143 HydrophobicContact CD1-CG 4.48Å; Y141-E143 HydrophobicContact CE1-CG 4.26Å; Y141-R156 PolarHBondContact OH-NH2 3.49Å |
| 142 | S | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -124.5 | 142.6 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | V123 T124 A144 Q147 | V123-S142 PolarHBondContact O-N 3.23Å; T124-S142 WeakPolarHBondContact CB-O 3.42Å; T124-S142 PolarHBondContact OG1-O 3.14Å; S142-A144 VanDerWaalsContact OG-CB 3.26Å; S142-A144 WeakPolarHBondContact OG-CB 3.45Å; S142-A144 PolarHBondContact OG-N 2.77Å; S142-A144 VanDerWaalsContact OG-N 3.16Å; S142-Q147 PolarHBondContact OG-OE1 3.29Å | ||
| 143 | E | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | -92.4 | 1.2 | 172.6 | -61.2 | -162.8 | 158.6 | 0 | 0 | 113.3 | Y141 R156 | Y141-E143 HydrophobicContact CD1-CG 4.48Å; Y141-E143 HydrophobicContact CE1-CG 4.26Å; E143-R156 PolarHBondContact O-NH1 3.22Å | ||
| 144 | A | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | trans | -55.1 | 142.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T124 S142 V146 R156 | T124-A144 WeakPolarHBondContact CG2-O 3.36Å; T124-A144 PolarHBondContact OG1-O 2.61Å; S142-A144 VanDerWaalsContact OG-CB 3.26Å; S142-A144 WeakPolarHBondContact OG-CB 3.45Å; S142-A144 PolarHBondContact OG-N 2.77Å; S142-A144 VanDerWaalsContact OG-N 3.16Å; A144-V146 VanDerWaalsContact C-N 3.25Å; A144-V146 WeakPolarHBondContact CB-O 3.46Å; A144-V146 PolarHBondContact O-N 2.75Å; A144-R156 VanDerWaalsContact O-CD 3.31Å; A144-R156 WeakPolarHBondContact O-CD 3.35Å; A144-R156 WeakPolarHBondContact O-CG 3.47Å | ||
| 145 | R | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 53 Ų | 53 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -61.7 | -36.8 | 179.8 | -66.5 | 176.9 | 61 | 77.7 | -2 | 112.1 | S155 R156 G159 T160 E163 | R145-S155 WeakPolarHBondContact O-CA 3.38Å; R145-S155 PolarHBondContact O-OG 3.12Å; R145-R156 PolarHBondContact O-N 3.06Å; R145-G159 PolarHBondContact NH2-O 2.82Å; R145-T160 HydrophobicContact CB-CG2 3.87Å; R145-T160 HydrophobicContact CG-CG2 4.22Å; R145-E163 WeakPolarHBondContact CD-OE2 3.38Å; R145-E163 IonicContact CZ-OE1 3.06Å; R145-E163 VanDerWaalsContact CZ-OE1 3.24Å; R145-E163 IonicContact CZ-OE2 3.27Å; R145-E163 VanDerWaalsContact NE-CD 3.31Å; R145-E163 IonicContact NE-OE1 3.86Å; R145-E163 PolarHBondContact NE-OE1 3.48Å; R145-E163 IonicContact NE-OE2 2.77Å; R145-E163 PolarHBondContact NE-OE2 3.18Å; R145-E163 IonicContact NH2-OE1 3.74Å; R145-E163 PolarHBondContact NH2-OE1 3.26Å; R145-E163 IonicContact NH2-OE2 2.56Å |
| 146 | V | 98.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.6 | 169.9 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | A144 I153 T154 E163 F164 A167 | A144-V146 VanDerWaalsContact C-N 3.25Å; A144-V146 WeakPolarHBondContact CB-O 3.46Å; A144-V146 PolarHBondContact O-N 2.75Å; V146-I153 HydrophobicContact CG1-CG2 3.83Å; V146-T154 CarbonylContact C-O 3.58Å; V146-T154 WeakPolarHBondContact CA-O 3.16Å; V146-E163 HydrophobicContact CG2-CB 3.66Å; V146-F164 HydrophobicContact CG2-CB 4.34Å; V146-A167 HydrophobicContact CG1-CB 3.92Å |
| 147 | Q | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 177.9 | 178.4 | 64.8 | 53.6 | 0 | 0 | 108.7 | T122 T124 S142 I153 T154 | T122-Q147 HydrophobicContact CG2-CG 3.99Å; T122-Q147 VanDerWaalsContact O-CG 3.28Å; T122-Q147 WeakPolarHBondContact O-CG 3.22Å; T124-Q147 HydrophobicContact CG2-CB 3.94Å; S142-Q147 PolarHBondContact OG-OE1 3.29Å; Q147-I153 CarbonylContact O-C 3.55Å; Q147-I153 WeakPolarHBondContact O-CA 3.41Å; Q147-T154 PolarHBondContact N-O 3.31Å; Q147-T154 PolarHBondContact O-N 2.94Å; Q147-T154 PolarHBondContact O-OG1 2.71Å |
| 148 | K | 98.8 | Very high | 98.8 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.8 | 169.5 | -176.9 | -176.3 | 176.4 | -160 | 0 | 109.5 | G150 L152 I153 E171 | K148-G150 WeakPolarHBondContact CE-O 3.45Å; K148-L152 CarbonylContact C-O 3.57Å; K148-L152 WeakPolarHBondContact CA-O 3.25Å; K148-I153 HydrophobicContact CB-CG1 4.18Å; K148-I153 HydrophobicContact CD-CG1 4.4Å; K148-I153 HydrophobicContact CG-CG1 3.91Å; K148-E171 WeakPolarHBondContact CE-OE1 3.26Å; K148-E171 WeakPolarHBondContact CE-OE2 3.01Å; K148-E171 IonicContact NZ-OE1 3.24Å; K148-E171 PolarHBondContact NZ-OE1 2.79Å; K148-E171 IonicContact NZ-OE2 2.83Å; K148-E171 PolarHBondContact NZ-OE2 3.04Å |
