| 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 | 73.2 | Confident | 92.5 | Very high | 153 Ų | 153 | 68.4 Ų | 68.4 | 75% | 0.754 | 39% | 0.389 | S | S | * | . | 0 | 140.8 | 0 | -90.6 | 179.1 | -103.6 | 0 | 0 | 109.4 | K42 K45 E46 | M1-K42 WeakPolarHBondContact O-CG 3.47Å; M1-K45 HydrophobicContact CB-CD 4.48Å; M1-E46 PolarHBondContact N-OE1 2.82Å | |||
| 2 | S | 87.3 | Confident | 92.8 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | trans | -73.2 | 158.1 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | K45 | S2-K45 WeakPolarHBondContact O-CE 3.41Å; S2-K45 PolarHBondContact O-NZ 3.2Å | ||
| 3 | L | 94 | Very high | 93 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | trans | -62.6 | 153.4 | 168.4 | -53.1 | -176.4 | 0 | 0 | 0 | 110.1 | V5 F25 L41 K45 F55 H57 | L3-V5 PolarHBondContact O-N 3.44Å; L3-F25 HydrophobicContact CD1-CD1 4.25Å; L3-L41 HydrophobicContact CD1-CB 4.05Å; L3-L41 HydrophobicContact CD1-CD1 4.47Å; L3-L41 HydrophobicContact CD2-CB 4.15Å; L3-K45 HydrophobicContact CD2-CB 4.45Å; L3-K45 HydrophobicContact CD2-CD 4.1Å; L3-F55 HydrophobicContact CD2-CB 3.74Å; L3-F55 HydrophobicContact CD2-CG 4.49Å; L3-H57 HydrophobicContact CB-CB 3.8Å; L3-H57 HydrophobicContact CD1-CB 3.94Å | ||
| 4 | L | 96.2 | Very high | 93 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 113.4 | 172.7 | 175.5 | 62.9 | 0 | 0 | 0 | 108.4 | V6 L15 L54 F55 V56 H57 | L4-V6 HydrophobicContact CD2-CG2 4.47Å; L4-V6 HydrophobicContact CG-CG2 4.24Å; L4-L15 HydrophobicContact CD2-CD1 4.08Å; L4-L54 HydrophobicContact CD2-CD1 4.26Å; L4-L54 HydrophobicContact CD2-CD2 4.15Å; L4-F55 PolarHBondContact N-O 3.02Å; L4-V56 HydrophobicContact CB-CG2 4.33Å; L4-V56 HydrophobicContact CD2-CG2 4.18Å; L4-V56 CarbonylContact O-C 3.6Å; L4-V56 VanDerWaalsContact O-CA 3.27Å; L4-V56 WeakPolarHBondContact O-CA 3.38Å; L4-H57 PolarHBondContact O-N 3.02Å |
| 5 | V | 96.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.2 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | L3 H57 | L3-V5 PolarHBondContact O-N 3.44Å; V5-H57 WeakPolarHBondContact CA-O 3.39Å |
| 6 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.6 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | L4 E11 L12 L15 V56 H57 V58 | L4-V6 HydrophobicContact CD2-CG2 4.47Å; L4-V6 HydrophobicContact CG-CG2 4.24Å; V6-E11 HydrophobicContact CG1-CB 3.97Å; V6-E11 HydrophobicContact CG1-CG 3.97Å; V6-E11 HydrophobicContact CG2-CG 4.36Å; V6-L12 HydrophobicContact CG1-CB 3.93Å; V6-L15 HydrophobicContact CG2-CD1 3.65Å; V6-V56 HydrophobicContact CB-CG1 3.96Å; V6-V56 HydrophobicContact CG2-CG1 3.56Å; V6-H57 PolarHBondContact N-O 3.46Å; V6-V58 HydrophobicContact CB-CG2 4.33Å |
| 7 | N | 94 | Very high | 93 | Very high | 102 Ų | 102 | 68.9 Ų | 68.9 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | trans | -113.7 | 4.5 | -176.7 | -63.8 | -44.9 | 0 | 0 | 0 | 113.1 | V62 | N7-V62 HydrophobicContact CB-CG1 4.1Å; N7-V62 WeakPolarHBondContact O-CG1 3.24Å | ||
| 8 | A | 95 | Very high | 92.6 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | trans | -126.8 | 127.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | I10 E11 L12 | A8-I10 PolarHBondContact O-N 3.48Å; A8-E11 HydrophobicContact CB-CB 4.19Å; A8-E11 WeakPolarHBondContact O-CB 3.35Å; A8-E11 PolarHBondContact O-N 3.27Å; A8-E11 VanDerWaalsContact O-N 3.08Å; A8-L12 PolarHBondContact O-N 3.36Å; A8-L12 VanDerWaalsContact O-N 3.08Å | ||
| 9 | G | 94.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 71.2 Ų | 71.2 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L12 R13 V66 | G9-L12 PolarHBondContact O-N 3.11Å; G9-R13 WeakPolarHBondContact O-CB 3.44Å; G9-R13 WeakPolarHBondContact O-CG 3.41Å; G9-R13 PolarHBondContact O-N 3Å; G9-R13 PolarHBondContact O-NE 3.23Å; G9-V66 VanDerWaalsContact CA-CG2 3.45Å |
| 10 | I | 94.8 | Very high | 92.1 | Very high | 136 Ų | 136 | 71.9 Ų | 71.9 | 70% | 0.697 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 175.4 | -63.3 | 171.9 | 0 | 0 | 0 | 111 | A8 R14 | A8-I10 PolarHBondContact O-N 3.48Å; I10-R14 WeakPolarHBondContact O-CB 3.36Å; I10-R14 PolarHBondContact O-N 3.14Å |
| 11 | E | 95.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 178.8 | -179.6 | 174.7 | -159 | 0 | 0 | 111 | V6 A8 R13 R14 L15 | V6-E11 HydrophobicContact CG1-CB 3.97Å; V6-E11 HydrophobicContact CG1-CG 3.97Å; V6-E11 HydrophobicContact CG2-CG 4.36Å; A8-E11 HydrophobicContact CB-CB 4.19Å; A8-E11 WeakPolarHBondContact O-CB 3.35Å; A8-E11 PolarHBondContact O-N 3.27Å; A8-E11 VanDerWaalsContact O-N 3.08Å; E11-R13 PolarHBondContact O-N 3.26Å; E11-R14 WeakPolarHBondContact O-CB 3.41Å; E11-R14 PolarHBondContact O-N 3.4Å; E11-R14 VanDerWaalsContact O-N 3.15Å; E11-L15 HydrophobicContact CG-CD1 4.32Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.9Å |
| 12 | L | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | 179.6 | 55.5 | 0 | 0 | 0 | 111.8 | V6 A8 G9 R14 L15 I16 V24 F26 V56 V58 V63 V66 | V6-L12 HydrophobicContact CG1-CB 3.93Å; A8-L12 PolarHBondContact O-N 3.36Å; A8-L12 VanDerWaalsContact O-N 3.08Å; G9-L12 PolarHBondContact O-N 3.11Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-L15 PolarHBondContact O-N 3.34Å; L12-I16 HydrophobicContact CD1-CD1 4.1Å; L12-I16 HydrophobicContact CD1-CG1 4.29Å; L12-I16 HydrophobicContact CG-CD1 4.03Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.29Å; L12-V24 HydrophobicContact CD1-CG1 3.77Å; L12-V24 HydrophobicContact CD1-CG2 4.12Å; L12-F26 HydrophobicContact CD2-CE1 4.09Å; L12-F26 HydrophobicContact CD2-CZ 3.9Å; L12-V56 HydrophobicContact CD1-CG1 4.43Å; L12-V58 HydrophobicContact CD1-CG2 4.27Å; L12-V58 HydrophobicContact CD2-CG1 4.32Å; L12-V58 HydrophobicContact CD2-CG2 4.21Å; L12-V63 HydrophobicContact CD2-CG2 4.17Å; L12-V66 HydrophobicContact CD2-CB 4.2Å; L12-V66 HydrophobicContact CD2-CG1 3.58Å; L12-V66 HydrophobicContact CG-CG1 4.11Å |
| 13 | R | 94.5 | Very high | 93.8 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 175.5 | -76 | -179 | -80.9 | -118.1 | 4.5 | 112.3 | G9 E11 K17 E65 V66 | G9-R13 WeakPolarHBondContact O-CB 3.44Å; G9-R13 WeakPolarHBondContact O-CG 3.41Å; G9-R13 PolarHBondContact O-N 3Å; G9-R13 PolarHBondContact O-NE 3.23Å; E11-R13 PolarHBondContact O-N 3.26Å; R13-K17 WeakPolarHBondContact O-CB 3.39Å; R13-K17 PolarHBondContact O-N 3.23Å; R13-K17 VanDerWaalsContact O-N 3.12Å; R13-E65 IonicContact CZ-OE2 3.41Å; R13-E65 IonicContact NH1-OE2 2.97Å; R13-E65 PolarHBondContact NH1-OE2 2.95Å; R13-E65 IonicContact NH2-OE2 2.84Å; R13-E65 PolarHBondContact NH2-OE2 3.48Å; R13-V66 HydrophobicContact CG-CG2 4.05Å |
| 14 | R | 93.5 | Very high | 94 | Very high | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.8 | -174.3 | -174 | 70.4 | 164.2 | -0.7 | 111.6 | I10 E11 L12 K17 N18 | I10-R14 WeakPolarHBondContact O-CB 3.36Å; I10-R14 PolarHBondContact O-N 3.14Å; E11-R14 WeakPolarHBondContact O-CB 3.41Å; E11-R14 PolarHBondContact O-N 3.4Å; E11-R14 VanDerWaalsContact O-N 3.15Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.99Å; R14-K17 PolarHBondContact O-N 3.11Å; R14-N18 WeakPolarHBondContact CG-ND2 3.28Å; R14-N18 WeakPolarHBondContact O-CB 3.48Å; R14-N18 PolarHBondContact O-N 2.86Å; R14-N18 VanDerWaalsContact O-N 3.1Å; R14-N18 PolarHBondContact O-ND2 3.2Å |
| 15 | L | 95.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 178.4 | -68.5 | 172 | 0 | 0 | 0 | 111.1 | L4 V6 E11 L12 K17 N18 E19 L22 L54 V56 | L4-L15 HydrophobicContact CD2-CD1 4.08Å; V6-L15 HydrophobicContact CG2-CD1 3.65Å; E11-L15 HydrophobicContact CG-CD1 4.32Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.34Å; L15-N18 PolarHBondContact O-N 3.2Å; L15-E19 HydrophobicContact CB-CG 4.28Å; L15-E19 HydrophobicContact CD2-CG 4.01Å; L15-E19 VanDerWaalsContact O-CB 3.23Å; L15-E19 WeakPolarHBondContact O-CB 3.39Å; L15-E19 VanDerWaalsContact O-CG 3.25Å; L15-E19 WeakPolarHBondContact O-CG 3.26Å; L15-E19 PolarHBondContact O-N 3.49Å; L15-L22 HydrophobicContact CB-CD2 4.28Å; L15-L54 HydrophobicContact CD2-CD2 3.82Å; L15-V56 HydrophobicContact CD1-CG2 3.91Å |
| 16 | I | 93.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -46.4 | 176.8 | -69.1 | 166.7 | 0 | 0 | 0 | 110.6 | L12 L22 L70 F81 G84 | L12-I16 HydrophobicContact CD1-CD1 4.1Å; L12-I16 HydrophobicContact CD1-CG1 4.29Å; L12-I16 HydrophobicContact CG-CD1 4.03Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.29Å; I16-L22 HydrophobicContact CB-CD2 4.36Å; I16-L22 HydrophobicContact CG1-CD2 3.82Å; I16-L70 HydrophobicContact CD1-CD1 3.88Å; I16-F81 HydrophobicContact CD1-CE1 4.4Å; I16-F81 HydrophobicContact CD1-CE2 4.27Å; I16-F81 HydrophobicContact CD1-CZ 3.96Å; I16-F81 HydrophobicContact CG1-CD2 4.42Å; I16-F81 HydrophobicContact CG1-CE1 4.36Å; I16-F81 HydrophobicContact CG1-CE2 4.16Å; I16-F81 HydrophobicContact CG1-CZ 4.14Å; I16-F81 HydrophobicContact CG2-CD1 3.76Å; I16-F81 HydrophobicContact CG2-CE1 3.75Å; I16-F81 HydrophobicContact CG2-CG 4.39Å; I16-F81 HydrophobicContact CG2-CZ 4.36Å; I16-G84 VanDerWaalsContact O-CA 3.26Å; I16-G84 WeakPolarHBondContact O-CA 3.48Å |
| 17 | K | 89.1 | Confident | 94.2 | Very high | 166 Ų | 166 | 50.8 Ų | 50.8 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.1 | -37.2 | -177.3 | -172.8 | 177.5 | 179.7 | 179.6 | 0 | 114.2 | R13 R14 L15 | R13-K17 WeakPolarHBondContact O-CB 3.39Å; R13-K17 PolarHBondContact O-N 3.23Å; R13-K17 VanDerWaalsContact O-N 3.12Å; R14-K17 PolarHBondContact O-N 3.11Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.34Å |
| 18 | N | 85.8 | Confident | 94.3 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -105.8 | -22.9 | -165.1 | -64.8 | -20.7 | 0 | 0 | 0 | 113.7 | R14 L15 | R14-N18 WeakPolarHBondContact CG-ND2 3.28Å; R14-N18 WeakPolarHBondContact O-CB 3.48Å; R14-N18 PolarHBondContact O-N 2.86Å; R14-N18 VanDerWaalsContact O-N 3.1Å; R14-N18 PolarHBondContact O-ND2 3.2Å; L15-N18 PolarHBondContact O-N 3.2Å |
| 19 | E | 89.1 | Confident | 94.2 | Very high | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | trans | -80.9 | 134.5 | -177.5 | -65.1 | -62.2 | 154 | 0 | 0 | 111.3 | L15 L22 L54 | L15-E19 HydrophobicContact CB-CG 4.28Å; L15-E19 HydrophobicContact CD2-CG 4.01Å; L15-E19 VanDerWaalsContact O-CB 3.23Å; L15-E19 WeakPolarHBondContact O-CB 3.39Å; L15-E19 VanDerWaalsContact O-CG 3.25Å; L15-E19 WeakPolarHBondContact O-CG 3.26Å; L15-E19 PolarHBondContact O-N 3.49Å; E19-L22 HydrophobicContact CB-CB 4Å; E19-L54 HydrophobicContact CG-CD2 3.7Å | ||
| 20 | R | 87.5 | Confident | 94 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -68.9 | -44.6 | -177.8 | -173.6 | -167.3 | -173.3 | -171.1 | 20.8 | 112.2 | E52 Q82 L83 A110 | R20-E52 IonicContact NH1-OE1 3.24Å; R20-E52 PolarHBondContact NH1-OE1 3.21Å; R20-E52 IonicContact NH1-OE2 3.25Å; R20-E52 PolarHBondContact NH1-OE2 2.99Å; R20-Q82 CarbonylContact O-C 3.57Å; R20-Q82 VanDerWaalsContact O-CA 3.26Å; R20-Q82 WeakPolarHBondContact O-CA 3.3Å; R20-L83 HydrophobicContact CB-CD2 4.47Å; R20-L83 HydrophobicContact CG-CD2 3.93Å; R20-L83 HydrophobicContact CG-CG 4.37Å; R20-L83 PolarHBondContact O-N 3.06Å; R20-A110 PolarHBondContact NH2-O 3.38Å |