| 149 | D | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 108.4 | 169.9 | -169 | -10.3 | 0 | 0 | 0 | 109 | S121 T122 H151 L152 | S121-D149 WeakPolarHBondContact CA-OD2 3.37Å; T122-D149 PolarHBondContact N-OD2 3.08Å; D149-H151 PolarHBondContact O-N 3.09Å; D149-H151 VanDerWaalsContact O-N 3.14Å; D149-L152 PolarHBondContact N-O 3.16Å; D149-L152 PolarHBondContact O-N 2.99Å |
| 150 | G | 98.1 | Very high | 98.8 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 49% | 0.485 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -117.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K148 | K148-G150 WeakPolarHBondContact CE-O 3.45Š|
| 151 | H | 98.4 | Very high | 98.8 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 18.2 | -179.8 | -57.3 | -70.9 | 0 | 0 | 0 | 113.5 | K99 L101 I102 D149 | K99-H151 PolarHBondContact O-CE1 2.99Å; K99-H151 PolarHBondContact O-ND1 3.34Å; K99-H151 VanDerWaalsContact O-ND1 3.14Å; L101-H151 WeakPolarHBondContact CA-O 3.38Å; L101-H151 WeakPolarHBondContact CD1-O 3.03Å; I102-H151 PolarHBondContact N-O 3.35Å; D149-H151 PolarHBondContact O-N 3.09Å; D149-H151 VanDerWaalsContact O-N 3.14Å |
| 152 | L | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.1 | 175.3 | 179.8 | 63.9 | 0 | 0 | 0 | 110.5 | I102 L112 A118 V123 K148 D149 T154 | I102-L152 HydrophobicContact CB-CD1 4.16Å; I102-L152 HydrophobicContact CG2-CD1 4.03Å; I102-L152 WeakPolarHBondContact O-CA 3.29Å; L112-L152 HydrophobicContact CD1-CD1 3.58Å; L112-L152 HydrophobicContact CD1-CD2 4.19Å; A118-L152 HydrophobicContact CB-CD2 3.84Å; V123-L152 HydrophobicContact CG1-CD2 3.65Å; K148-L152 CarbonylContact C-O 3.57Å; K148-L152 WeakPolarHBondContact CA-O 3.25Å; D149-L152 PolarHBondContact N-O 3.16Å; D149-L152 PolarHBondContact O-N 2.99Å; L152-T154 HydrophobicContact CD1-CG2 4.1Å; L152-T154 HydrophobicContact CD2-CG2 4.26Å; L152-T154 HydrophobicContact CG-CG2 4.09Å |
| 153 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.8 | 167.9 | -61.6 | 173.8 | 0 | 0 | 0 | 108.6 | L101 I102 A103 A104 V146 Q147 K148 F164 I168 E171 | L101-I153 HydrophobicContact CD1-CD1 3.98Å; L101-I153 HydrophobicContact CD1-CG1 4.01Å; L101-I153 HydrophobicContact CD2-CD1 4.1Å; I102-I153 PolarHBondContact O-N 2.69Å; A103-I153 CarbonylContact C-O 3.56Å; A103-I153 VanDerWaalsContact CA-O 3.23Å; A103-I153 WeakPolarHBondContact CA-O 3.08Å; A103-I153 HydrophobicContact CB-CB 4.46Å; A104-I153 PolarHBondContact N-O 3.42Å; V146-I153 HydrophobicContact CG1-CG2 3.83Å; Q147-I153 CarbonylContact O-C 3.55Å; Q147-I153 WeakPolarHBondContact O-CA 3.41Å; K148-I153 HydrophobicContact CB-CG1 4.18Å; K148-I153 HydrophobicContact CD-CG1 4.4Å; K148-I153 HydrophobicContact CG-CG1 3.91Å; I153-F164 HydrophobicContact CB-CE2 4.45Å; I153-F164 HydrophobicContact CG2-CD2 3.79Å; I153-F164 HydrophobicContact CG2-CE2 3.79Å; I153-I168 HydrophobicContact CD1-CG1 4.2Å; I153-E171 HydrophobicContact CD1-CB 4.33Å |
| 154 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.2 | 173.3 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | A104 P109 L112 V123 T124 V146 Q147 L152 | A104-T154 CarbonylContact O-C 3.58Å; A104-T154 WeakPolarHBondContact O-CA 3.3Å; P109-T154 HydrophobicContact CB-CG2 4.25Å; P109-T154 HydrophobicContact CG-CG2 3.95Å; L112-T154 HydrophobicContact CD1-CG2 4.38Å; V123-T154 WeakPolarHBondContact CA-OG1 3.02Å; V123-T154 HydrophobicContact CB-CG2 4.27Å; V123-T154 HydrophobicContact CG1-CG2 4.31Å; T124-T154 PolarHBondContact N-OG1 3.04Å; T124-T154 WeakPolarHBondContact O-CB 3.4Å; V146-T154 CarbonylContact C-O 3.58Å; V146-T154 WeakPolarHBondContact CA-O 3.16Å; Q147-T154 PolarHBondContact N-O 3.31Å; Q147-T154 PolarHBondContact O-N 2.94Å; Q147-T154 PolarHBondContact O-OG1 2.71Å; L152-T154 HydrophobicContact CD1-CG2 4.1Å; L152-T154 HydrophobicContact CD2-CG2 4.26Å; L152-T154 HydrophobicContact CG-CG2 4.09Å |