| 21 | K | 92.8 | Very high | 94 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 117.9 | 178.6 | -67.7 | 177.1 | 176.1 | 174.7 | 0 | 107.6 | E52 I53 L54 L105 Q106 A108 | K21-E52 HydrophobicContact CD-CB 4.32Å; K21-E52 IonicContact NZ-OE2 3.35Å; K21-E52 PolarHBondContact NZ-OE2 3.15Å; K21-I53 HydrophobicContact CB-CB 4.45Å; K21-I53 HydrophobicContact CB-CG1 4.05Å; K21-I53 HydrophobicContact CD-CG1 4.14Å; K21-L54 PolarHBondContact O-N 2.98Å; K21-L105 HydrophobicContact CB-CD1 4.04Å; K21-L105 HydrophobicContact CB-CD2 4.26Å; K21-L105 HydrophobicContact CB-CG 4.07Å; K21-L105 HydrophobicContact CD-CD1 4.44Å; K21-L105 HydrophobicContact CD-CG 4.38Å; K21-L105 WeakPolarHBondContact CD-O 3.25Å; K21-L105 WeakPolarHBondContact CE-O 3.29Å; K21-L105 HydrophobicContact CG-CD1 3.88Å; K21-L105 HydrophobicContact CG-CG 4.2Å; K21-L105 PolarHBondContact NZ-O 3.35Å; K21-Q106 PolarHBondContact NZ-O 2.76Å; K21-A108 PolarHBondContact NZ-O 3.4Å |
| 22 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.9 | -172.1 | 169.2 | 72.1 | 0 | 0 | 0 | 110.3 | L15 I16 E19 V24 L54 V56 F81 | L15-L22 HydrophobicContact CB-CD2 4.28Å; I16-L22 HydrophobicContact CB-CD2 4.36Å; I16-L22 HydrophobicContact CG1-CD2 3.82Å; E19-L22 HydrophobicContact CB-CB 4Å; L22-V24 HydrophobicContact CD1-CG2 4.12Å; L22-V24 HydrophobicContact CD2-CG2 3.68Å; L22-V24 HydrophobicContact CG-CG2 3.69Å; L22-L54 CarbonylContact C-O 3.57Å; L22-L54 WeakPolarHBondContact CA-O 3.4Å; L22-L54 HydrophobicContact CD1-CB 4.05Å; L22-L54 HydrophobicContact CD1-CD2 4.05Å; L22-L54 HydrophobicContact CD1-CG 4.11Å; L22-V56 HydrophobicContact CD1-CB 4.16Å; L22-V56 HydrophobicContact CD1-CG2 3.47Å; L22-V56 VanDerWaalsContact CD1-CG2 3.47Å; L22-F81 HydrophobicContact CB-CB 4.13Å; L22-F81 HydrophobicContact CD2-CB 4.47Å; L22-F81 HydrophobicContact CD2-CD2 4.21Å; L22-F81 HydrophobicContact CG-CD2 4.43Å; L22-F81 PolarHBondContact N-O 3.49Å; L22-F81 PolarHBondContact O-N 3.34Å |
| 23 | V | 98 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.2 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | L41 I53 L54 F55 V56 V78 L79 F80 V102 L105 | V23-L41 HydrophobicContact CG1-CD2 3.99Å; V23-I53 HydrophobicContact CB-CG2 4.49Å; V23-I53 HydrophobicContact CG2-CG2 3.66Å; V23-L54 PolarHBondContact N-O 2.77Å; V23-F55 HydrophobicContact CB-CD1 3.78Å; V23-F55 HydrophobicContact CB-CE1 4.12Å; V23-F55 HydrophobicContact CB-CG 4.35Å; V23-F55 HydrophobicContact CG1-CD1 3.97Å; V23-F55 HydrophobicContact CG1-CE1 4.29Å; V23-F55 HydrophobicContact CG2-CD1 4.16Å; V23-F55 HydrophobicContact CG2-CE1 3.99Å; V23-V56 PolarHBondContact O-N 2.99Å; V23-V78 HydrophobicContact CG1-CG1 3.51Å; V23-L79 WeakPolarHBondContact CA-O 3.21Å; V23-F80 HydrophobicContact CG1-CD1 4.49Å; V23-F80 HydrophobicContact CG1-CE1 4.19Å; V23-F80 HydrophobicContact CG2-CD1 3.83Å; V23-F80 HydrophobicContact CG2-CE1 4.05Å; V23-V102 HydrophobicContact CG2-CG2 4.41Å; V23-L105 HydrophobicContact CG2-CD2 3.8Å |
| 24 | V | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.2 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | L12 L22 F26 V56 V58 V78 L79 F81 | L12-V24 HydrophobicContact CD1-CG1 3.77Å; L12-V24 HydrophobicContact CD1-CG2 4.12Å; L22-V24 HydrophobicContact CD1-CG2 4.12Å; L22-V24 HydrophobicContact CD2-CG2 3.68Å; L22-V24 HydrophobicContact CG-CG2 3.69Å; V24-F26 HydrophobicContact CB-CE2 4.01Å; V24-F26 HydrophobicContact CG1-CD2 3.99Å; V24-F26 HydrophobicContact CG1-CE2 3.37Å; V24-F26 HydrophobicContact CG1-CZ 3.75Å; V24-V56 HydrophobicContact CG1-CG1 4.43Å; V24-V58 HydrophobicContact CG1-CG2 3.76Å; V24-V78 WeakPolarHBondContact O-CA 3.25Å; V24-L79 HydrophobicContact CB-CB 4.48Å; V24-L79 PolarHBondContact N-O 2.81Å; V24-L79 PolarHBondContact O-N 3.48Å; V24-F81 HydrophobicContact CB-CE2 4.27Å; V24-F81 HydrophobicContact CG2-CD2 3.87Å; V24-F81 HydrophobicContact CG2-CE2 3.73Å |
| 25 | F | 98.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.5 | 178.6 | 171.1 | -138.7 | 0 | 0 | 0 | 111.1 | L3 C34 V37 H38 L41 V56 H57 V58 P76 V78 | L3-F25 HydrophobicContact CD1-CD1 4.25Å; F25-C34 HydrophobicContact CZ-CB 3.96Å; F25-C34 WeakPolarHBondContact CZ-O 3.36Å; F25-V37 HydrophobicContact CD2-CG1 3.72Å; F25-V37 HydrophobicContact CE1-CG1 4.42Å; F25-V37 HydrophobicContact CE2-CB 3.99Å; F25-V37 HydrophobicContact CE2-CG1 3.52Å; F25-V37 HydrophobicContact CG-CG1 4.27Å; F25-V37 HydrophobicContact CZ-CB 4.02Å; F25-V37 HydrophobicContact CZ-CG1 3.9Å; F25-H38 HydrophobicContact CE1-CB 3.81Å; F25-L41 HydrophobicContact CB-CD1 3.46Å; F25-L41 VanDerWaalsContact CB-CD1 3.46Å; F25-L41 HydrophobicContact CD1-CD1 3.93Å; F25-L41 HydrophobicContact CD2-CD1 4.29Å; F25-L41 HydrophobicContact CG-CD1 3.62Å; F25-V56 PolarHBondContact N-O 3.09Å; F25-H57 AromaticContact CD1-CD2 3.41Å; F25-H57 VanDerWaalsContact CD1-CD2 3.41Å; F25-H57 WeakPolarHBondContact CD1-CD2 3.45Å; F25-H57 AromaticContact CE1-CD2 3.64Å; F25-V58 PolarHBondContact O-N 3.29Å; F25-P76 HydrophobicContact CE2-CB 3.59Å; F25-P76 HydrophobicContact CZ-CB 4.34Å; F25-V78 HydrophobicContact CD2-CG2 4.03Å |
| 26 | F | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.4 | 173.4 | -67.7 | -93 | 0 | 0 | 0 | 110.5 | L12 V24 V58 A60 V63 L70 I72 V75 P76 T77 L79 | L12-F26 HydrophobicContact CD2-CE1 4.09Å; L12-F26 HydrophobicContact CD2-CZ 3.9Å; V24-F26 HydrophobicContact CB-CE2 4.01Å; V24-F26 HydrophobicContact CG1-CD2 3.99Å; V24-F26 HydrophobicContact CG1-CE2 3.37Å; V24-F26 HydrophobicContact CG1-CZ 3.75Å; F26-V58 WeakPolarHBondContact CA-O 3.33Å; F26-V58 HydrophobicContact CD1-CB 4.34Å; F26-V58 HydrophobicContact CD1-CG1 4.47Å; F26-V58 HydrophobicContact CE1-CB 4.44Å; F26-V58 HydrophobicContact CE1-CG1 4.36Å; F26-A60 HydrophobicContact CB-CB 4.33Å; F26-A60 HydrophobicContact CD1-CB 4.24Å; F26-V63 HydrophobicContact CE1-CG2 4.02Å; F26-L70 HydrophobicContact CE2-CD1 4.28Å; F26-L70 HydrophobicContact CZ-CD1 3.71Å; F26-I72 HydrophobicContact CB-CG2 4.15Å; F26-I72 HydrophobicContact CD1-CD1 4.46Å; F26-I72 HydrophobicContact CD1-CG1 3.93Å; F26-I72 HydrophobicContact CD1-CG2 4.46Å; F26-I72 HydrophobicContact CD2-CD1 3.7Å; F26-I72 HydrophobicContact CD2-CG1 4.08Å; F26-I72 HydrophobicContact CE1-CG1 4Å; F26-I72 HydrophobicContact CE2-CD1 3.86Å; F26-I72 HydrophobicContact CE2-CG1 4.16Å; F26-I72 HydrophobicContact CG-CD1 4.03Å; F26-I72 HydrophobicContact CG-CG1 3.96Å; F26-I72 HydrophobicContact CG-CG2 4.3Å; F26-I72 HydrophobicContact CZ-CD1 4.31Å; F26-I72 HydrophobicContact CZ-CG1 4.12Å; F26-V75 HydrophobicContact CB-CG1 4.29Å; F26-P76 WeakPolarHBondContact O-CA 3.34Å; F26-T77 PolarHBondContact N-O 3.41Å; F26-T77 PolarHBondContact O-N 3.33Å; F26-L79 HydrophobicContact CD2-CG 4.37Å; F26-L79 HydrophobicContact CE2-CD1 3.84Å; F26-L79 HydrophobicContact CE2-CG 4.06Å |
| 27 | S | 97.6 | Very high | 94 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 169.5 | -177 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | H57 V58 A60 | S27-H57 PolarHBondContact OG-NE2 3.15Å; S27-V58 PolarHBondContact N-O 3.05Å; S27-V58 PolarHBondContact OG-O 3.29Å; S27-A60 PolarHBondContact O-N 2.98Å |
| 28 | S | 95.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | trans | -136.6 | 142.1 | 163 | 169.1 | 0 | 0 | 0 | 0 | 107.7 | N30 V31 E61 | S28-N30 PolarHBondContact O-N 2.98Å; S28-N30 VanDerWaalsContact O-N 3.08Å; S28-V31 PolarHBondContact O-N 3.25Å; S28-E61 PolarHBondContact OG-OE1 3.5Å | ||
| 29 | P | 91.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.2 | -179.7 | 24.1 | -35 | 0 | 0 | 0 | 113.6 | D59 | P29-D59 WeakPolarHBondContact CD-OD2 3.19Š|
| 30 | N | 91.3 | Very high | 95.2 | Very high | 130 Ų | 130 | 46.2 Ų | 46.2 | 70% | 0.695 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.2 | -176.9 | -60.1 | -54.6 | 0 | 0 | 0 | 114 | S28 | S28-N30 PolarHBondContact O-N 2.98Å; S28-N30 VanDerWaalsContact O-N 3.08Å |
| 31 | V | 93.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | trans | -120.5 | 102.6 | -174.8 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | S28 Q33 C34 V75 | S28-V31 PolarHBondContact O-N 3.25Å; V31-Q33 HydrophobicContact CG1-CB 4.26Å; V31-Q33 VanDerWaalsContact CG1-OE1 3.3Å; V31-Q33 PolarHBondContact O-N 3.49Å; V31-Q33 VanDerWaalsContact O-N 3.12Å; V31-C34 WeakPolarHBondContact O-CB 3.36Å; V31-C34 PolarHBondContact O-N 2.7Å; V31-C34 PolarHBondContact O-SG 2.91Å; V31-V75 HydrophobicContact CB-CG2 4.29Å; V31-V75 HydrophobicContact CG2-CG2 3.84Å | ||
| 32 | P | 93.7 | Very high | 95.9 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 62% | 0.623 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.1 | -175.5 | -27.2 | 35 | 0 | 0 | 0 | 114.6 | C34 D35 | P32-C34 PolarHBondContact O-N 3.43Å; P32-C34 VanDerWaalsContact O-N 3.15Å; P32-D35 PolarHBondContact O-N 3.34Å; P32-D35 VanDerWaalsContact O-N 3.14Å |
| 33 | Q | 93.8 | Very high | 95.8 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -20.8 | 177.2 | -64.8 | 85.7 | -7.6 | 0 | 0 | 112.6 | V31 D35 Q36 V37 P76 A93 | V31-Q33 HydrophobicContact CG1-CB 4.26Å; V31-Q33 VanDerWaalsContact CG1-OE1 3.3Å; V31-Q33 PolarHBondContact O-N 3.49Å; V31-Q33 VanDerWaalsContact O-N 3.12Å; Q33-D35 VanDerWaalsContact C-N 3.29Å; Q33-D35 PolarHBondContact O-N 3.49Å; Q33-Q36 PolarHBondContact O-N 2.86Å; Q33-V37 PolarHBondContact O-N 3.34Å; Q33-P76 HydrophobicContact CB-CG 4.15Å; Q33-A93 HydrophobicContact CB-CB 4.04Å |
| 34 | C | 96.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 175.4 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | F25 V31 P32 Q36 V37 H38 | F25-C34 HydrophobicContact CZ-CB 3.96Å; F25-C34 WeakPolarHBondContact CZ-O 3.36Å; V31-C34 WeakPolarHBondContact O-CB 3.36Å; V31-C34 PolarHBondContact O-N 2.7Å; V31-C34 PolarHBondContact O-SG 2.91Å; P32-C34 PolarHBondContact O-N 3.43Å; P32-C34 VanDerWaalsContact O-N 3.15Å; C34-Q36 VanDerWaalsContact C-N 3.34Å; C34-Q36 PolarHBondContact O-N 3.08Å; C34-V37 PolarHBondContact O-N 3.24Å; C34-H38 VanDerWaalsContact O-CB 3.32Å; C34-H38 WeakPolarHBondContact O-CB 3.28Å; C34-H38 PolarHBondContact O-N 2.99Å |
| 35 | D | 95.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | -179.4 | -66.5 | -28 | 0 | 0 | 0 | 111.6 | P32 Q33 H38 N39 | P32-D35 PolarHBondContact O-N 3.34Å; P32-D35 VanDerWaalsContact O-N 3.14Å; Q33-D35 VanDerWaalsContact C-N 3.29Å; Q33-D35 PolarHBondContact O-N 3.49Å; D35-H38 PolarHBondContact O-N 2.97Å; D35-N39 WeakPolarHBondContact O-CB 3.44Å; D35-N39 VanDerWaalsContact O-CG 3.31Å; D35-N39 PolarHBondContact O-N 2.83Å; D35-N39 PolarHBondContact O-ND2 3.17Å; D35-N39 VanDerWaalsContact O-ND2 3.1Å |
| 36 | Q | 94.5 | Very high | 95.3 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 177.4 | -168.9 | -174.9 | 9.4 | 0 | 0 | 111.1 | Q33 C34 N39 V40 I95 | Q33-Q36 PolarHBondContact O-N 2.86Å; C34-Q36 VanDerWaalsContact C-N 3.34Å; C34-Q36 PolarHBondContact O-N 3.08Å; Q36-N39 PolarHBondContact O-N 3.38Å; Q36-V40 WeakPolarHBondContact O-CG2 3.25Å; Q36-V40 PolarHBondContact O-N 2.99Å; Q36-I95 HydrophobicContact CG-CD1 4.2Å; Q36-I95 HydrophobicContact CG-CG1 4.42Å |
| 37 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -43 | 178 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F25 Q33 C34 N39 V40 L41 P76 V78 A93 I95 I98 | F25-V37 HydrophobicContact CD2-CG1 3.72Å; F25-V37 HydrophobicContact CE1-CG1 4.42Å; F25-V37 HydrophobicContact CE2-CB 3.99Å; F25-V37 HydrophobicContact CE2-CG1 3.52Å; F25-V37 HydrophobicContact CG-CG1 4.27Å; F25-V37 HydrophobicContact CZ-CB 4.02Å; F25-V37 HydrophobicContact CZ-CG1 3.9Å; Q33-V37 PolarHBondContact O-N 3.34Å; C34-V37 PolarHBondContact O-N 3.24Å; V37-N39 VanDerWaalsContact C-N 3.34Å; V37-N39 PolarHBondContact O-N 3.25Å; V37-V40 PolarHBondContact O-N 3.09Å; V37-L41 HydrophobicContact CG1-CD1 3.9Å; V37-L41 HydrophobicContact CG1-CG 4.31Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 3Å; V37-P76 HydrophobicContact CB-CB 4.32Å; V37-P76 HydrophobicContact CG2-CB 3.97Å; V37-P76 HydrophobicContact CG2-CG 3.89Å; V37-V78 HydrophobicContact CG1-CG2 3.7Å; V37-A93 HydrophobicContact CG2-CB 3.77Å; V37-I95 HydrophobicContact CG2-CD1 4.4Å; V37-I98 HydrophobicContact CB-CD1 4.48Å; V37-I98 HydrophobicContact CG1-CD1 3.9Å; V37-I98 HydrophobicContact CG2-CD1 3.94Å |