| 155 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170 | 178.3 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | A104 V105 C106 R145 T160 | A104-S155 PolarHBondContact O-N 2.82Å; A104-S155 VanDerWaalsContact O-N 3.11Å; V105-S155 CarbonylContact C-O 3.59Å; V105-S155 WeakPolarHBondContact CA-O 3.46Å; C106-S155 PolarHBondContact N-O 3.04Å; R145-S155 WeakPolarHBondContact O-CA 3.38Å; R145-S155 PolarHBondContact O-OG 3.12Å; S155-T160 VanDerWaalsContact OG-CB 3.25Å; S155-T160 WeakPolarHBondContact OG-CB 3.44Å; S155-T160 PolarHBondContact OG-OG1 3.17Å |
| 156 | R | 98.9 | Very high | 98.8 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 18% | 0.177 | 19% | 0.193 | C | C | . | . | trans | -96.5 | -27.1 | -160.7 | -54.8 | -161.2 | 75.4 | 179.8 | 3.6 | 116.5 | C106 T124 T125 H126 Y141 E143 A144 R145 T160 | C106-R156 WeakPolarHBondContact CA-O 3.28Å; T124-R156 HydrophobicContact CG2-CG 3.73Å; T124-R156 WeakPolarHBondContact OG1-CD 3.39Å; T124-R156 VanDerWaalsContact OG1-CG 3.31Å; T124-R156 WeakPolarHBondContact OG1-CG 3.49Å; T124-R156 PolarHBondContact OG1-NE 3.11Å; T125-R156 PolarHBondContact O-NE 2.83Å; H126-R156 WeakPolarHBondContact CA-O 3.47Å; H126-R156 WeakPolarHBondContact CB-O 3.15Å; H126-R156 PolarHBondContact N-O 2.83Å; Y141-R156 PolarHBondContact OH-NH2 3.49Å; E143-R156 PolarHBondContact O-NH1 3.22Å; A144-R156 VanDerWaalsContact O-CD 3.31Å; A144-R156 WeakPolarHBondContact O-CD 3.35Å; A144-R156 WeakPolarHBondContact O-CG 3.47Å; R145-R156 PolarHBondContact O-N 3.06Å; R156-T160 HydrophobicContact CB-CG2 4.14Å; R156-T160 PolarHBondContact N-OG1 2.72Å; R156-T160 VanDerWaalsContact N-OG1 3.16Å | ||
| 157 | G | 98.6 | Very high | 98.8 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 172.6 | -169 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G159 T160 S161 | G157-G159 VanDerWaalsContact C-N 3.27Å; G157-G159 PolarHBondContact O-N 2.89Å; G157-T160 PolarHBondContact N-OG1 2.98Å; G157-T160 PolarHBondContact O-N 3.08Å; G157-T160 PolarHBondContact O-OG1 3.16Å; G157-S161 PolarHBondContact O-N 3.39Å; G157-S161 PolarHBondContact O-OG 3.17Å |
| 158 | P | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -59.2 | -42 | 180 | -25.6 | 37 | 0 | 0 | 0 | 111.8 | E15 M17 E18 T160 S161 | E15-P158 HydrophobicContact CG-CG 4.2Å; M17-P158 HydrophobicContact CB-CB 4.27Å; M17-P158 HydrophobicContact CE-CB 3.5Å; M17-P158 HydrophobicContact CE-CG 3.86Å; M17-P158 HydrophobicContact SD-CB 4.19Å; E18-P158 HydrophobicContact CG-CG 4.19Å; E18-P158 WeakPolarHBondContact OE1-CD 3.4Å; E18-P158 WeakPolarHBondContact OE1-CG 3.36Å; P158-T160 PolarHBondContact O-N 2.93Å; P158-T160 VanDerWaalsContact O-N 3.09Å; P158-S161 VanDerWaalsContact O-CB 3.32Å; P158-S161 WeakPolarHBondContact O-CB 3.25Å; P158-S161 PolarHBondContact O-N 2.78Å; P158-S161 VanDerWaalsContact O-N 3.08Å; P158-S161 PolarHBondContact O-OG 2.82Å |
| 159 | G | 98.6 | Very high | 98.8 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 65% | 0.649 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -67.2 | -7.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R145 G157 | R145-G159 PolarHBondContact NH2-O 2.82Å; G157-G159 VanDerWaalsContact C-N 3.27Å; G157-G159 PolarHBondContact O-N 2.89Å |
| 160 | T | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -113.9 | 4.4 | 174.5 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | R145 S155 R156 G157 P158 F162 E163 F164 | R145-T160 HydrophobicContact CB-CG2 3.87Å; R145-T160 HydrophobicContact CG-CG2 4.22Å; S155-T160 VanDerWaalsContact OG-CB 3.25Å; S155-T160 WeakPolarHBondContact OG-CB 3.44Å; S155-T160 PolarHBondContact OG-OG1 3.17Å; R156-T160 HydrophobicContact CB-CG2 4.14Å; R156-T160 PolarHBondContact N-OG1 2.72Å; R156-T160 VanDerWaalsContact N-OG1 3.16Å; G157-T160 PolarHBondContact N-OG1 2.98Å; G157-T160 PolarHBondContact O-N 3.08Å; G157-T160 PolarHBondContact O-OG1 3.16Å; P158-T160 PolarHBondContact O-N 2.93Å; P158-T160 VanDerWaalsContact O-N 3.09Å; T160-F162 PolarHBondContact O-N 3.31Å; T160-E163 PolarHBondContact O-N 2.77Å; T160-F164 WeakPolarHBondContact O-CB 3.47Å; T160-F164 PolarHBondContact O-N 2.97Å |