| 38 | H | 97.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 177.7 | -168.8 | 115.2 | 0 | 0 | 0 | 111.3 | F25 C34 D35 V40 L41 K42 | F25-H38 HydrophobicContact CE1-CB 3.81Å; C34-H38 VanDerWaalsContact O-CB 3.32Å; C34-H38 WeakPolarHBondContact O-CB 3.28Å; C34-H38 PolarHBondContact O-N 2.99Å; D35-H38 PolarHBondContact O-N 2.97Å; H38-V40 VanDerWaalsContact C-N 3.35Å; H38-V40 PolarHBondContact O-N 3.12Å; H38-L41 PolarHBondContact O-N 3.01Å; H38-K42 WeakPolarHBondContact O-CB 3.38Å; H38-K42 PolarHBondContact O-N 3.27Å |
| 39 | N | 95.7 | Very high | 93.8 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -178.9 | -74.5 | -34.8 | 0 | 0 | 0 | 111.9 | D35 Q36 V37 K42 T43 | D35-N39 WeakPolarHBondContact O-CB 3.44Å; D35-N39 VanDerWaalsContact O-CG 3.31Å; D35-N39 PolarHBondContact O-N 2.83Å; D35-N39 PolarHBondContact O-ND2 3.17Å; D35-N39 VanDerWaalsContact O-ND2 3.1Å; Q36-N39 PolarHBondContact O-N 3.38Å; V37-N39 VanDerWaalsContact C-N 3.34Å; V37-N39 PolarHBondContact O-N 3.25Å; N39-K42 WeakPolarHBondContact O-CB 3.35Å; N39-K42 PolarHBondContact O-N 3.01Å; N39-T43 PolarHBondContact O-N 3.03Å; N39-T43 PolarHBondContact O-OG1 3.42Å |
| 40 | V | 95.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -47 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | Q36 V37 H38 K42 T43 L44 I95 I98 | Q36-V40 WeakPolarHBondContact O-CG2 3.25Å; Q36-V40 PolarHBondContact O-N 2.99Å; V37-V40 PolarHBondContact O-N 3.09Å; H38-V40 VanDerWaalsContact C-N 3.35Å; H38-V40 PolarHBondContact O-N 3.12Å; V40-K42 VanDerWaalsContact C-N 3.28Å; V40-K42 PolarHBondContact O-N 3.14Å; V40-T43 PolarHBondContact O-N 3.1Å; V40-L44 HydrophobicContact CG1-CD1 3.82Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 2.96Å; V40-I95 HydrophobicContact CB-CD1 4.21Å; V40-I95 HydrophobicContact CG1-CD1 4.49Å; V40-I95 HydrophobicContact CG1-CG2 4.11Å; V40-I95 HydrophobicContact CG2-CD1 3.71Å; V40-I95 HydrophobicContact CG2-CG1 4.14Å; V40-I95 HydrophobicContact CG2-CG2 3.89Å; V40-I98 HydrophobicContact CG1-CG2 4.42Å |
| 41 | L | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 178.4 | -68.9 | 175.6 | 0 | 0 | 0 | 112.1 | L3 V23 F25 V37 H38 L44 K45 F55 V78 I98 | L3-L41 HydrophobicContact CD1-CB 4.05Å; L3-L41 HydrophobicContact CD1-CD1 4.47Å; L3-L41 HydrophobicContact CD2-CB 4.15Å; V23-L41 HydrophobicContact CG1-CD2 3.99Å; F25-L41 HydrophobicContact CB-CD1 3.46Å; F25-L41 VanDerWaalsContact CB-CD1 3.46Å; F25-L41 HydrophobicContact CD1-CD1 3.93Å; F25-L41 HydrophobicContact CD2-CD1 4.29Å; F25-L41 HydrophobicContact CG-CD1 3.62Å; V37-L41 HydrophobicContact CG1-CD1 3.9Å; V37-L41 HydrophobicContact CG1-CG 4.31Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 3Å; H38-L41 PolarHBondContact O-N 3.01Å; L41-L44 HydrophobicContact CD2-CD1 4.48Å; L41-L44 PolarHBondContact O-N 2.92Å; L41-K45 WeakPolarHBondContact O-CB 3.4Å; L41-K45 PolarHBondContact O-N 3.39Å; L41-F55 HydrophobicContact CB-CD1 4.41Å; L41-F55 HydrophobicContact CD2-CD1 4.1Å; L41-F55 HydrophobicContact CD2-CE1 4.11Å; L41-V78 HydrophobicContact CD1-CG2 4.31Å; L41-V78 HydrophobicContact CD2-CG1 4.48Å; L41-I98 HydrophobicContact CD2-CG2 3.73Å |
| 42 | K | 96.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.9 | -173.8 | -175 | 175.1 | -173.9 | 0 | 111.4 | M1 H38 N39 V40 K45 E46 | M1-K42 WeakPolarHBondContact O-CG 3.47Å; H38-K42 WeakPolarHBondContact O-CB 3.38Å; H38-K42 PolarHBondContact O-N 3.27Å; N39-K42 WeakPolarHBondContact O-CB 3.35Å; N39-K42 PolarHBondContact O-N 3.01Å; V40-K42 VanDerWaalsContact C-N 3.28Å; V40-K42 PolarHBondContact O-N 3.14Å; K42-K45 PolarHBondContact O-N 2.9Å; K42-E46 WeakPolarHBondContact O-CG 3.45Å; K42-E46 PolarHBondContact O-N 3.31Å |
| 43 | T | 95.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 64 Ų | 64 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | N39 V40 K45 E46 | N39-T43 PolarHBondContact O-N 3.03Å; N39-T43 PolarHBondContact O-OG1 3.42Å; V40-T43 PolarHBondContact O-N 3.1Å; T43-K45 PolarHBondContact O-N 3.06Å; T43-E46 PolarHBondContact O-N 2.92Å |
| 44 | L | 95.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.3 | -69.8 | 168.3 | 0 | 0 | 0 | 111.6 | V40 L41 E46 D47 N50 F55 I98 T99 V102 | V40-L44 HydrophobicContact CG1-CD1 3.82Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 2.96Å; L41-L44 HydrophobicContact CD2-CD1 4.48Å; L41-L44 PolarHBondContact O-N 2.92Å; L44-E46 PolarHBondContact O-N 3.4Å; L44-D47 WeakPolarHBondContact O-CB 3.26Å; L44-D47 PolarHBondContact O-N 2.93Å; L44-D47 VanDerWaalsContact O-N 3.12Å; L44-N50 WeakPolarHBondContact O-CB 3.34Å; L44-N50 PolarHBondContact O-ND2 2.9Å; L44-F55 HydrophobicContact CB-CE1 4.21Å; L44-F55 HydrophobicContact CB-CZ 4.2Å; L44-I98 HydrophobicContact CD1-CG2 4.29Å; L44-T99 HydrophobicContact CD2-CG2 4.48Å; L44-V102 HydrophobicContact CD1-CB 4.24Å; L44-V102 HydrophobicContact CD1-CG1 4.46Å; L44-V102 HydrophobicContact CD1-CG2 3.87Å; L44-V102 HydrophobicContact CD2-CG1 4.47Å |
| 45 | K | 95.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -32 | 176.4 | 178.8 | 177.7 | -177 | 165.8 | 0 | 113.2 | M1 S2 L3 L41 K42 T43 D47 F55 | M1-K45 HydrophobicContact CB-CD 4.48Å; S2-K45 WeakPolarHBondContact O-CE 3.41Å; S2-K45 PolarHBondContact O-NZ 3.2Å; L3-K45 HydrophobicContact CD2-CB 4.45Å; L3-K45 HydrophobicContact CD2-CD 4.1Å; L41-K45 WeakPolarHBondContact O-CB 3.4Å; L41-K45 PolarHBondContact O-N 3.39Å; K42-K45 PolarHBondContact O-N 2.9Å; T43-K45 PolarHBondContact O-N 3.06Å; K45-D47 VanDerWaalsContact C-N 3.27Å; K45-F55 HydrophobicContact CB-CD2 3.75Å; K45-F55 HydrophobicContact CB-CE2 4.07Å; K45-F55 HydrophobicContact CB-CG 4.08Å; K45-F55 HydrophobicContact CD-CB 4.28Å; K45-F55 HydrophobicContact CD-CD2 4.45Å; K45-F55 HydrophobicContact CG-CD2 3.94Å; K45-F55 HydrophobicContact CG-CG 4.47Å |
| 46 | E | 93.2 | Very high | 93.5 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.2 | -16.5 | -178.8 | -72.3 | 172.9 | 172.1 | 0 | 0 | 113 | M1 K42 T43 L44 T48 | M1-E46 PolarHBondContact N-OE1 2.82Å; K42-E46 WeakPolarHBondContact O-CG 3.45Å; K42-E46 PolarHBondContact O-N 3.31Å; T43-E46 PolarHBondContact O-N 2.92Å; L44-E46 PolarHBondContact O-N 3.4Å; E46-T48 PolarHBondContact O-N 3.26Å |
| 47 | D | 90.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -73.3 | 126.1 | 175.5 | -164.4 | -25.1 | 0 | 0 | 0 | 111.3 | L44 K45 V49 N50 | L44-D47 WeakPolarHBondContact O-CB 3.26Å; L44-D47 PolarHBondContact O-N 2.93Å; L44-D47 VanDerWaalsContact O-N 3.12Å; K45-D47 VanDerWaalsContact C-N 3.27Å; D47-V49 HydrophobicContact CB-CG2 4.29Å; D47-V49 VanDerWaalsContact CG-CG2 3.44Å; D47-V49 PolarHBondContact O-N 3.04Å; D47-V49 VanDerWaalsContact O-N 3.14Å; D47-V49 VanDerWaalsContact OD1-CG2 3.32Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.44Å; D47-V49 PolarHBondContact OD1-N 3.45Å; D47-V49 VanDerWaalsContact OD1-N 3.1Å; D47-N50 WeakPolarHBondContact O-CA 3.48Å; D47-N50 WeakPolarHBondContact O-CB 3.39Å; D47-N50 PolarHBondContact O-N 3.3Å |
| 48 | T | 86.1 | Confident | 93.7 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 71% | 0.712 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -54.8 | -29.6 | 177.8 | 52.9 | 0 | 0 | 0 | 0 | 114 | E46 N50 S51 | E46-T48 PolarHBondContact O-N 3.26Å; T48-N50 PolarHBondContact O-N 3.17Å; T48-S51 VanDerWaalsContact O-CB 3.3Å; T48-S51 WeakPolarHBondContact O-CB 3.28Å; T48-S51 PolarHBondContact O-N 3.47Å; T48-S51 PolarHBondContact O-OG 3.08Å |
| 49 | V | 84.5 | Confident | 93.7 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -69.5 | -17.3 | 176.5 | -59 | 0 | 0 | 0 | 0 | 112.9 | D47 | D47-V49 HydrophobicContact CB-CG2 4.29Å; D47-V49 VanDerWaalsContact CG-CG2 3.44Å; D47-V49 PolarHBondContact O-N 3.04Å; D47-V49 VanDerWaalsContact O-N 3.14Å; D47-V49 VanDerWaalsContact OD1-CG2 3.32Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.44Å; D47-V49 PolarHBondContact OD1-N 3.45Å; D47-V49 VanDerWaalsContact OD1-N 3.1Å |
| 50 | N | 88.6 | Confident | 93.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -94 | 8.3 | 175.4 | -73.5 | -51.9 | 0 | 0 | 0 | 113.6 | L44 D47 T48 E52 I53 F55 V102 Q106 | L44-N50 WeakPolarHBondContact O-CB 3.34Å; L44-N50 PolarHBondContact O-ND2 2.9Å; D47-N50 WeakPolarHBondContact O-CA 3.48Å; D47-N50 WeakPolarHBondContact O-CB 3.39Å; D47-N50 PolarHBondContact O-N 3.3Å; T48-N50 PolarHBondContact O-N 3.17Å; N50-E52 PolarHBondContact O-N 3.23Å; N50-E52 VanDerWaalsContact O-N 3.11Å; N50-I53 WeakPolarHBondContact O-CB 3.35Å; N50-I53 PolarHBondContact O-N 3.29Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.49Å; N50-F55 HydrophobicContact CB-CE2 4.06Å; N50-F55 HydrophobicContact CB-CZ 4.28Å; N50-V102 WeakPolarHBondContact OD1-CG1 3.28Å; N50-Q106 PolarHBondContact ND2-NE2 2.81Å; N50-Q106 VanDerWaalsContact OD1-CD 3.22Å; N50-Q106 WeakPolarHBondContact OD1-CG 3.29Å; N50-Q106 PolarHBondContact OD1-NE2 3.45Å |
| 51 | S | 86.9 | Confident | 93.7 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26 | -174.5 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | T48 I53 | T48-S51 VanDerWaalsContact O-CB 3.3Å; T48-S51 WeakPolarHBondContact O-CB 3.28Å; T48-S51 PolarHBondContact O-N 3.47Å; T48-S51 PolarHBondContact O-OG 3.08Å; S51-I53 VanDerWaalsContact C-N 3.33Å |
| 52 | E | 88.3 | Confident | 93.6 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.9 | 175.3 | -62.9 | -167 | 150.8 | 0 | 0 | 114.1 | R20 K21 N50 | R20-E52 IonicContact NH1-OE1 3.24Å; R20-E52 PolarHBondContact NH1-OE1 3.21Å; R20-E52 IonicContact NH1-OE2 3.25Å; R20-E52 PolarHBondContact NH1-OE2 2.99Å; K21-E52 HydrophobicContact CD-CB 4.32Å; K21-E52 IonicContact NZ-OE2 3.35Å; K21-E52 PolarHBondContact NZ-OE2 3.15Å; N50-E52 PolarHBondContact O-N 3.23Å; N50-E52 VanDerWaalsContact O-N 3.11Å |
| 53 | I | 94.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -100.4 | 120.8 | -173.7 | -53.4 | -178.7 | 0 | 0 | 0 | 109.3 | K21 V23 N50 S51 F55 V102 L105 Q106 | K21-I53 HydrophobicContact CB-CB 4.45Å; K21-I53 HydrophobicContact CB-CG1 4.05Å; K21-I53 HydrophobicContact CD-CG1 4.14Å; V23-I53 HydrophobicContact CB-CG2 4.49Å; V23-I53 HydrophobicContact CG2-CG2 3.66Å; N50-I53 WeakPolarHBondContact O-CB 3.35Å; N50-I53 PolarHBondContact O-N 3.29Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.49Å; S51-I53 VanDerWaalsContact C-N 3.33Å; I53-F55 HydrophobicContact CB-CD2 4.4Å; I53-F55 HydrophobicContact CB-CE2 3.75Å; I53-F55 HydrophobicContact CB-CZ 4.27Å; I53-F55 HydrophobicContact CG2-CD2 4.1Å; I53-F55 HydrophobicContact CG2-CE2 3.67Å; I53-F55 HydrophobicContact CG2-CZ 3.92Å; I53-F55 VanDerWaalsContact O-CD2 3.3Å; I53-F55 WeakPolarHBondContact O-CD2 3.3Å; I53-V102 HydrophobicContact CD1-CG1 4.19Å; I53-L105 HydrophobicContact CD1-CB 4.19Å; I53-L105 HydrophobicContact CD1-CD2 4.09Å; I53-L105 HydrophobicContact CD1-CG 4Å; I53-L105 HydrophobicContact CG1-CD2 4.42Å; I53-L105 HydrophobicContact CG1-CG 4.41Å; I53-L105 HydrophobicContact CG2-CD2 3.85Å; I53-Q106 HydrophobicContact CD1-CG 3.81Å | ||