| 161 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -31.8 | -170.1 | -69.7 | 0 | 0 | 0 | 0 | 113.8 | G157 P158 A165 | G157-S161 PolarHBondContact O-N 3.39Å; G157-S161 PolarHBondContact O-OG 3.17Å; P158-S161 VanDerWaalsContact O-CB 3.32Å; P158-S161 WeakPolarHBondContact O-CB 3.25Å; P158-S161 PolarHBondContact O-N 2.78Å; P158-S161 VanDerWaalsContact O-N 3.08Å; P158-S161 PolarHBondContact O-OG 2.82Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.28Å; S161-A165 PolarHBondContact O-N 3.43Å |
| 162 | F | 98.9 | Very high | 98.8 | Very high | 73 Ų | 73 | 27 Ų | 27 | 32% | 0.32 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.7 | -46 | 174.3 | -76.9 | -75.8 | 0 | 0 | 0 | 112.4 | I21 V25 T160 F164 A165 L166 L185 L187 | I21-F162 HydrophobicContact CD1-CD2 4.22Å; I21-F162 HydrophobicContact CD1-CE2 3.81Å; I21-F162 HydrophobicContact CD1-CZ 4.21Å; I21-F162 HydrophobicContact CG1-CE2 4.21Å; I21-F162 HydrophobicContact CG1-CZ 4.09Å; I21-F162 HydrophobicContact CG2-CB 4.5Å; I21-F162 HydrophobicContact CG2-CD1 3.61Å; I21-F162 HydrophobicContact CG2-CD2 4.12Å; I21-F162 HydrophobicContact CG2-CE1 3.73Å; I21-F162 HydrophobicContact CG2-CE2 4.22Å; I21-F162 HydrophobicContact CG2-CG 3.82Å; I21-F162 HydrophobicContact CG2-CZ 4.04Å; V25-F162 HydrophobicContact CG2-CD1 4.07Å; V25-F162 HydrophobicContact CG2-CE1 4.25Å; T160-F162 PolarHBondContact O-N 3.31Å; F162-F164 VanDerWaalsContact C-N 3.3Å; F162-F164 PolarHBondContact O-N 3.45Å; F162-A165 PolarHBondContact O-N 3.47Å; F162-L166 WeakPolarHBondContact O-CB 3.4Å; F162-L166 VanDerWaalsContact O-CG 3.3Å; F162-L166 WeakPolarHBondContact O-CG 3.31Å; F162-L166 PolarHBondContact O-N 2.67Å; F162-L185 HydrophobicContact CD1-CD1 4.1Å; F162-L185 HydrophobicContact CE1-CD1 4.36Å; F162-L187 HydrophobicContact CB-CD1 3.82Å; F162-L187 HydrophobicContact CB-CD2 4.02Å; F162-L187 HydrophobicContact CD1-CD1 4.35Å; F162-L187 HydrophobicContact CD1-CD2 4.12Å; F162-L187 HydrophobicContact CD2-CD2 3.9Å; F162-L187 HydrophobicContact CE2-CD2 4.39Å; F162-L187 HydrophobicContact CG-CD1 4.22Å; F162-L187 HydrophobicContact CG-CD2 3.75Å |
| 163 | E | 98.9 | Very high | 98.8 | Very high | 76 Ų | 76 | 30 Ų | 30 | 36% | 0.355 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.1 | -72 | 153.6 | -97.2 | 0 | 0 | 111.2 | R145 V146 T160 L166 A167 | R145-E163 WeakPolarHBondContact CD-OE2 3.38Å; R145-E163 IonicContact CZ-OE1 3.06Å; R145-E163 VanDerWaalsContact CZ-OE1 3.24Å; R145-E163 IonicContact CZ-OE2 3.27Å; R145-E163 VanDerWaalsContact NE-CD 3.31Å; R145-E163 IonicContact NE-OE1 3.86Å; R145-E163 PolarHBondContact NE-OE1 3.48Å; R145-E163 IonicContact NE-OE2 2.77Å; R145-E163 PolarHBondContact NE-OE2 3.18Å; R145-E163 IonicContact NH2-OE1 3.74Å; R145-E163 PolarHBondContact NH2-OE1 3.26Å; R145-E163 IonicContact NH2-OE2 2.56Å; V146-E163 HydrophobicContact CG2-CB 3.66Å; T160-E163 PolarHBondContact O-N 2.77Å; E163-L166 PolarHBondContact O-N 2.73Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 3.36Å |
| 164 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 175.6 | 173.1 | -120.2 | 0 | 0 | 0 | 112 | P22 L71 A103 V105 V146 I153 T160 F162 A167 I168 | P22-F164 HydrophobicContact CG-CD1 4Å; P22-F164 HydrophobicContact CG-CE1 4.17Å; L71-F164 HydrophobicContact CD1-CE1 3.86Å; L71-F164 HydrophobicContact CD1-CZ 4.25Å; L71-F164 HydrophobicContact CD2-CE1 4.44Å; L71-F164 HydrophobicContact CG-CE1 4.14Å; L71-F164 HydrophobicContact CG-CZ 4.25Å; A103-F164 HydrophobicContact CB-CE2 3.85Å; A103-F164 HydrophobicContact CB-CZ 3.62Å; V105-F164 HydrophobicContact CB-CD1 4.03Å; V105-F164 HydrophobicContact CB-CE1 3.84Å; V105-F164 HydrophobicContact CB-CG 4.49Å; V105-F164 HydrophobicContact CB-CZ 4.15Å; V105-F164 HydrophobicContact CG1-CD1 4.32Å; V105-F164 HydrophobicContact CG1-CE1 3.93Å; V105-F164 HydrophobicContact