| 54 | L | 96 | Very high | 93.5 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.7 | 169.9 | -173.2 | 64.3 | 0 | 0 | 0 | 109.8 | L4 L15 E19 K21 L22 V23 V56 | L4-L54 HydrophobicContact CD2-CD1 4.26Å; L4-L54 HydrophobicContact CD2-CD2 4.15Å; L15-L54 HydrophobicContact CD2-CD2 3.82Å; E19-L54 HydrophobicContact CG-CD2 3.7Å; K21-L54 PolarHBondContact O-N 2.98Å; L22-L54 CarbonylContact C-O 3.57Å; L22-L54 WeakPolarHBondContact CA-O 3.4Å; L22-L54 HydrophobicContact CD1-CB 4.05Å; L22-L54 HydrophobicContact CD1-CD2 4.05Å; L22-L54 HydrophobicContact CD1-CG 4.11Å; V23-L54 PolarHBondContact N-O 2.77Å; L54-V56 HydrophobicContact CD2-CG2 4.04Å; L54-V56 HydrophobicContact CG-CG2 4.06Å |
| 55 | F | 98 | Very high | 93.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.3 | 173.6 | -63.5 | -105.2 | 0 | 0 | 0 | 110.6 | L3 L4 V23 L41 L44 K45 N50 I53 V102 | L3-F55 HydrophobicContact CD2-CB 3.74Å; L3-F55 HydrophobicContact CD2-CG 4.49Å; L4-F55 PolarHBondContact N-O 3.02Å; V23-F55 HydrophobicContact CB-CD1 3.78Å; V23-F55 HydrophobicContact CB-CE1 4.12Å; V23-F55 HydrophobicContact CB-CG 4.35Å; V23-F55 HydrophobicContact CG1-CD1 3.97Å; V23-F55 HydrophobicContact CG1-CE1 4.29Å; V23-F55 HydrophobicContact CG2-CD1 4.16Å; V23-F55 HydrophobicContact CG2-CE1 3.99Å; L41-F55 HydrophobicContact CB-CD1 4.41Å; L41-F55 HydrophobicContact CD2-CD1 4.1Å; L41-F55 HydrophobicContact CD2-CE1 4.11Å; L44-F55 HydrophobicContact CB-CE1 4.21Å; L44-F55 HydrophobicContact CB-CZ 4.2Å; K45-F55 HydrophobicContact CB-CD2 3.75Å; K45-F55 HydrophobicContact CB-CE2 4.07Å; K45-F55 HydrophobicContact CB-CG 4.08Å; K45-F55 HydrophobicContact CD-CB 4.28Å; K45-F55 HydrophobicContact CD-CD2 4.45Å; K45-F55 HydrophobicContact CG-CD2 3.94Å; K45-F55 HydrophobicContact CG-CG 4.47Å; N50-F55 HydrophobicContact CB-CE2 4.06Å; N50-F55 HydrophobicContact CB-CZ 4.28Å; I53-F55 HydrophobicContact CB-CD2 4.4Å; I53-F55 HydrophobicContact CB-CE2 3.75Å; I53-F55 HydrophobicContact CB-CZ 4.27Å; I53-F55 HydrophobicContact CG2-CD2 4.1Å; I53-F55 HydrophobicContact CG2-CE2 3.67Å; I53-F55 HydrophobicContact CG2-CZ 3.92Å; I53-F55 VanDerWaalsContact O-CD2 3.3Å; I53-F55 WeakPolarHBondContact O-CD2 3.3Å; F55-V102 HydrophobicContact CE1-CG2 4.1Å; F55-V102 HydrophobicContact CZ-CG1 4.11Å; F55-V102 HydrophobicContact CZ-CG2 4.46Å |
| 56 | V | 98 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.6 | -176.9 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | L4 V6 L12 L15 L22 V23 V24 F25 L54 V58 | L4-V56 HydrophobicContact CB-CG2 4.33Å; L4-V56 HydrophobicContact CD2-CG2 4.18Å; L4-V56 CarbonylContact O-C 3.6Å; L4-V56 VanDerWaalsContact O-CA 3.27Å; L4-V56 WeakPolarHBondContact O-CA 3.38Å; V6-V56 HydrophobicContact CB-CG1 3.96Å; V6-V56 HydrophobicContact CG2-CG1 3.56Å; L12-V56 HydrophobicContact CD1-CG1 4.43Å; L15-V56 HydrophobicContact CD1-CG2 3.91Å; L22-V56 HydrophobicContact CD1-CB 4.16Å; L22-V56 HydrophobicContact CD1-CG2 3.47Å; L22-V56 VanDerWaalsContact CD1-CG2 3.47Å; V23-V56 PolarHBondContact O-N 2.99Å; V24-V56 HydrophobicContact CG1-CG1 4.43Å; F25-V56 PolarHBondContact N-O 3.09Å; L54-V56 HydrophobicContact CD2-CG2 4.04Å; L54-V56 HydrophobicContact CG-CG2 4.06Å; V56-V58 HydrophobicContact CG1-CG2 3.64Å |
| 57 | H | 98.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.8 | 172.4 | 170.6 | -119.3 | 0 | 0 | 0 | 109.5 | L3 L4 V5 V6 F25 S27 | L3-H57 HydrophobicContact CB-CB 3.8Å; L3-H57 HydrophobicContact CD1-CB 3.94Å; L4-H57 PolarHBondContact O-N 3.02Å; V5-H57 WeakPolarHBondContact CA-O 3.39Å; V6-H57 PolarHBondContact N-O 3.46Å; F25-H57 AromaticContact CD1-CD2 3.41Å; F25-H57 VanDerWaalsContact CD1-CD2 3.41Å; F25-H57 WeakPolarHBondContact CD1-CD2 3.45Å; F25-H57 AromaticContact CE1-CD2 3.64Å; S27-H57 PolarHBondContact OG-NE2 3.15Å |
| 58 | V | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.7 | -175.4 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | V6 L12 V24 F25 F26 S27 V56 V63 | V6-V58 HydrophobicContact CB-CG2 4.33Å; L12-V58 HydrophobicContact CD1-CG2 4.27Å; L12-V58 HydrophobicContact CD2-CG1 4.32Å; L12-V58 HydrophobicContact CD2-CG2 4.21Å; V24-V58 HydrophobicContact CG1-CG2 3.76Å; F25-V58 PolarHBondContact O-N 3.29Å; F26-V58 WeakPolarHBondContact CA-O 3.33Å; F26-V58 HydrophobicContact CD1-CB 4.34Å; F26-V58 HydrophobicContact CD1-CG1 4.47Å; F26-V58 HydrophobicContact CE1-CB 4.44Å; F26-V58 HydrophobicContact CE1-CG1 4.36Å; S27-V58 PolarHBondContact N-O 3.05Å; S27-V58 PolarHBondContact OG-O 3.29Å; V56-V58 HydrophobicContact CG1-CG2 3.64Å; V58-V63 HydrophobicContact CG1-CB 4.07Å; V58-V63 HydrophobicContact CG1-CG1 3.63Å; V58-V63 HydrophobicContact CG1-CG2 3.24Å |
| 59 | D | 97 | Very high | 94.3 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.6 | 164.2 | -175.2 | -38.9 | 0 | 0 | 0 | 108.7 | P29 E61 V62 V63 | P29-D59 WeakPolarHBondContact CD-OD2 3.19Å; D59-E61 PolarHBondContact O-N 3.11Å; D59-E61 WeakPolarHBondContact OD1-CB 3.33Å; D59-E61 PolarHBondContact OD1-N 3.39Å; D59-V62 HydrophobicContact CB-CB 3.94Å; D59-V62 HydrophobicContact CB-CG2 3.65Å; D59-V62 PolarHBondContact O-N 3.45Å; D59-V62 PolarHBondContact OD1-N 2.99Å; D59-V63 PolarHBondContact O-N 3.49Å |
| 60 | A | 96.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 49 Ų | 49 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F26 S27 S64 S67 I72 V75 | F26-A60 HydrophobicContact CB-CB 4.33Å; F26-A60 HydrophobicContact CD1-CB 4.24Å; S27-A60 PolarHBondContact O-N 2.98Å; A60-S64 PolarHBondContact O-N 2.79Å; A60-S67 PolarHBondContact O-OG 3.04Å; A60-I72 HydrophobicContact CB-CG2 4.48Å; A60-V75 HydrophobicContact CB-CG1 3.72Å |
| 61 | E | 94 | Very high | 95.1 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -37.6 | 177.6 | -61.2 | 174.9 | -152 | 0 | 0 | 110.6 | S28 D59 S64 | S28-E61 PolarHBondContact OG-OE1 3.5Å; D59-E61 PolarHBondContact O-N 3.11Å; D59-E61 WeakPolarHBondContact OD1-CB 3.33Å; D59-E61 PolarHBondContact OD1-N 3.39Å; E61-S64 PolarHBondContact O-N 2.85Å |
| 62 | V | 95.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 52 Ų | 52 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -41.5 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | N7 D59 | N7-V62 HydrophobicContact CB-CG1 4.1Å; N7-V62 WeakPolarHBondContact O-CG1 3.24Å; D59-V62 HydrophobicContact CB-CB 3.94Å; D59-V62 HydrophobicContact CB-CG2 3.65Å; D59-V62 PolarHBondContact O-N 3.45Å; D59-V62 PolarHBondContact OD1-N 2.99Å |
| 63 | V | 95.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 33.8 | 178 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | L12 F26 V58 D59 E65 V66 S67 | L12-V63 HydrophobicContact CD2-CG2 4.17Å; F26-V63 HydrophobicContact CE1-CG2 4.02Å; V58-V63 HydrophobicContact CG1-CB 4.07Å; V58-V63 HydrophobicContact CG1-CG1 3.63Å; V58-V63 HydrophobicContact CG1-CG2 3.24Å; D59-V63 PolarHBondContact O-N 3.49Å; V63-E65 PolarHBondContact O-N 2.83Å; V63-V66 HydrophobicContact CB-CB 4.45Å; V63-V66 PolarHBondContact O-N 3.38Å; V63-S67 WeakPolarHBondContact CG2-OG 3.43Å; V63-S67 PolarHBondContact O-N 2.63Å; V63-S67 PolarHBondContact O-OG 3.46Å |
| 64 | S | 94.2 | Very high | 95.9 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -44.7 | -36.8 | -170 | 61.4 | 0 | 0 | 0 | 0 | 116.4 | A60 E61 K68 | A60-S64 PolarHBondContact O-N 2.79Å; E61-S64 PolarHBondContact O-N 2.85Å; S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.29Å; S64-K68 PolarHBondContact O-N 3.35Å |
| 65 | E | 94.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 175.2 | -170.7 | -164.5 | -160.7 | 0 | 0 | 112.2 | R13 V63 K68 Q69 | R13-E65 IonicContact CZ-OE2 3.41Å; R13-E65 IonicContact NH1-OE2 2.97Å; R13-E65 PolarHBondContact NH1-OE2 2.95Å; R13-E65 IonicContact NH2-OE2 2.84Å; R13-E65 PolarHBondContact NH2-OE2 3.48Å; V63-E65 PolarHBondContact O-N 2.83Å; E65-K68 PolarHBondContact O-N 3.21Å; E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 3.02Å |
| 66 | V | 95.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | G9 L12 R13 V63 K68 Q69 L70 | G9-V66 VanDerWaalsContact CA-CG2 3.45Å; L12-V66 HydrophobicContact CD2-CB 4.2Å; L12-V66 HydrophobicContact CD2-CG1 3.58Å; L12-V66 HydrophobicContact CG-CG1 4.11Å; R13-V66 HydrophobicContact CG-CG2 4.05Å; V63-V66 HydrophobicContact CB-CB 4.45Å; V63-V66 PolarHBondContact O-N 3.38Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 2.78Å; V66-Q69 PolarHBondContact O-N 2.97Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; V66-L70 HydrophobicContact CG1-CD1 3.63Å; V66-L70 HydrophobicContact CG1-CG 4.1Å; V66-L70 WeakPolarHBondContact O-CB 3.42Å; V66-L70 WeakPolarHBondContact O-CG 3.3Å; V66-L70 PolarHBondContact O-N 3.02Å |
| 67 | S | 96.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 173.9 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | A60 V63 E71 I72 | A60-S67 PolarHBondContact O-OG 3.04Å; V63-S67 WeakPolarHBondContact CG2-OG 3.43Å; V63-S67 PolarHBondContact O-N 2.63Å; V63-S67 PolarHBondContact O-OG 3.46Å; S67-E71 PolarHBondContact O-N 2.95Å; S67-I72 WeakPolarHBondContact O-CB 3.21Å; S67-I72 WeakPolarHBondContact O-CG1 3.41Å; S67-I72 PolarHBondContact O-N 2.84Å |
| 68 | K | 95.5 | Very high | 95.9 | Very high | 166 Ų | 166 | 55.5 Ų | 55.5 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 175.2 | -73.4 | 173.1 | -176.9 | 178.8 | 0 | 112.4 | S64 E65 V66 L70 E71 | S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.29Å; S64-K68 PolarHBondContact O-N 3.35Å; E65-K68 PolarHBondContact O-N 3.21Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 2.78Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.2Å; K68-E71 PolarHBondContact O-N 3.23Å; K68-E71 VanDerWaalsContact O-N 3.15Å |
| 69 | Q | 94.6 | Very high | 95.9 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 178.7 | -74.3 | 171.1 | -13.5 | 0 | 0 | 112.7 | E65 V66 E71 | E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 3.02Å; V66-Q69 PolarHBondContact O-N 2.97Å; V66-Q69 VanDerWaalsContact O-N 3.14Å; Q69-E71 VanDerWaalsContact C-N 3.29Å |
| 70 | L | 94.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 9.2 | 178.1 | -64.7 | 174 | 0 | 0 | 0 | 113.2 | I16 F26 V66 K68 I72 L79 F81 R89 | I16-L70 HydrophobicContact CD1-CD1 3.88Å; F26-L70 HydrophobicContact CE2-CD1 4.28Å; F26-L70 HydrophobicContact CZ-CD1 3.71Å; V66-L70 HydrophobicContact CG1-CD1 3.63Å; V66-L70 HydrophobicContact CG1-CG 4.1Å; V66-L70 WeakPolarHBondContact O-CB 3.42Å; V66-L70 WeakPolarHBondContact O-CG 3.3Å; V66-L70 PolarHBondContact O-N 3.02Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.2Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 HydrophobicContact CB-CD1 4.35Å; L70-I72 HydrophobicContact CB-CG1 4.25Å; L70-I72 PolarHBondContact O-N 2.89Å; L70-L79 HydrophobicContact CB-CD1 4.13Å; L70-L79 HydrophobicContact CD1-CD1 4.06Å; L70-F81 HydrophobicContact CD1-CZ 4.49Å; L70-F81 HydrophobicContact CD2-CZ 4.21Å; L70-R89 PolarHBondContact O-NH1 3.01Å; L70-R89 PolarHBondContact O-NH2 2.89Å |
| 71 | E | 95.8 | Very high | 95.8 | Very high | 141 Ų | 141 | 53.6 Ų | 53.6 | 66% | 0.659 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 44.2 | -180 | -55.5 | -177.6 | 170.8 | 0 | 0 | 112.7 | S67 K68 Q69 I73 R89 | S67-E71 PolarHBondContact O-N 2.95Å; K68-E71 PolarHBondContact O-N 3.23Å; K68-E71 VanDerWaalsContact O-N 3.15Å; Q69-E71 VanDerWaalsContact C-N 3.29Å; E71-I73 PolarHBondContact O-N 3.44Å; E71-I73 VanDerWaalsContact O-N 3.13Å; E71-R89 PolarHBondContact O-NH1 3.23Å |
| 72 | I | 96.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | trans | -75.3 | 99.7 | 172.1 | -55.4 | -54.3 | 0 | 0 | 0 | 108.8 | F26 A60 S67 L70 V75 T77 L79 | F26-I72 HydrophobicContact CB-CG2 4.15Å; F26-I72 HydrophobicContact CD1-CD1 4.46Å; F26-I72 HydrophobicContact CD1-CG1 3.93Å; F26-I72 HydrophobicContact CD1-CG2 4.46Å; F26-I72 HydrophobicContact CD2-CD1 3.7Å; F26-I72 HydrophobicContact CD2-CG1 4.08Å; F26-I72 HydrophobicContact CE1-CG1 4Å; F26-I72 HydrophobicContact CE2-CD1 3.86Å; F26-I72 HydrophobicContact CE2-CG1 4.16Å; F26-I72 HydrophobicContact CG-CD1 4.03Å; F26-I72 HydrophobicContact CG-CG1 3.96Å; F26-I72 HydrophobicContact CG-CG2 4.3Å; F26-I72 HydrophobicContact CZ-CD1 4.31Å; F26-I72 HydrophobicContact CZ-CG1 4.12Å; A60-I72 HydrophobicContact CB-CG2 4.48Å; S67-I72 WeakPolarHBondContact O-CB 3.21Å; S67-I72 WeakPolarHBondContact O-CG1 3.41Å; S67-I72 PolarHBondContact O-N 2.84Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 HydrophobicContact CB-CD1 4.35Å; L70-I72 HydrophobicContact CB-CG1 4.25Å; L70-I72 PolarHBondContact O-N 2.89Å; I72-V75 HydrophobicContact CG2-CG1 4.39Å; I72-T77 HydrophobicContact CD1-CG2 3.85Å; I72-L79 HydrophobicContact CD1-CD1 3.92Å; I72-L79 HydrophobicContact CD1-CD2 4.35Å; I72-L79 HydrophobicContact CD1-CG 4.21Å | ||
| 73 | I | 94 | Very high | 94.9 | Very high | 159 Ų | 159 | 48.3 Ų | 48.3 | 82% | 0.815 | 25% | 0.247 | S | C | * | . | trans | -92 | -30 | -177.3 | -57 | 165.3 | 0 | 0 | 0 | 111.6 | E71 | E71-I73 PolarHBondContact O-N 3.44Å; E71-I73 VanDerWaalsContact O-N 3.13Å | ||
| 74 | S | 95.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -143.7 | 160.9 | -179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | T77 | S74-T77 WeakPolarHBondContact O-CB 3.5Å; S74-T77 PolarHBondContact O-OG1 3.46Å |
| 75 | V | 96.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -123.7 | 149.6 | 170.7 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | F26 V31 A60 I72 | F26-V75 HydrophobicContact CB-CG1 4.29Å; V31-V75 HydrophobicContact CB-CG2 4.29Å; V31-V75 HydrophobicContact CG2-CG2 3.84Å; A60-V75 HydrophobicContact CB-CG1 3.72Å; I72-V75 HydrophobicContact CG2-CG1 4.39Å |
| 76 | P | 97.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | S | Bend | cis | -68.8 | 140.2 | -3.6 | 29 | -34.3 | 0 | 0 | 0 | 112.1 | F25 F26 Q33 V37 G92 A93 | F25-P76 HydrophobicContact CE2-CB 3.59Å; F25-P76 HydrophobicContact CZ-CB 4.34Å; F26-P76 WeakPolarHBondContact O-CA 3.34Å; Q33-P76 HydrophobicContact CB-CG 4.15Å; V37-P76 HydrophobicContact CB-CB 4.32Å; V37-P76 HydrophobicContact CG2-CB 3.97Å; V37-P76 HydrophobicContact CG2-CG 3.89Å; P76-G92 WeakPolarHBondContact O-CA 3.37Å; P76-G92 PolarHBondContact O-N 3.46Å; P76-A93 HydrophobicContact CG-CB 4.2Å |
| 77 | T | 98.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.8 | 169.1 | -72.1 | 0 | 0 | 0 | 0 | 109.1 | F26 I72 S74 L79 R89 V90 | F26-T77 PolarHBondContact N-O 3.41Å; F26-T77 PolarHBondContact O-N 3.33Å; I72-T77 HydrophobicContact CD1-CG2 3.85Å; S74-T77 WeakPolarHBondContact O-CB 3.5Å; S74-T77 PolarHBondContact O-OG1 3.46Å; T77-L79 HydrophobicContact CG2-CD2 3.8Å; T77-L79 HydrophobicContact CG2-CG 4.38Å; T77-R89 HydrophobicContact CG2-CG 4.2Å; T77-V90 WeakPolarHBondContact CA-O 3.46Å |
| 78 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.4 | 177.4 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | V23 V24 F25 V37 L41 F80 R89 V90 I98 | V23-V78 HydrophobicContact CG1-CG1 3.51Å; V24-V78 WeakPolarHBondContact O-CA 3.25Å; F25-V78 HydrophobicContact CD2-CG2 4.03Å; V37-V78 HydrophobicContact CG1-CG2 3.7Å; L41-V78 HydrophobicContact CD1-CG2 4.31Å; L41-V78 HydrophobicContact CD2-CG1 4.48Å; V78-F80 HydrophobicContact CB-CE2 4.02Å; V78-F80 HydrophobicContact CB-CZ 4.14Å; V78-F80 HydrophobicContact CG1-CD2 4.48Å; V78-F80 HydrophobicContact CG1-CE1 4.14Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.48Å; V78-F80 VanDerWaalsContact CG1-CZ 3.48Å; V78-F80 WeakPolarHBondContact O-CE2 3.45Å; V78-R89 CarbonylContact O-C 3.51Å; V78-R89 WeakPolarHBondContact O-CA 3.39Å; V78-V90 PolarHBondContact N-O 2.86Å; V78-V90 PolarHBondContact O-N 3.26Å; V78-I98 HydrophobicContact CG2-CD1 4.03Å; V78-I98 HydrophobicContact CG2-CG1 4.16Å |
| 79 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 143.9 | 174.5 | -57.3 | -169.5 | 0 | 0 | 0 | 110.3 | V23 V24 F26 L70 I72 T77 F81 R89 | V23-L79 WeakPolarHBondContact CA-O 3.21Å; V24-L79 HydrophobicContact CB-CB 4.48Å; V24-L79 PolarHBondContact N-O 2.81Å; V24-L79 PolarHBondContact O-N 3.48Å; F26-L79 HydrophobicContact CD2-CG 4.37Å; F26-L79 HydrophobicContact CE2-CD1 3.84Å; F26-L79 HydrophobicContact CE2-CG 4.06Å; L70-L79 HydrophobicContact CB-CD1 4.13Å; L70-L79 HydrophobicContact CD1-CD1 4.06Å; I72-L79 HydrophobicContact CD1-CD1 3.92Å; I72-L79 HydrophobicContact CD1-CD2 4.35Å; I72-L79 HydrophobicContact CD1-CG 4.21Å; T77-L79 HydrophobicContact CG2-CD2 3.8Å; T77-L79 HydrophobicContact CG2-CG 4.38Å; L79-F81 HydrophobicContact CB-CD2 4.2Å; L79-F81 HydrophobicContact CB-CE2 3.46Å; L79-F81 VanDerWaalsContact CB-CE2 3.46Å; L79-F81 HydrophobicContact CB-CZ 4.04Å; L79-F81 HydrophobicContact CD1-CE2 3.98Å; L79-F81 HydrophobicContact CD1-CZ 3.8Å; L79-F81 HydrophobicContact CG-CE2 4.38Å; L79-R89 HydrophobicContact CD2-CB 3.75Å; L79-R89 HydrophobicContact CD2-CG 3.51Å; L79-R89 VanDerWaalsContact CD2-CZ 3.43Å |
| 80 | F | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.1 | -179.2 | -57.7 | -96.5 | 0 | 0 | 0 | 108.1 | V23 V78 I87 N88 V90 V102 L105 | V23-F80 HydrophobicContact CG1-CD1 4.49Å; V23-F80 HydrophobicContact CG1-CE1 4.19Å; V23-F80 HydrophobicContact CG2-CD1 3.83Å; V23-F80 HydrophobicContact CG2-CE1 4.05Å; V78-F80 HydrophobicContact CB-CE2 4.02Å; V78-F80 HydrophobicContact CB-CZ 4.14Å; V78-F80 HydrophobicContact CG1-CD2 4.48Å; V78-F80 HydrophobicContact CG1-CE1 4.14Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.48Å; V78-F80 VanDerWaalsContact CG1-CZ 3.48Å; V78-F80 WeakPolarHBondContact O-CE2 3.45Å; F80-I87 HydrophobicContact CB-CD1 4.46Å; F80-I87 HydrophobicContact CB-CG1 3.95Å; F80-I87 VanDerWaalsContact O-CG1 3.29Å; F80-I87 WeakPolarHBondContact O-CG1 3.34Å; F80-I87 PolarHBondContact O-N 2.93Å; F80-N88 HydrophobicContact CB-CB 4.13Å; F80-N88 HydrophobicContact CD2-CB 4Å; F80-N88 WeakPolarHBondContact CD2-O 3.35Å; F80-N88 HydrophobicContact CG-CB 4.31Å; F80-N88 PolarHBondContact N-O 3.35Å; F80-N88 PolarHBondContact O-N 3.46Å; F80-V90 HydrophobicContact CE2-CB 4.38Å; F80-V90 HydrophobicContact CE2-CG2 3.85Å; F80-V90 HydrophobicContact CZ-CG2 4.44Å; F80-V102 HydrophobicContact CE1-CG2 3.77Å; F80-L105 HydrophobicContact CD1-CD2 4.44Å |
| 81 | F | 93.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.8 | -179 | -64.1 | -92 | 0 | 0 | 0 | 111 | I16 L22 V24 L70 L79 E85 E86 | I16-F81 HydrophobicContact CD1-CE1 4.4Å; I16-F81 HydrophobicContact CD1-CE2 4.27Å; I16-F81 HydrophobicContact CD1-CZ 3.96Å; I16-F81 HydrophobicContact CG1-CD2 4.42Å; I16-F81 HydrophobicContact CG1-CE1 4.36Å; I16-F81 HydrophobicContact CG1-CE2 4.16Å; I16-F81 HydrophobicContact CG1-CZ 4.14Å; I16-F81 HydrophobicContact CG2-CD1 3.76Å; I16-F81 HydrophobicContact CG2-CE1 3.75Å; I16-F81 HydrophobicContact CG2-CG 4.39Å; I16-F81 HydrophobicContact CG2-CZ 4.36Å; L22-F81 HydrophobicContact CB-CB 4.13Å; L22-F81 HydrophobicContact CD2-CB 4.47Å; L22-F81 HydrophobicContact CD2-CD2 4.21Å; L22-F81 HydrophobicContact CG-CD2 4.43Å; L22-F81 PolarHBondContact N-O 3.49Å; L22-F81 PolarHBondContact O-N 3.34Å; V24-F81 HydrophobicContact CB-CE2 4.27Å; V24-F81 HydrophobicContact CG2-CD2 3.87Å; V24-F81 HydrophobicContact CG2-CE2 3.73Å; L70-F81 HydrophobicContact CD1-CZ 4.49Å; L70-F81 HydrophobicContact CD2-CZ 4.21Å; L79-F81 HydrophobicContact CB-CD2 4.2Å; L79-F81 HydrophobicContact CB-CE2 3.46Å; L79-F81 VanDerWaalsContact CB-CE2 3.46Å; L79-F81 HydrophobicContact CB-CZ 4.04Å; L79-F81 HydrophobicContact CD1-CE2 3.98Å; L79-F81 HydrophobicContact CD1-CZ 3.8Å; L79-F81 HydrophobicContact CG-CE2 4.38Å; F81-E85 CarbonylContact C-O 3.51Å; F81-E85 WeakPolarHBondContact CA-O 3.19Å; F81-E86 HydrophobicContact CD1-CB 4.08Å; F81-E86 HydrophobicContact CE1-CB 3.8Å; F81-E86 HydrophobicContact CE1-CG 4.49Å; F81-E86 HydrophobicContact CZ-CB 4.46Å |
| 82 | Q | 86.9 | Confident | 93.5 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 121.4 | 169.2 | -171.4 | 176.2 | -6 | 0 | 0 | 109.4 | R20 G84 E85 I87 L105 | R20-Q82 CarbonylContact O-C 3.57Å; R20-Q82 VanDerWaalsContact O-CA 3.26Å; R20-Q82 WeakPolarHBondContact O-CA 3.3Å; Q82-G84 VanDerWaalsContact C-N 3.3Å; Q82-G84 PolarHBondContact O-N 3.11Å; Q82-E85 PolarHBondContact N-O 3.49Å; Q82-E85 PolarHBondContact O-N 3.48Å; Q82-E85 VanDerWaalsContact O-N 3.14Å; Q82-I87 HydrophobicContact CB-CD1 4.26Å; Q82-I87 HydrophobicContact CB-CG2 3.82Å; Q82-L105 HydrophobicContact CB-CD1 4.07Å; Q82-L105 HydrophobicContact CG-CD1 4.46Å |
| 83 | L | 84 | Confident | 93.4 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.8 | 179.2 | -64.9 | 167 | 0 | 0 | 0 | 113.3 | R20 E85 S113 D116 | R20-L83 HydrophobicContact CB-CD2 4.47Å; R20-L83 HydrophobicContact CG-CD2 3.93Å; R20-L83 HydrophobicContact CG-CG 4.37Å; R20-L83 PolarHBondContact O-N 3.06Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 2.8Å; L83-S113 WeakPolarHBondContact CD1-OG 3.25Å; L83-D116 HydrophobicContact CD1-CB 4.37Å |
| 84 | G | 86.5 | Confident | 93.4 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 32% | 0.32 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -13 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | I16 Q82 | I16-G84 VanDerWaalsContact O-CA 3.26Å; I16-G84 WeakPolarHBondContact O-CA 3.48Å; Q82-G84 VanDerWaalsContact C-N 3.3Å; Q82-G84 PolarHBondContact O-N 3.11Å |
| 85 | E | 87.8 | Confident | 93.4 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 138.1 | -178 | -65.8 | -174.1 | 167.5 | 0 | 0 | 111.7 | F81 Q82 L83 I87 N115 | F81-E85 CarbonylContact C-O 3.51Å; F81-E85 WeakPolarHBondContact CA-O 3.19Å; Q82-E85 PolarHBondContact N-O 3.49Å; Q82-E85 PolarHBondContact O-N 3.48Å; Q82-E85 VanDerWaalsContact O-N 3.14Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 2.8Å; E85-I87 PolarHBondContact O-N 3.42Å; E85-N115 PolarHBondContact OE1-ND2 3Å |
| 86 | E | 90.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 114.2 | 168.8 | -177.5 | -179.6 | 150.1 | 0 | 0 | 109.1 | F81 R89 | F81-E86 HydrophobicContact CD1-CB 4.08Å; F81-E86 HydrophobicContact CE1-CB 3.8Å; F81-E86 HydrophobicContact CE1-CG 4.49Å; F81-E86 HydrophobicContact CZ-CB 4.46Å; E86-R89 IonicContact OE1-CZ 2.84Å; E86-R89 VanDerWaalsContact OE1-CZ 3.24Å; E86-R89 IonicContact OE1-NE 2.86Å; E86-R89 PolarHBondContact OE1-NE 2.83Å; E86-R89 IonicContact OE1-NH2 2.72Å; E86-R89 PolarHBondContact OE1-NH2 3.01Å; E86-R89 IonicContact OE2-CZ 3.76Å; E86-R89 IonicContact OE2-NH2 2.63Å; E86-R89 PolarHBondContact OE2-NH2 2.73Å |
| 87 | I | 89.6 | Confident | 93.1 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -23 | -179.9 | 61.9 | 159.9 | 0 | 0 | 0 | 112.6 | F80 Q82 E85 L105 | F80-I87 HydrophobicContact CB-CD1 4.46Å; F80-I87 HydrophobicContact CB-CG1 3.95Å; F80-I87 VanDerWaalsContact O-CG1 3.29Å; F80-I87 WeakPolarHBondContact O-CG1 3.34Å; F80-I87 PolarHBondContact O-N 2.93Å; Q82-I87 HydrophobicContact CB-CD1 4.26Å; Q82-I87 HydrophobicContact CB-CG2 3.82Å; E85-I87 PolarHBondContact O-N 3.42Å; I87-L105 HydrophobicContact CD1-CD1 3.68Å |