CG2-CD1 4.45Å; V146-F164 HydrophobicContact CG2-CB 4.34Å; I153-F164 HydrophobicContact CB-CE2 4.45Å; I153-F164 HydrophobicContact CG2-CD2 3.79Å; I153-F164 HydrophobicContact CG2-CE2 3.79Å; T160-F164 WeakPolarHBondContact O-CB 3.47Å; T160-F164 PolarHBondContact O-N 2.97Å; F162-F164 VanDerWaalsContact C-N 3.3Å; F162-F164 PolarHBondContact O-N 3.45Å; F164-A167 PolarHBondContact O-N 3.36Å; F164-I168 HydrophobicContact CD1-CD1 4.29Å; F164-I168 HydrophobicContact CD2-CD1 4.35Å; F164-I168 HydrophobicContact CE1-CD1 3.91Å; F164-I168 HydrophobicContact CE2-CD1 3.98Å; F164-I168 HydrophobicContact CE2-CG1 4.5Å; F164-I168 HydrophobicContact CZ-CD1 3.75Å; F164-I168 WeakPolarHBondContact O-CG1 3.37Å; F164-I168 PolarHBondContact O-N 3.25Å; F164-I168 VanDerWaalsContact O-N 3.16Å |
| 165 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P22 V25 S161 F162 A167 I168 V169 | P22-A165 HydrophobicContact CB-CB 4.09Å; P22-A165 HydrophobicContact CG-CB 4.32Å; V25-A165 HydrophobicContact CB-CB 3.73Å; V25-A165 HydrophobicContact CG1-CB 3.69Å; V25-A165 HydrophobicContact CG2-CB 4.17Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.28Å; S161-A165 PolarHBondContact O-N 3.43Å; F162-A165 PolarHBondContact O-N 3.47Å; A165-A167 VanDerWaalsContact C-N 3.35Å; A165-I168 WeakPolarHBondContact O-CB 3.44Å; A165-I168 PolarHBondContact O-N 3.01Å; A165-V169 WeakPolarHBondContact O-CG2 2.99Å; A165-V169 PolarHBondContact O-N 3.41Å |
| 166 | L | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 176.8 | -72.3 | 169.9 | 0 | 0 | 0 | 112.2 | V25 F162 E163 I168 V169 E170 V181 K182 L187 | V25-L166 HydrophobicContact CG1-CD2 4.08Å; V25-L166 HydrophobicContact CG1-CG 4.38Å; F162-L166 WeakPolarHBondContact O-CB 3.4Å; F162-L166 VanDerWaalsContact O-CG 3.3Å; F162-L166 WeakPolarHBondContact O-CG 3.31Å; F162-L166 PolarHBondContact O-N 2.67Å; E163-L166 PolarHBondContact O-N 2.73Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.1Å; L166-V169 PolarHBondContact O-N 3.14Å; L166-E170 WeakPolarHBondContact O-CB 3.48Å; L166-E170 PolarHBondContact O-N 3.13Å; L166-V181 HydrophobicContact CD2-CB 4.46Å; L166-V181 HydrophobicContact CD2-CG1 4.19Å; L166-K182 HydrophobicContact CD1-CB 3.92Å; L166-K182 HydrophobicContact CD1-CD 4.1Å; L166-K182 HydrophobicContact CD1-CG 3.86Å; L166-K182 HydrophobicContact CD2-CB 4.01Å; L166-L187 HydrophobicContact CD1-CD1 3.85Å |
| 167 | A | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V146 E163 F164 A165 E171 | V146-A167 HydrophobicContact CG1-CB 3.92Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 3.36Å; F164-A167 PolarHBondContact O-N 3.36Å; A165-A167 VanDerWaalsContact C-N 3.35Å; A167-E171 WeakPolarHBondContact O-CB 3.46Å; A167-E171 PolarHBondContact O-N 2.97Å; A167-E171 VanDerWaalsContact O-N 3.07Å |
| 168 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 172.8 | -62.8 | 162.6 | 0 | 0 | 0 | 110.5 | M26 V69 L71 L101 A103 I153 F164 A165 L166 E171 L172 | M26-I168 HydrophobicContact CG-CG2 4.38Å; M26-I168 HydrophobicContact SD-CG2 3.84Å; V69-I168 HydrophobicContact CG1-CG2 4.14Å; V69-I168 HydrophobicContact CG2-CG2 4.28Å; L71-I168 HydrophobicContact CD1-CD1 3.72Å; L101-I168 HydrophobicContact CD2-CG2 4.36Å; A103-I168 HydrophobicContact CB-CD1 3.66Å; A103-I168 HydrophobicContact CB-CG1 4Å; I153-I168 HydrophobicContact CD1-CG1 4.2Å; F164-I168 HydrophobicContact CD1-CD1 4.29Å; F164-I168 HydrophobicContact CD2-CD1 4.35Å; F164-I168 HydrophobicContact CE1-CD1 3.91Å; F164-I168 HydrophobicContact CE2-CD1 3.98Å; F164-I168 HydrophobicContact CE2-CG1 4.5Å; F164-I168 HydrophobicContact CZ-CD1 3.75Å; F164-I168 WeakPolarHBondContact O-CG1 3.37Å; F164-I168 PolarHBondContact O-N 3.25Å; F164-I168 VanDerWaalsContact O-N 3.16Å; A165-I168 WeakPolarHBondContact O-CB 3.44Å; A165-I168 PolarHBondContact O-N 3.01Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.1Å; I168-E171 PolarHBondContact O-N 2.86Å; I168-L172 HydrophobicContact CG2-CD1 4.09Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.14Å; I168-L172 VanDerWaalsContact O-N 3.1Å |