| 88 | N | 92.4 | Very high | 93 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 163.4 | 177.6 | -159 | 15 | 0 | 0 | 0 | 112.1 | F80 S101 | F80-N88 HydrophobicContact CB-CB 4.13Å; F80-N88 HydrophobicContact CD2-CB 4Å; F80-N88 WeakPolarHBondContact CD2-O 3.35Å; F80-N88 HydrophobicContact CG-CB 4.31Å; F80-N88 PolarHBondContact N-O 3.35Å; F80-N88 PolarHBondContact O-N 3.46Å; N88-S101 PolarHBondContact ND2-OG 3.32Å |
| 89 | R | 96.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 44 Ų | 44 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 137.6 | 177.6 | 171 | 178.4 | -49.1 | -125.6 | 1.6 | 110.4 | L70 E71 T77 V78 L79 E86 | L70-R89 PolarHBondContact O-NH1 3.01Å; L70-R89 PolarHBondContact O-NH2 2.89Å; E71-R89 PolarHBondContact O-NH1 3.23Å; T77-R89 HydrophobicContact CG2-CG 4.2Å; V78-R89 CarbonylContact O-C 3.51Å; V78-R89 WeakPolarHBondContact O-CA 3.39Å; L79-R89 HydrophobicContact CD2-CB 3.75Å; L79-R89 HydrophobicContact CD2-CG 3.51Å; L79-R89 VanDerWaalsContact CD2-CZ 3.43Å; E86-R89 IonicContact OE1-CZ 2.84Å; E86-R89 VanDerWaalsContact OE1-CZ 3.24Å; E86-R89 IonicContact OE1-NE 2.86Å; E86-R89 PolarHBondContact OE1-NE 2.83Å; E86-R89 IonicContact OE1-NH2 2.72Å; E86-R89 PolarHBondContact OE1-NH2 3.01Å; E86-R89 IonicContact OE2-CZ 3.76Å; E86-R89 IonicContact OE2-NH2 2.63Å; E86-R89 PolarHBondContact OE2-NH2 2.73Å |
| 90 | V | 96.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.2 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | T77 V78 F80 D97 I98 | T77-V90 WeakPolarHBondContact CA-O 3.46Å; V78-V90 PolarHBondContact N-O 2.86Å; V78-V90 PolarHBondContact O-N 3.26Å; F80-V90 HydrophobicContact CE2-CB 4.38Å; F80-V90 HydrophobicContact CE2-CG2 3.85Å; F80-V90 HydrophobicContact CZ-CG2 4.44Å; V90-D97 HydrophobicContact CG1-CB 4.1Å; V90-D97 HydrophobicContact CG2-CB 3.91Å; V90-I98 HydrophobicContact CB-CG1 4.17Å; V90-I98 HydrophobicContact CG1-CG1 3.93Å; V90-I98 HydrophobicContact CG2-CG1 4.42Å |
| 91 | C | 94.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.2 | 174.1 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 92 | G | 94.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 83.9 | -174 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P76 S94 | P76-G92 WeakPolarHBondContact O-CA 3.37Å; P76-G92 PolarHBondContact O-N 3.46Å; G92-S94 VanDerWaalsContact C-N 3.33Å; G92-S94 PolarHBondContact O-N 3.41Å |
| 93 | A | 94.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93.9 | 44.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q33 V37 P76 I95 | Q33-A93 HydrophobicContact CB-CB 4.04Å; V37-A93 HydrophobicContact CG2-CB 3.77Å; P76-A93 HydrophobicContact CG-CB 4.2Å; A93-I95 PolarHBondContact O-N 3.48Å |
| 94 | S | 93.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | trans | -77.2 | 91.8 | 175.6 | -174 | 0 | 0 | 0 | 0 | 110.7 | G92 D97 I98 | G92-S94 VanDerWaalsContact C-N 3.33Å; G92-S94 PolarHBondContact O-N 3.41Å; S94-D97 VanDerWaalsContact CB-OD2 3.28Å; S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact O-N 3.43Å; S94-D97 WeakPolarHBondContact OG-CB 3.4Å; S94-D97 PolarHBondContact OG-OD2 2.69Å; S94-I98 WeakPolarHBondContact O-CD1 3.3Å; S94-I98 VanDerWaalsContact O-CG1 3.27Å; S94-I98 WeakPolarHBondContact O-CG1 3.39Å; S94-I98 PolarHBondContact O-N 3.44Å | ||
| 95 | I | 94.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 178.4 | -56.7 | -42.2 | 0 | 0 | 0 | 112.6 | Q36 V37 V40 A93 D97 I98 T99 | Q36-I95 HydrophobicContact CG-CD1 4.2Å; Q36-I95 HydrophobicContact CG-CG1 4.42Å; V37-I95 HydrophobicContact CG2-CD1 4.4Å; V40-I95 HydrophobicContact CB-CD1 4.21Å; V40-I95 HydrophobicContact CG1-CD1 4.49Å; V40-I95 HydrophobicContact CG1-CG2 4.11Å; V40-I95 HydrophobicContact CG2-CD1 3.71Å; V40-I95 HydrophobicContact CG2-CG1 4.14Å; V40-I95 HydrophobicContact CG2-CG2 3.89Å; A93-I95 PolarHBondContact O-N 3.48Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 2.98Å; I95-I98 HydrophobicContact CD1-CD1 4.28Å; I95-I98 PolarHBondContact O-N 3.06Å; I95-T99 WeakPolarHBondContact O-CB 3.5Å; I95-T99 PolarHBondContact O-N 2.89Å; I95-T99 PolarHBondContact O-OG1 3.28Å; I95-T99 VanDerWaalsContact O-OG1 3.1Å |
| 96 | P | 93.7 | Very high | 92 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.7 | -41.9 | 177.9 | -24.4 | 35.3 | 0 | 0 | 0 | 112.9 | K100 | P96-K100 VanDerWaalsContact O-CB 3.22Å; P96-K100 WeakPolarHBondContact O-CB 3.42Å; P96-K100 PolarHBondContact O-N 3.37Å |
| 97 | D | 93.3 | Very high | 91 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 43% | 0.428 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.8 | -37.7 | -178.6 | -62.7 | -34.2 | 0 | 0 | 0 | 111.7 | V90 S94 I95 S101 | V90-D97 HydrophobicContact CG1-CB 4.1Å; V90-D97 HydrophobicContact CG2-CB 3.91Å; S94-D97 VanDerWaalsContact CB-OD2 3.28Å; S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact O-N 3.43Å; S94-D97 WeakPolarHBondContact OG-CB 3.4Å; S94-D97 PolarHBondContact OG-OD2 2.69Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 2.98Å; D97-S101 VanDerWaalsContact O-CB 3.25Å; D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.4Å; D97-S101 PolarHBondContact O-OG 3.43Å |
| 98 | I | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -52.4 | 173.8 | -68.2 | 162.7 | 0 | 0 | 0 | 110 | V37 V40 L41 L44 V78 V90 S94 I95 K100 S101 V102 | V37-I98 HydrophobicContact CB-CD1 4.48Å; V37-I98 HydrophobicContact CG1-CD1 3.9Å; V37-I98 HydrophobicContact CG2-CD1 3.94Å; V40-I98 HydrophobicContact CG1-CG2 4.42Å; L41-I98 HydrophobicContact CD2-CG2 3.73Å; L44-I98 HydrophobicContact CD1-CG2 4.29Å; V78-I98 HydrophobicContact CG2-CD1 4.03Å; V78-I98 HydrophobicContact CG2-CG1 4.16Å; V90-I98 HydrophobicContact CB-CG1 4.17Å; V90-I98 HydrophobicContact CG1-CG1 3.93Å; V90-I98 HydrophobicContact CG2-CG1 4.42Å; S94-I98 WeakPolarHBondContact O-CD1 3.3Å; S94-I98 VanDerWaalsContact O-CG1 3.27Å; S94-I98 WeakPolarHBondContact O-CG1 3.39Å; S94-I98 PolarHBondContact O-N 3.44Å; I95-I98 HydrophobicContact CD1-CD1 4.28Å; I95-I98 PolarHBondContact O-N 3.06Å; I98-K100 PolarHBondContact O-N 2.89Å; I98-S101 PolarHBondContact O-N 3.23Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.28Å |
| 99 | T | 93.4 | Very high | 87.4 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | L44 I95 S101 V102 M103 | L44-T99 HydrophobicContact CD2-CG2 4.48Å; I95-T99 WeakPolarHBondContact O-CB 3.5Å; I95-T99 PolarHBondContact O-N 2.89Å; I95-T99 PolarHBondContact O-OG1 3.28Å; I95-T99 VanDerWaalsContact O-OG1 3.1Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 2.71Å; T99-V102 PolarHBondContact O-N 3.4Å; T99-M103 HydrophobicContact CG2-CE 3.62Å; T99-M103 HydrophobicContact CG2-SD 4.14Å; T99-M103 VanDerWaalsContact O-CG 3.31Å; T99-M103 WeakPolarHBondContact O-CG 3.48Å; T99-M103 PolarHBondContact O-N 3.22Å |
| 100 | K | 89.4 | Confident | 85 | Confident | 131 Ų | 131 | 49.4 Ų | 49.4 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 176.4 | -176.4 | -179.2 | 178.1 | -175.2 | 0 | 112.2 | P96 I98 M103 N104 | P96-K100 VanDerWaalsContact O-CB 3.22Å; P96-K100 WeakPolarHBondContact O-CB 3.42Å; P96-K100 PolarHBondContact O-N 3.37Å; I98-K100 PolarHBondContact O-N 2.89Å; K100-M103 PolarHBondContact O-N 2.98Å; K100-N104 VanDerWaalsContact O-CG 3.27Å; K100-N104 PolarHBondContact O-N 2.85Å |
| 101 | S | 92.4 | Very high | 82.2 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 179 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | N88 D97 I98 T99 N104 L105 | N88-S101 PolarHBondContact ND2-OG 3.32Å; D97-S101 VanDerWaalsContact O-CB 3.25Å; D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.4Å; D97-S101 PolarHBondContact O-OG 3.43Å; I98-S101 PolarHBondContact O-N 3.23Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 2.71Å; S101-N104 PolarHBondContact O-N 2.82Å; S101-L105 WeakPolarHBondContact O-CB 3.23Å; S101-L105 PolarHBondContact O-N 3.29Å |
| 102 | V | 93.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | V23 L44 N50 I53 F55 F80 I98 T99 N104 L105 Q106 | V23-V102 HydrophobicContact CG2-CG2 4.41Å; L44-V102 HydrophobicContact CD1-CB 4.24Å; L44-V102 HydrophobicContact CD1-CG1 4.46Å; L44-V102 HydrophobicContact CD1-CG2 3.87Å; L44-V102 HydrophobicContact CD2-CG1 4.47Å; N50-V102 WeakPolarHBondContact OD1-CG1 3.28Å; I53-V102 HydrophobicContact CD1-CG1 4.19Å; F55-V102 HydrophobicContact CE1-CG2 4.1Å; F55-V102 HydrophobicContact CZ-CG1 4.11Å; F55-V102 HydrophobicContact CZ-CG2 4.46Å; F80-V102 HydrophobicContact CE1-CG2 3.77Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.28Å; T99-V102 PolarHBondContact O-N 3.4Å; V102-N104 VanDerWaalsContact C-N 3.3Å; V102-N104 PolarHBondContact O-N 3.19Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 PolarHBondContact O-N 3.02Å; V102-L105 VanDerWaalsContact O-N 3.1Å; V102-Q106 HydrophobicContact CG1-CG 4.42Å; V102-Q106 WeakPolarHBondContact O-CG 3.24Å; V102-Q106 PolarHBondContact O-N 3.25Å |
| 103 | M | 88.1 | Confident | 76.8 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 176.8 | -71.2 | 172.1 | 174 | 0 | 0 | 112.9 | T99 K100 Q106 S107 | T99-M103 HydrophobicContact CG2-CE 3.62Å; T99-M103 HydrophobicContact CG2-SD 4.14Å; T99-M103 VanDerWaalsContact O-CG 3.31Å; T99-M103 WeakPolarHBondContact O-CG 3.48Å; T99-M103 PolarHBondContact O-N 3.22Å; K100-M103 PolarHBondContact O-N 2.98Å; M103-Q106 WeakPolarHBondContact O-CB 3.1Å; M103-Q106 PolarHBondContact O-N 2.64Å; M103-S107 WeakPolarHBondContact O-CB 3.1Å; M103-S107 PolarHBondContact O-N 2.83Å; M103-S107 PolarHBondContact O-OG 3.45Å |
| 104 | N | 85.8 | Confident | 74.3 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 174.1 | -71.9 | -15 | 0 | 0 | 0 | 111.5 | K100 S101 V102 S107 A108 | K100-N104 VanDerWaalsContact O-CG 3.27Å; K100-N104 PolarHBondContact O-N 2.85Å; S101-N104 PolarHBondContact O-N 2.82Å; V102-N104 VanDerWaalsContact C-N 3.3Å; V102-N104 PolarHBondContact O-N 3.19Å; N104-S107 PolarHBondContact O-N 3.28Å; N104-A108 WeakPolarHBondContact O-CB 3.3Å; N104-A108 PolarHBondContact O-N 2.77Å |
| 105 | L | 87.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.4 | -34 | 177 | -174.4 | 62.7 | 0 | 0 | 0 | 112.2 | K21 V23 I53 F80 Q82 I87 S101 V102 | K21-L105 HydrophobicContact CB-CD1 4.04Å; K21-L105 HydrophobicContact CB-CD2 4.26Å; K21-L105 HydrophobicContact CB-CG 4.07Å; K21-L105 HydrophobicContact CD-CD1 4.44Å; K21-L105 HydrophobicContact CD-CG 4.38Å; K21-L105 WeakPolarHBondContact CD-O 3.25Å; K21-L105 WeakPolarHBondContact CE-O 3.29Å; K21-L105 HydrophobicContact CG-CD1 3.88Å; K21-L105 HydrophobicContact CG-CG 4.2Å; K21-L105 PolarHBondContact NZ-O 3.35Å; V23-L105 HydrophobicContact CG2-CD2 3.8Å; I53-L105 HydrophobicContact CD1-CB 4.19Å; I53-L105 HydrophobicContact CD1-CD2 4.09Å; I53-L105 HydrophobicContact CD1-CG 4Å; I53-L105 HydrophobicContact CG1-CD2 4.42Å; I53-L105 HydrophobicContact CG1-CG 4.41Å; I53-L105 HydrophobicContact CG2-CD2 3.85Å; F80-L105 HydrophobicContact CD1-CD2 4.44Å; Q82-L105 HydrophobicContact CB-CD1 4.07Å; Q82-L105 HydrophobicContact CG-CD1 4.46Å; I87-L105 HydrophobicContact CD1-CD1 3.68Å; S101-L105 WeakPolarHBondContact O-CB 3.23Å; S101-L105 PolarHBondContact O-N 3.29Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 PolarHBondContact O-N 3.02Å; V102-L105 VanDerWaalsContact O-N 3.1Å |
| 106 | Q | 81.7 | Confident | 70.8 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.3 | -54.4 | 170 | -70.1 | 169.8 | -9.9 | 0 | 0 | 110.5 | K21 N50 I53 V102 M103 A108 | K21-Q106 PolarHBondContact NZ-O 2.76Å; N50-Q106 PolarHBondContact ND2-NE2 2.81Å; N50-Q106 VanDerWaalsContact OD1-CD 3.22Å; N50-Q106 WeakPolarHBondContact OD1-CG 3.29Å; N50-Q106 PolarHBondContact OD1-NE2 3.45Å; I53-Q106 HydrophobicContact CD1-CG 3.81Å; V102-Q106 HydrophobicContact CG1-CG 4.42Å; V102-Q106 WeakPolarHBondContact O-CG 3.24Å; V102-Q106 PolarHBondContact O-N 3.25Å; M103-Q106 WeakPolarHBondContact O-CB 3.1Å; M103-Q106 PolarHBondContact O-N 2.64Å; Q106-A108 PolarHBondContact O-N 3.21Å |
| 107 | S | 69.8 | Low | 70.2 | Confident | 93 Ų | 93 | 54 Ų | 54 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.7 | -14.8 | -174 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | M103 N104 P109 | M103-S107 WeakPolarHBondContact O-CB 3.1Å; M103-S107 PolarHBondContact O-N 2.83Å; M103-S107 PolarHBondContact O-OG 3.45Å; N104-S107 PolarHBondContact O-N 3.28Å; S107-P109 WeakPolarHBondContact O-CD 3.07Å |
| 108 | A | 57.4 | Low | 69.5 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -54.8 | 116.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | K21 N104 Q106 A110 | K21-A108 PolarHBondContact NZ-O 3.4Å; N104-A108 WeakPolarHBondContact O-CB 3.3Å; N104-A108 PolarHBondContact O-N 2.77Å; Q106-A108 PolarHBondContact O-N 3.21Å; A108-A110 PolarHBondContact O-N 2.66Å |
| 109 | P | 49.2 | Very low | 68.6 | Low | 74 Ų | 74 | 55.7 Ų | 55.7 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | trans | -57.1 | 137.9 | -168.4 | 23.6 | -33.5 | 0 | 0 | 0 | 107.5 | S107 N111 | S107-P109 WeakPolarHBondContact O-CD 3.07Å; P109-N111 VanDerWaalsContact CB-O 3.25Å; P109-N111 WeakPolarHBondContact CB-O 3.47Å; P109-N111 VanDerWaalsContact CG-O 3.29Å; P109-N111 WeakPolarHBondContact CG-O 3.17Å; P109-N111 PolarHBondContact O-N 2.83Å | ||
| 110 | A | 46.1 | Very low | 68.3 | Low | 49 Ų | 49 | 58.7 Ų | 58.7 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -47.3 | -24.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R20 A108 | R20-A110 PolarHBondContact NH2-O 3.38Å; A108-A110 PolarHBondContact O-N 2.66Å |
| 111 | N | 36.2 | Very low | 68.4 | Low | 127 Ų | 127 | 52.5 Ų | 52.5 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -123.1 | 107.6 | 173.8 | -56.1 | -29 | 0 | 0 | 0 | 110.1 | P109 D116 | P109-N111 VanDerWaalsContact CB-O 3.25Å; P109-N111 WeakPolarHBondContact CB-O 3.47Å; P109-N111 VanDerWaalsContact CG-O 3.29Å; P109-N111 WeakPolarHBondContact CG-O 3.17Å; P109-N111 PolarHBondContact O-N 2.83Å; N111-D116 WeakPolarHBondContact CA-OD2 3.42Å |
| 112 | G | 38.1 | Very low | 68.2 | Low | 41 Ų | 41 | 56.8 Ų | 56.8 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | trans | 136.1 | 52.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | D116 | G112-D116 WeakPolarHBondContact CA-OD2 3.38Å; G112-D116 PolarHBondContact N-OD2 2.84Å | ||
| 113 | S | 38.6 | Very low | 68 | Low | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -74.3 | 162.3 | 149.2 | 80 | 0 | 0 | 0 | 0 | 109 | L83 N115 D116 L117 | L83-S113 WeakPolarHBondContact CD1-OG 3.25Å; S113-N115 PolarHBondContact O-N 3.14Å; S113-N115 VanDerWaalsContact O-N 3.12Å; S113-N115 WeakPolarHBondContact OG-CA 2.99Å; S113-N115 WeakPolarHBondContact OG-CB 3.09Å; S113-N115 PolarHBondContact OG-N 3.48Å; S113-N115 VanDerWaalsContact OG-N 3.1Å; S113-D116 CarbonylContact O-C 3.59Å; S113-D116 WeakPolarHBondContact O-CA 3.36Å; S113-D116 WeakPolarHBondContact O-CB 3.41Å; S113-D116 PolarHBondContact O-N 3.37Å; S113-D116 PolarHBondContact OG-N 3.33Å; S113-L117 PolarHBondContact O-N 3.38Å |
| 114 | P | 42.7 | Very low | 68.2 | Low | 92 Ų | 92 | 57.2 Ų | 57.2 | 60% | 0.597 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -51.8 | -31.2 | 167.6 | -24.3 | 34 | 0 | 0 | 0 | 112.3 | S118 | P114-S118 WeakPolarHBondContact O-CB 3.5Å; P114-S118 PolarHBondContact O-N 3.42Å; P114-S118 PolarHBondContact O-OG 3.1Å |
| 115 | N | 51 | Low | 68.7 | Low | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.1 | -33.9 | 171.4 | -76.2 | -22.7 | 0 | 0 | 0 | 113.2 | E85 S113 S119 | E85-N115 PolarHBondContact OE1-ND2 3Å; S113-N115 PolarHBondContact O-N 3.14Å; S113-N115 VanDerWaalsContact O-N 3.12Å; S113-N115 WeakPolarHBondContact OG-CA 2.99Å; S113-N115 WeakPolarHBondContact OG-CB 3.09Å; S113-N115 PolarHBondContact OG-N 3.48Å; S113-N115 VanDerWaalsContact OG-N 3.1Å; N115-S119 WeakPolarHBondContact O-CB 3.43Å; N115-S119 PolarHBondContact O-N 3.22Å; N115-S119 PolarHBondContact O-OG 2.83Å |
| 116 | D | 64.2 | Low | 68.9 | Low | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 173.2 | -172.7 | 52.8 | 0 | 0 | 0 | 111.4 | L83 N111 G112 S113 S119 R120 | L83-D116 HydrophobicContact CD1-CB 4.37Å; N111-D116 WeakPolarHBondContact CA-OD2 3.42Å; G112-D116 WeakPolarHBondContact CA-OD2 3.38Å; G112-D116 PolarHBondContact N-OD2 2.84Å; S113-D116 CarbonylContact O-C 3.59Å; S113-D116 WeakPolarHBondContact O-CA 3.36Å; S113-D116 WeakPolarHBondContact O-CB 3.41Å; S113-D116 PolarHBondContact O-N 3.37Å; S113-D116 PolarHBondContact OG-N 3.33Å; D116-S119 PolarHBondContact O-N 3.07Å; D116-R120 WeakPolarHBondContact O-CB 3.02Å; D116-R120 PolarHBondContact O-N 2.83Å |
| 117 | L | 79.9 | Confident | 69.4 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 173.6 | -177.8 | 55.4 | 0 | 0 | 0 | 110.4 | S113 S119 R120 L121 V170 | S113-L117 PolarHBondContact O-N 3.38Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.2Å; L117-R120 PolarHBondContact O-N 3.41Å; L117-L121 HydrophobicContact CD1-CD1 4.14Å; L117-L121 HydrophobicContact CD1-CD2 4.31Å; L117-L121 HydrophobicContact CD1-CG 3.94Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 HydrophobicContact CG-CG 4.22Å; L117-L121 WeakPolarHBondContact O-CB 3.33Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.2Å; L117-V170 HydrophobicContact CD1-CG1 3.78Å; L117-V170 HydrophobicContact CD2-CG1 3.99Å; L117-V170 HydrophobicContact CG-CG1 4.49Å |
| 118 | S | 78.1 | Confident | 70.6 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | P114 L121 H122 | P114-S118 WeakPolarHBondContact O-CB 3.5Å; P114-S118 PolarHBondContact O-N 3.42Å; P114-S118 PolarHBondContact O-OG 3.1Å; S118-L121 PolarHBondContact O-N 3Å; S118-H122 VanDerWaalsContact O-CB 3.25Å; S118-H122 WeakPolarHBondContact O-CB 3.32Å; S118-H122 PolarHBondContact O-N 3.15Å |
| 119 | S | 78.5 | Confident | 72.4 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.8 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | N115 D116 L117 H122 S123 | N115-S119 WeakPolarHBondContact O-CB 3.43Å; N115-S119 PolarHBondContact O-N 3.22Å; N115-S119 PolarHBondContact O-OG 2.83Å; D116-S119 PolarHBondContact O-N 3.07Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.2Å; S119-H122 WeakPolarHBondContact O-CB 3.08Å; S119-H122 PolarHBondContact O-N 3.48Å; S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.9Å; S119-S123 PolarHBondContact O-OG 2.92Å; S119-S123 VanDerWaalsContact O-OG 3.11Å |
| 120 | R | 85.9 | Confident | 74.7 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.1 | -176.6 | 178.2 | -172.2 | -146.4 | -6.1 | 111.4 | D116 L117 S123 L124 D168 | D116-R120 WeakPolarHBondContact O-CB 3.02Å; D116-R120 PolarHBondContact O-N 2.83Å; L117-R120 PolarHBondContact O-N 3.41Å; R120-S123 PolarHBondContact O-N 3.31Å; R120-L124 HydrophobicContact CG-CD1 4.23Å; R120-L124 WeakPolarHBondContact O-CB 3.47Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.33Å; R120-L124 PolarHBondContact O-N 3.1Å; R120-D168 IonicContact CZ-OD2 2.79Å; R120-D168 IonicContact NH1-OD1 3.92Å; R120-D168 IonicContact NH1-OD2 2.78Å; R120-D168 PolarHBondContact NH1-OD2 2.81Å; R120-D168 IonicContact NH2-OD2 3.73Å; R120-D168 PolarHBondContact NH2-OD2 3.31Å |
| 121 | L | 91.3 | Very high | 77.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.2 | -68.1 | 174.3 | 0 | 0 | 0 | 110.4 | L117 S118 S123 L124 I125 V171 G174 L175 Y178 | L117-L121 HydrophobicContact CD1-CD1 4.14Å; L117-L121 HydrophobicContact CD1-CD2 4.31Å; L117-L121 HydrophobicContact CD1-CG 3.94Å; L117-L121 HydrophobicContact CG-CD1 3.94Å; L117-L121 HydrophobicContact CG-CG 4.22Å; L117-L121 WeakPolarHBondContact O-CB 3.33Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.2Å; S118-L121 PolarHBondContact O-N 3Å; L121-S123 PolarHBondContact O-N 3.22Å; L121-L124 PolarHBondContact O-N 2.86Å; L121-I125 WeakPolarHBondContact O-CB 3.33Å; L121-I125 WeakPolarHBondContact O-CD1 3.45Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.85Å; L121-V171 HydrophobicContact CD2-CB 4.31Å; L121-V171 HydrophobicContact CD2-CG1 3.82Å; L121-V171 HydrophobicContact CD2-CG2 4.42Å; L121-G174 VanDerWaalsContact CD1-C 3.43Å; L121-L175 HydrophobicContact CD2-CB 3.93Å; L121-L175 HydrophobicContact CD2-CD1 3.97Å; L121-Y178 HydrophobicContact CB-CD2 4.31Å; L121-Y178 HydrophobicContact CB-CG 4.37Å; L121-Y178 HydrophobicContact CD1-CD2 4.12Å; L121-Y178 HydrophobicContact CD1-CG 4.03Å |
| 122 | H | 88.5 | Confident | 80.1 | Confident | 97 Ų | 97 | 46.9 Ų | 46.9 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 176.1 | -172.6 | 83.3 | 0 | 0 | 0 | 111.8 | S118 S119 I125 N126 Y178 | S118-H122 VanDerWaalsContact O-CB 3.25Å; S118-H122 WeakPolarHBondContact O-CB 3.32Å; S118-H122 PolarHBondContact O-N 3.15Å; S119-H122 WeakPolarHBondContact O-CB 3.08Å; S119-H122 PolarHBondContact O-N 3.48Å; H122-I125 PolarHBondContact O-N 2.93Å; H122-N126 PolarHBondContact CE1-ND2 2.9Å; H122-N126 WeakPolarHBondContact O-CB 3.48Å; H122-N126 PolarHBondContact O-N 2.89Å; H122-N126 PolarHBondContact O-ND2 3.12Å; H122-Y178 PolarHBondContact ND1-OH 3.37Å |
| 123 | S | 89.2 | Confident | 83 | Confident | 78 Ų | 78 | 45 Ų | 45 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.8 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | S119 R120 L121 N126 K127 | S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.9Å; S119-S123 PolarHBondContact O-OG 2.92Å; S119-S123 VanDerWaalsContact O-OG 3.11Å; R120-S123 PolarHBondContact O-N 3.31Å; L121-S123 PolarHBondContact O-N 3.22Å; S123-N126 CarbonylContact O-C 3.57Å; S123-N126 PolarHBondContact O-N 3.11Å; S123-K127 PolarHBondContact O-N 2.93Å |
| 124 | L | 93.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | 176.6 | -75.2 | 172.5 | 0 | 0 | 0 | 111.6 | R120 L121 N126 K127 M131 F133 F163 V171 | R120-L124 HydrophobicContact CG-CD1 4.23Å; R120-L124 WeakPolarHBondContact O-CB 3.47Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.33Å; R120-L124 PolarHBondContact O-N 3.1Å; L121-L124 PolarHBondContact O-N 2.86Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.12Å; L124-K127 VanDerWaalsContact O-CB 3.3Å; L124-K127 WeakPolarHBondContact O-CB 3.34Å; L124-K127 PolarHBondContact O-N 2.7Å; L124-M131 WeakPolarHBondContact O-CE 3.46Å; L124-M131 WeakPolarHBondContact O-CG 3.17Å; L124-F133 HydrophobicContact CB-CE1 4.18Å; L124-F133 HydrophobicContact CB-CZ 4Å; L124-F163 HydrophobicContact CD1-CD2 4.23Å; L124-F163 HydrophobicContact CD1-CE2 3.85Å; L124-F163 HydrophobicContact CD1-CZ 4.2Å; L124-F163 HydrophobicContact CD2-CD2 3.78Å; L124-F163 HydrophobicContact CD2-CE2 3.83Å; L124-V171 HydrophobicContact CD1-CG1 3.94Å; L124-V171 HydrophobicContact CD1-CG2 3.79Å |