| 169 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 177.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | V25 M26 A29 I31 A165 L166 E171 L172 M173 V177 A178 | V25-V169 HydrophobicContact CG1-CG2 4.06Å; M26-V169 HydrophobicContact CG-CG2 4.39Å; A29-V169 HydrophobicContact CB-CB 4.25Å; A29-V169 HydrophobicContact CB-CG1 3.53Å; A29-V169 HydrophobicContact CB-CG2 3.64Å; I31-V169 HydrophobicContact CD1-CG2 4.23Å; A165-V169 WeakPolarHBondContact O-CG2 2.99Å; A165-V169 PolarHBondContact O-N 3.41Å; L166-V169 PolarHBondContact O-N 3.14Å; V169-E171 VanDerWaalsContact C-N 3.3Å; V169-E171 PolarHBondContact O-N 3.46Å; V169-L172 PolarHBondContact O-N 2.83Å; V169-M173 HydrophobicContact CG1-CB 4.32Å; V169-M173 WeakPolarHBondContact O-CA 3.46Å; V169-M173 VanDerWaalsContact O-CB 3.27Å; V169-M173 WeakPolarHBondContact O-CB 3.39Å; V169-M173 PolarHBondContact O-N 3.18Å; V169-V177 HydrophobicContact CG1-CG1 4.13Å; V169-A178 HydrophobicContact CG1-CB 4.03Å |
| 170 | E | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177 | -179.1 | 173.4 | 165.3 | 0 | 0 | 111.4 | L166 L172 G174 P175 A178 | L166-E170 WeakPolarHBondContact O-CB 3.48Å; L166-E170 PolarHBondContact O-N 3.13Å; E170-L172 PolarHBondContact O-N 3.49Å; E170-G174 CarbonylContact O-C 3.57Å; E170-G174 WeakPolarHBondContact O-CA 3.19Å; E170-G174 PolarHBondContact O-N 3.34Å; E170-P175 HydrophobicContact CG-CB 4.2Å; E170-A178 HydrophobicContact CB-CB 3.85Å |
| 171 | E | 98.6 | Very high | 98.7 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.7 | -173.2 | 62.6 | 178.1 | 0 | 0 | 113.3 | L101 K148 I153 A167 I168 V169 | L101-E171 HydrophobicContact CD1-CG 4.2Å; L101-E171 HydrophobicContact CD2-CB 4.13Å; L101-E171 HydrophobicContact CD2-CG 3.82Å; K148-E171 WeakPolarHBondContact CE-OE1 3.26Å; K148-E171 WeakPolarHBondContact CE-OE2 3.01Å; K148-E171 IonicContact NZ-OE1 3.24Å; K148-E171 PolarHBondContact NZ-OE1 2.79Å; K148-E171 IonicContact NZ-OE2 2.83Å; K148-E171 PolarHBondContact NZ-OE2 3.04Å; I153-E171 HydrophobicContact CD1-CB 4.33Å; A167-E171 WeakPolarHBondContact O-CB 3.46Å; A167-E171 PolarHBondContact O-N 2.97Å; A167-E171 VanDerWaalsContact O-N 3.07Å; I168-E171 PolarHBondContact O-N 2.86Å; V169-E171 VanDerWaalsContact C-N 3.3Å; V169-E171 PolarHBondContact O-N 3.46Å |
| 172 | L | 98.4 | Very high | 98.6 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -92.6 | -31.5 | -173.7 | -64.7 | -174.7 | 0 | 0 | 0 | 113.9 | K4 I31 D68 V69 L101 I168 V169 E170 | K4-L172 WeakPolarHBondContact CE-O 3.2Å; K4-L172 HydrophobicContact CG-CB 4.34Å; I31-L172 HydrophobicContact CD1-CB 4.42Å; I31-L172 HydrophobicContact CD1-CD1 4.11Å; D68-L172 HydrophobicContact CB-CD1 4.21Å; D68-L172 HydrophobicContact CB-CD2 3.91Å; V69-L172 HydrophobicContact CB-CD1 4.02Å; V69-L172 HydrophobicContact CG1-CD1 3.67Å; L101-L172 HydrophobicContact CD2-CD2 4.08Å; L101-L172 HydrophobicContact CD2-CG 4.24Å; I168-L172 HydrophobicContact CG2-CD1 4.09Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.14Å; I168-L172 VanDerWaalsContact O-N 3.1Å; V169-L172 PolarHBondContact O-N 2.83Å; E170-L172 PolarHBondContact O-N 3.49Å |
| 173 | M | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 49.7 Ų | 49.7 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -121.7 | -8.8 | -169 | -54.4 | -59.4 | -63.5 | 0 | 0 | 113.2 | K4 A29 I31 V169 V177 | K4-M173 HydrophobicContact CB-SD 3.84Å; K4-M173 HydrophobicContact CG-SD 3.43Å; K4-M173 WeakPolarHBondContact CG-SD 3.31Å; A29-M173 HydrophobicContact CB-CG 4.42Å; I31-M173 HydrophobicContact CD1-CG 4.02Å; I31-M173 HydrophobicContact CG1-CG 3.93Å; I31-M173 HydrophobicContact CG1-SD 4.02Å; V169-M173 HydrophobicContact CG1-CB 4.32Å; V169-M173 WeakPolarHBondContact O-CA 3.46Å; V169-M173 VanDerWaalsContact O-CB 3.27Å; V169-M173 WeakPolarHBondContact O-CB 3.39Å; V169-M173 PolarHBondContact O-N 3.18Å; M173-V177 HydrophobicContact CB-CB 3.8Å; M173-V177 HydrophobicContact CB-CG1 3.77Å; M173-V177 HydrophobicContact CB-CG2 4.13Å; M173-V177 HydrophobicContact CG-CG1 4.43Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å |
| 174 | G | 98.4 | Very high | 98.6 | Very high | 22 Ų | 22 | 50 Ų | 50 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | trans | 89.6 | 162 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E170 E176 V177 A178 | E170-G174 CarbonylContact O-C 3.57Å; E170-G174 WeakPolarHBondContact O-CA 3.19Å; E170-G174 PolarHBondContact O-N 3.34Å; G174-E176 VanDerWaalsContact C-N 3.31Å; G174-E176 PolarHBondContact O-N 3.02Å; G174-V177 PolarHBondContact O-N 3.45Å; G174-A178 PolarHBondContact O-N 3.1Å; G174-A178 VanDerWaalsContact O-N 3.16Å | ||
| 175 | P | 98.3 | Very high | 98.6 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -30 | -173.6 | 25.2 | -34.9 | 0 | 0 | 0 | 113.6 | E170 A178 A179 | E170-P175 HydrophobicContact CG-CB 4.2Å; P175-A178 PolarHBondContact O-N 3.49Å; P175-A179 WeakPolarHBondContact O-CB 3.48Å; P175-A179 PolarHBondContact O-N 2.81Å |
| 176 | E | 98.4 | Very high | 98.5 | Very high | 163 Ų | 163 | 57.9 Ų | 57.9 | 76% | 0.762 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 177.8 | -64.4 | -177.9 | 179.9 | 0 | 0 | 112.1 | G174 A179 T180 | G174-E176 VanDerWaalsContact C-N 3.31Å; G174-E176 PolarHBondContact O-N 3.02Å; E176-A179 PolarHBondContact O-N 2.92Å; E176-T180 WeakPolarHBondContact O-CB 3.32Å; E176-T180 PolarHBondContact O-N 2.99Å; E176-T180 PolarHBondContact O-OG1 3.25Å |
| 177 | V | 98.4 | Very high | 98.5 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 176 | 177.7 | 0 | 0 | 0 | 0 | 110 | A29 V169 M173 G174 A179 T180 V181 | A29-V177 HydrophobicContact CB-CG1 4.11Å; V169-V177 HydrophobicContact CG1-CG1 4.13Å; M173-V177 HydrophobicContact CB-CB 3.8Å; M173-V177 HydrophobicContact CB-CG1 3.77Å; M173-V177 HydrophobicContact CB-CG2 4.13Å; M173-V177 HydrophobicContact CG-CG1 4.43Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å; G174-V177 PolarHBondContact O-N 3.45Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 3.35Å; V177-T180 PolarHBondContact O-N 3.28Å; V177-V181 HydrophobicContact CG1-CG2 4.27Å; V177-V181 WeakPolarHBondContact O-CB 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.39Å; V177-V181 PolarHBondContact O-N 3.38Å |
| 178 | A | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V169 E170 G174 P175 V181 K182 | V169-A178 HydrophobicContact CG1-CB 4.03Å; E170-A178 HydrophobicContact CB-CB 3.85Å; G174-A178 PolarHBondContact O-N 3.1Å; G174-A178 VanDerWaalsContact O-N 3.16Å; P175-A178 PolarHBondContact O-N 3.49Å; A178-V181 PolarHBondContact O-N 3.39Å; A178-K182 VanDerWaalsContact O-CB 3.29Å; A178-K182 WeakPolarHBondContact O-CB 3.48Å; A178-K182 PolarHBondContact O-N 3.16Å |
| 179 | A | 98.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P175 E176 V177 V181 K182 A183 | P175-A179 WeakPolarHBondContact O-CB 3.48Å; P175-A179 PolarHBondContact O-N 2.81Å; E176-A179 PolarHBondContact O-N 2.92Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 3.35Å; A179-V181 VanDerWaalsContact C-N 3.33Å; A179-V181 PolarHBondContact O-N 3.02Å; A179-K182 PolarHBondContact O-N 3.2Å; A179-A183 PolarHBondContact O-N 3.4Å |
| 180 | T | 98.5 | Very high | 97.4 | Very high | 102 Ų | 102 | 80.9 Ų | 80.9 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | E176 V177 P184 | E176-T180 WeakPolarHBondContact O-CB 3.32Å; E176-T180 PolarHBondContact O-N 2.99Å; E176-T180 PolarHBondContact O-OG1 3.25Å; V177-T180 PolarHBondContact O-N 3.28Å; T180-P184 WeakPolarHBondContact O-CD 3.25Å |
| 181 | V | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 79.7 Ų | 79.7 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.4 | V25 R28 A29 L166 V177 A178 A179 P184 L185 | V25-V181 HydrophobicContact CG1-CG1 3.98Å; R28-V181 HydrophobicContact CB-CG1 3.91Å; R28-V181 HydrophobicContact CB-CG2 4.39Å; A29-V181 HydrophobicContact CB-CG2 3.93Å; L166-V181 HydrophobicContact CD2-CB 4.46Å; L166-V181 HydrophobicContact CD2-CG1 4.19Å; V177-V181 HydrophobicContact CG1-CG2 4.27Å; V177-V181 WeakPolarHBondContact O-CB 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.39Å; V177-V181 PolarHBondContact O-N 3.38Å; A178-V181 PolarHBondContact O-N 3.39Å; A179-V181 VanDerWaalsContact C-N 3.33Å; A179-V181 PolarHBondContact O-N 3.02Å; V181-P184 VanDerWaalsContact O-CD 3.3Å; V181-P184 WeakPolarHBondContact O-CD 3.32Å; V181-P184 WeakPolarHBondContact O-CG 3.34Å; V181-L185 WeakPolarHBondContact O-CG 3.06Å |
| 182 | K | 98.7 | Very high | 97.3 | Very high | 76 Ų | 76 | 79.9 Ų | 79.9 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 178.9 | -179.3 | 179.8 | 176.1 | -170.1 | 0 | 112.3 | L166 A178 A179 L185 L187 | L166-K182 HydrophobicContact CD1-CB 3.92Å; L166-K182 HydrophobicContact CD1-CD 4.1Å; L166-K182 HydrophobicContact CD1-CG 3.86Å; L166-K182 HydrophobicContact CD2-CB 4.01Å; A178-K182 VanDerWaalsContact O-CB 3.29Å; A178-K182 WeakPolarHBondContact O-CB 3.48Å; A178-K182 PolarHBondContact O-N 3.16Å; A179-K182 PolarHBondContact O-N 3.2Å; K182-L185 WeakPolarHBondContact O-CB 3.47Å; K182-L185 PolarHBondContact O-N 2.82Å; K182-L187 HydrophobicContact CG-CD1 4.29Å |
| 183 | A | 98.3 | Very high | 97.2 | Very high | 79 Ų | 79 | 83.1 Ų | 83.1 | 65% | 0.653 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -50.6 | -49.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A179 L185 | A179-A183 PolarHBondContact O-N 3.4Å; A183-L185 VanDerWaalsContact C-N 3.27Å; A183-L185 PolarHBondContact O-N 3.13Å |
| 184 | P | 98.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 84.2 Ų | 84.2 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -76.6 | -3.4 | 178.9 | 31.5 | -38.4 | 0 | 0 | 0 | 114.9 | T180 V181 V186 | T180-P184 WeakPolarHBondContact O-CD 3.25Å; V181-P184 VanDerWaalsContact O-CD 3.3Å; V181-P184 WeakPolarHBondContact O-CD 3.32Å; V181-P184 WeakPolarHBondContact O-CG 3.34Å; P184-V186 VanDerWaalsContact C-N 3.32Å |
| 185 | L | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 88.3 Ų | 88.3 | 17% | 0.168 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -82.4 | -8.7 | 179.7 | -60 | 177.2 | 0 | 0 | 0 | 113.4 | V25 F162 V181 K182 A183 L187 | V25-L185 HydrophobicContact CG2-CD1 4.07Å; F162-L185 HydrophobicContact CD1-CD1 4.1Å; F162-L185 HydrophobicContact CE1-CD1 4.36Å; V181-L185 WeakPolarHBondContact O-CG 3.06Å; K182-L185 WeakPolarHBondContact O-CB 3.47Å; K182-L185 PolarHBondContact O-N 2.82Å; A183-L185 VanDerWaalsContact C-N 3.27Å; A183-L185 PolarHBondContact O-N 3.13Å; L185-L187 HydrophobicContact CB-CD1 4.36Å; L185-L187 HydrophobicContact CB-CG 3.96Å; L185-L187 HydrophobicContact CD1-CD1 4.38Å; L185-L187 PolarHBondContact O-N 3.33Å |
| 186 | V | 98.1 | Very high | 97 | Very high | 134 Ų | 134 | 88.7 Ų | 88.7 | 81% | 0.812 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.8 | 178.4 | -158.5 | 0 | 0 | 0 | 0 | 111.8 | P184 | P184-V186 VanDerWaalsContact C-N 3.32Š|
| 187 | L | 97.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 83 Ų | 83 | 26% | 0.262 | 48% | 0.479 | S | S | . | . | trans | -71.8 | 149.7 | 174.1 | -64.4 | 177.1 | 0 | 0 | 0 | 109.8 | F162 L166 K182 L185 | F162-L187 HydrophobicContact CB-CD1 3.82Å; F162-L187 HydrophobicContact CB-CD2 4.02Å; F162-L187 HydrophobicContact CD1-CD1 4.35Å; F162-L187 HydrophobicContact CD1-CD2 4.12Å; F162-L187 HydrophobicContact CD2-CD2 3.9Å; F162-L187 HydrophobicContact CE2-CD2 4.39Å; F162-L187 HydrophobicContact CG-CD1 4.22Å; F162-L187 HydrophobicContact CG-CD2 3.75Å; L166-L187 HydrophobicContact CD1-CD1 3.85Å; K182-L187 HydrophobicContact CG-CD1 4.29Å; L185-L187 HydrophobicContact CB-CD1 4.36Å; L185-L187 HydrophobicContact CB-CG 3.96Å; L185-L187 HydrophobicContact CD1-CD1 4.38Å; L185-L187 PolarHBondContact O-N 3.33Å | ||
| 188 | K | 96 | Very high | 96.7 | Very high | 199 Ų | 199 | 85.8 Ų | 85.8 | 87% | 0.865 | 49% | 0.494 | S | S | * | . | trans | -67.9 | 135.9 | 169.8 | -171.9 | 176.4 | 179.1 | 179.4 | 0 | 109.4 | ||||
| 189 | D | 81.1 | Confident | 96.6 | Very high | 198 Ų | 198 | 93 Ų | 93 | 100% | 1.059 | 53% | 0.534 | S | S | * | . | trans | -69.7 | 0 | 173.9 | -68.1 | -39.7 | 0 | 0 | 0 | 113 |
Retrieved 189 of 189 residues in 865.7 ms
(Link to these results)