| 125 | I | 94.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 177.3 | -73.1 | 164.2 | 0 | 0 | 0 | 111 | L121 H122 M131 F133 L175 Y178 Y188 G191 | L121-I125 WeakPolarHBondContact O-CB 3.33Å; L121-I125 WeakPolarHBondContact O-CD1 3.45Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.85Å; H122-I125 PolarHBondContact O-N 2.93Å; I125-M131 VanDerWaalsContact O-CG 3.28Å; I125-M131 WeakPolarHBondContact O-CG 3.38Å; I125-F133 HydrophobicContact CG1-CE2 3.86Å; I125-F133 HydrophobicContact CG1-CZ 3.87Å; I125-L175 HydrophobicContact CD1-CD1 3.67Å; I125-L175 HydrophobicContact CG1-CD1 3.88Å; I125-Y178 HydrophobicContact CD1-CD1 3.75Å; I125-Y178 HydrophobicContact CD1-CE1 3.49Å; I125-Y178 VanDerWaalsContact CD1-CE1 3.49Å; I125-Y188 HydrophobicContact CB-CD1 4.37Å; I125-Y188 HydrophobicContact CD1-CD1 4.32Å; I125-Y188 HydrophobicContact CD1-CE1 3.72Å; I125-Y188 HydrophobicContact CG1-CD1 4.1Å; I125-Y188 HydrophobicContact CG1-CE1 3.9Å; I125-Y188 HydrophobicContact CG1-CE2 4.34Å; I125-Y188 HydrophobicContact CG1-CG 4.37Å; I125-Y188 HydrophobicContact CG2-CD1 3.42Å; I125-Y188 VanDerWaalsContact CG2-CD1 3.42Å; I125-Y188 HydrophobicContact CG2-CE1 3.92Å; I125-Y188 HydrophobicContact CG2-CG 3.9Å; I125-G191 WeakPolarHBondContact CG2-O 3.48Å |
| 126 | N | 92.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.5 | -178.2 | -69.6 | -79.4 | 0 | 0 | 0 | 113.9 | H122 S123 L124 A128 G191 | H122-N126 PolarHBondContact CE1-ND2 2.9Å; H122-N126 WeakPolarHBondContact O-CB 3.48Å; H122-N126 PolarHBondContact O-N 2.89Å; H122-N126 PolarHBondContact O-ND2 3.12Å; S123-N126 CarbonylContact O-C 3.57Å; S123-N126 PolarHBondContact O-N 3.11Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.12Å; N126-A128 PolarHBondContact O-N 3.1Å; N126-G191 VanDerWaalsContact OD1-CA 3.3Å; N126-G191 WeakPolarHBondContact OD1-CA 3.49Å |
| 127 | K | 93.2 | Very high | 92.1 | Very high | 128 Ų | 128 | 39.8 Ų | 39.8 | 56% | 0.557 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -61.3 | -34.4 | -178.4 | -171.7 | -172.3 | 177.8 | -145.5 | 0 | 112.1 | S123 L124 M131 E161 | S123-K127 PolarHBondContact O-N 2.93Å; L124-K127 VanDerWaalsContact O-CB 3.3Å; L124-K127 WeakPolarHBondContact O-CB 3.34Å; L124-K127 PolarHBondContact O-N 2.7Å; K127-M131 HydrophobicContact CB-CE 4.49Å; K127-M131 HydrophobicContact CB-SD 4.11Å; K127-E161 VanDerWaalsContact CE-OE2 3.28Å; K127-E161 WeakPolarHBondContact CE-OE2 3.5Å; K127-E161 IonicContact NZ-OE2 2.7Å; K127-E161 PolarHBondContact NZ-OE2 3.27Å |
| 128 | A | 94.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -139 | 157.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N126 V130 M131 E161 | N126-A128 PolarHBondContact O-N 3.1Å; A128-V130 PolarHBondContact O-N 3.38Å; A128-V130 VanDerWaalsContact O-N 3.15Å; A128-M131 HydrophobicContact CB-CG 4.14Å; A128-M131 HydrophobicContact CB-SD 3.9Å; A128-E161 HydrophobicContact CB-CB 3.81Å; A128-E161 HydrophobicContact CB-CG 3.9Å |
| 129 | P | 95.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -59.3 | -25.7 | 177 | -25.8 | 35.2 | 0 | 0 | 0 | 114.1 | V189 K190 V215 | P129-V189 CarbonylContact O-C 3.54Å; P129-V189 WeakPolarHBondContact O-CA 3.38Å; P129-K190 PolarHBondContact O-N 3.05Å; P129-V215 HydrophobicContact CB-CB 3.57Å; P129-V215 HydrophobicContact CB-CG1 3.47Å; P129-V215 VanDerWaalsContact CB-CG1 3.47Å; P129-V215 HydrophobicContact CB-CG2 3.9Å; P129-V215 HydrophobicContact CG-CB 4.27Å; P129-V215 HydrophobicContact CG-CG2 4.43Å |
| 130 | V | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113.1 | 172.4 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | A128 F160 E161 L187 Y188 V189 L213 V215 | A128-V130 PolarHBondContact O-N 3.38Å; A128-V130 VanDerWaalsContact O-N 3.15Å; V130-F160 HydrophobicContact CB-CB 3.83Å; V130-F160 HydrophobicContact CG1-CB 3.61Å; V130-F160 WeakPolarHBondContact O-CA 3.22Å; V130-E161 PolarHBondContact O-N 2.9Å; V130-L187 HydrophobicContact CG1-CD1 3.72Å; V130-Y188 WeakPolarHBondContact CA-O 3.41Å; V130-V189 HydrophobicContact CG1-CG2 4.36Å; V130-V189 HydrophobicContact CG2-CG2 4.45Å; V130-L213 HydrophobicContact CB-CD2 4.5Å; V130-L213 HydrophobicContact CG1-CD2 3.81Å; V130-L213 HydrophobicContact CG2-CD2 3.81Å; V130-V215 HydrophobicContact CG2-CG1 4.06Å |
| 131 | M | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.9 | -178.5 | -84.1 | -60.2 | -64.8 | 0 | 0 | 110.6 | L124 I125 K127 A128 F133 E161 F163 Y188 | L124-M131 WeakPolarHBondContact O-CE 3.46Å; L124-M131 WeakPolarHBondContact O-CG 3.17Å; I125-M131 VanDerWaalsContact O-CG 3.28Å; I125-M131 WeakPolarHBondContact O-CG 3.38Å; K127-M131 HydrophobicContact CB-CE 4.49Å; K127-M131 HydrophobicContact CB-SD 4.11Å; A128-M131 HydrophobicContact CB-CG 4.14Å; A128-M131 HydrophobicContact CB-SD 3.9Å; M131-F133 HydrophobicContact CB-CE2 4.26Å; M131-F133 HydrophobicContact CE-CZ 4.45Å; M131-E161 HydrophobicContact SD-CB 3.44Å; M131-E161 WeakPolarHBondContact SD-CB 3.34Å; M131-F163 HydrophobicContact CE-CB 4.28Å; M131-Y188 PolarHBondContact N-O 2.64Å; M131-Y188 PolarHBondContact O-N 2.74Å |
| 132 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.5 | 177.5 | 170.6 | 65.1 | 0 | 0 | 0 | 110.9 | M134 I149 V150 L153 F160 E161 T162 F163 P185 L187 | L132-M134 HydrophobicContact CD1-CB 4.45Å; L132-M134 HydrophobicContact CD2-CB 4.36Å; L132-M134 HydrophobicContact CD2-CG 4.43Å; L132-M134 HydrophobicContact CD2-SD 3.74Å; L132-M134 HydrophobicContact CG-CB 4.08Å; L132-M134 HydrophobicContact CG-CG 4.3Å; L132-M134 HydrophobicContact CG-SD 4.23Å; L132-I149 HydrophobicContact CD1-CD1 3.9Å; L132-I149 HydrophobicContact CD1-CG1 4.38Å; L132-I149 HydrophobicContact CD1-CG2 3.77Å; L132-I149 HydrophobicContact CD2-CG2 3.84Å; L132-I149 HydrophobicContact CG-CG2 4.46Å; L132-V150 HydrophobicContact CD2-CG2 3.67Å; L132-L153 HydrophobicContact CB-CD1 4.49Å; L132-L153 HydrophobicContact CD2-CD1 4Å; L132-F160 HydrophobicContact CB-CD2 4.36Å; L132-F160 HydrophobicContact CD2-CD2 4.47Å; L132-F160 HydrophobicContact CD2-CE2 4.21Å; L132-E161 PolarHBondContact N-O 3.16Å; L132-T162 HydrophobicContact CB-CG2 4.07Å; L132-T162 HydrophobicContact CD2-CG2 4.15Å; L132-T162 HydrophobicContact CG-CG2 4.35Å; L132-T162 CarbonylContact O-C 3.55Å; L132-T162 WeakPolarHBondContact O-CA 3.49Å; L132-F163 PolarHBondContact O-N 3.01Å; L132-P185 HydrophobicContact CD1-CB 3.83Å; L132-L187 HydrophobicContact CB-CD1 4.41Å |
| 133 | F | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 113.2 | 171.2 | -65 | -96.6 | 0 | 0 | 0 | 108.9 | L124 I125 M131 F163 I165 V171 L175 Y184 P185 Q186 Y188 | L124-F133 HydrophobicContact CB-CE1 4.18Å; L124-F133 HydrophobicContact CB-CZ 4Å; I125-F133 HydrophobicContact CG1-CE2 3.86Å; I125-F133 HydrophobicContact CG1-CZ 3.87Å; M131-F133 HydrophobicContact CB-CE2 4.26Å; M131-F133 HydrophobicContact CE-CZ 4.45Å; F133-F163 HydrophobicContact CD1-CB 3.7Å; F133-F163 AromaticContact CD1-CD1 3.85Å; F133-F163 HydrophobicContact CD1-CD1 3.85Å; F133-F163 HydrophobicContact CD1-CG 4Å; F133-F163 HydrophobicContact CE1-CB 3.87Å; F133-F163 HydrophobicContact CE1-CD1 4.14Å; F133-F163 HydrophobicContact CE1-CG 4.01Å; F133-F163 HydrophobicContact CG-CB 4.45Å; F133-I165 HydrophobicContact CB-CG2 3.95Å; F133-I165 HydrophobicContact CD1-CG2 4.19Å; F133-V171 HydrophobicContact CE1-CG1 4.42Å; F133-L175 HydrophobicContact CB-CD2 3.83Å; F133-L175 HydrophobicContact CD1-CD2 3.53Å; F133-L175 HydrophobicContact CD2-CD2 3.74Å; F133-L175 HydrophobicContact CE1-CD1 4.46Å; F133-L175 HydrophobicContact CE1-CD2 3.96Å; F133-L175 HydrophobicContact CE2-CD1 4.48Å; F133-L175 HydrophobicContact CE2-CD2 4.16Å; F133-L175 HydrophobicContact CG-CD2 3.41Å; F133-L175 VanDerWaalsContact CG-CD2 3.41Å; F133-L175 HydrophobicContact CZ-CD1 4.28Å; F133-L175 HydrophobicContact CZ-CD2 4.25Å; F133-Y184 HydrophobicContact CB-CD1 4.18Å; F133-Y184 HydrophobicContact CB-CE1 3.91Å; F133-P185 CarbonylContact O-C 3.15Å; F133-P185 WeakPolarHBondContact O-CA 3.42Å; F133-P185 WeakPolarHBondContact O-CB 3.32Å; F133-Q186 HydrophobicContact CB-CB 4.44Å; F133-Q186 PolarHBondContact N-O 3.47Å; F133-Q186 PolarHBondContact O-N 2.96Å; F133-Y188 AromaticContact CD2-CD2 3.69Å; F133-Y188 HydrophobicContact CD2-CD2 3.69Å; F133-Y188 AromaticContact CD2-CE2 3.77Å; F133-Y188 HydrophobicContact CD2-CE2 3.77Å; F133-Y188 AromaticContact CE2-CD2 3.72Å; F133-Y188 HydrophobicContact CE2-CD2 3.72Å; F133-Y188 AromaticContact CE2-CE2 3.89Å; F133-Y188 HydrophobicContact CE2-CE2 3.89Å |
| 134 | M | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 169.7 | -170.3 | 64.8 | 179.4 | -65.3 | 0 | 0 | 112.2 | L132 G136 S137 P138 P141 V150 T162 F163 D164 I165 P185 | L132-M134 HydrophobicContact CD1-CB 4.45Å; L132-M134 HydrophobicContact CD2-CB 4.36Å; L132-M134 HydrophobicContact CD2-CG 4.43Å; L132-M134 HydrophobicContact CD2-SD 3.74Å; L132-M134 HydrophobicContact CG-CB 4.08Å; L132-M134 HydrophobicContact CG-CG 4.3Å; L132-M134 HydrophobicContact CG-SD 4.23Å; M134-G136 WeakPolarHBondContact CG-O 3.3Å; M134-S137 VanDerWaalsContact CE-O 3.28Å; M134-S137 WeakPolarHBondContact CE-O 3.25Å; M134-P138 HydrophobicContact SD-CG 4.24Å; M134-P141 HydrophobicContact CE-CB 4.02Å; M134-V150 HydrophobicContact CE-CG2 3.63Å; M134-V150 HydrophobicContact SD-CG2 3.83Å; M134-T162 HydrophobicContact SD-CG2 3.79Å; M134-F163 PolarHBondContact N-O 2.83Å; M134-D164 WeakPolarHBondContact O-CA 3.45Å; M134-I165 VanDerWaalsContact O-CG1 3.26Å; M134-I165 WeakPolarHBondContact O-CG1 3.17Å; M134-I165 PolarHBondContact O-N 3.35Å; M134-P185 HydrophobicContact CB-CB 4.38Å |
| 135 | K | 97.3 | Very high | 96 | Very high | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -92.9 | 112.9 | 172.6 | -70.1 | 172.4 | -179.7 | 176.3 | 0 | 109.1 | R142 C143 S146 I165 L166 | K135-R142 HydrophobicContact CB-CB 4.43Å; K135-R142 PolarHBondContact O-N 2.9Å; K135-C143 HydrophobicContact CB-CB 3.86Å; K135-C143 HydrophobicContact CD-CB 3.7Å; K135-C143 HydrophobicContact CG-CB 4.37Å; K135-S146 PolarHBondContact N-OG 3.14Å; K135-S146 VanDerWaalsContact N-OG 3.14Å; K135-I165 HydrophobicContact CG-CD1 3.77Å; K135-I165 HydrophobicContact CG-CG1 4.11Å; K135-L166 HydrophobicContact CB-CD1 3.93Å; K135-L166 HydrophobicContact CB-CG 4.18Å; K135-L166 HydrophobicContact CG-CD1 4.33Å; K135-L166 HydrophobicContact CG-CD2 4.16Å; K135-L166 HydrophobicContact CG-CG 4.14Å |
| 136 | G | 96.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | 85.5 | -155.2 | -171 | 0 | 0 | 0 | 0 | 0 | 112.6 | M134 D164 | M134-G136 WeakPolarHBondContact CG-O 3.3Å; G136-D164 PolarHBondContact N-OD1 3.1Å; G136-D164 WeakPolarHBondContact O-CB 3.26Å |
| 137 | S | 96.8 | Very high | 96.4 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | trans | -118 | 170.3 | 178.5 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | M134 E139 E140 P141 | M134-S137 VanDerWaalsContact CE-O 3.28Å; M134-S137 WeakPolarHBondContact CE-O 3.25Å; S137-E139 PolarHBondContact O-N 3.24Å; S137-E139 PolarHBondContact OG-N 2.97Å; S137-E139 PolarHBondContact OG-OE2 3.21Å; S137-E140 PolarHBondContact N-O 3.48Å; S137-E140 CarbonylContact O-C 3.53Å; S137-E140 PolarHBondContact O-N 3.26Å; S137-E140 PolarHBondContact OG-N 3.36Å; S137-P141 WeakPolarHBondContact O-CA 3.45Å; S137-P141 WeakPolarHBondContact O-CD 3.37Å | ||
| 138 | P | 96.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -58.5 | -28.1 | 173.5 | -27 | 36.7 | 0 | 0 | 0 | 114.5 | M134 V150 R154 F160 T162 | M134-P138 HydrophobicContact SD-CG 4.24Å; P138-V150 HydrophobicContact CB-CG1 4.08Å; P138-V150 HydrophobicContact CB-CG2 4.4Å; P138-R154 PolarHBondContact O-NH1 3.4Å; P138-R154 PolarHBondContact O-NH2 2.95Å; P138-F160 HydrophobicContact CG-CE2 3.96Å; P138-F160 HydrophobicContact CG-CZ 4.5Å; P138-T162 WeakPolarHBondContact CD-OG1 3.48Å; P138-T162 HydrophobicContact CG-CG2 3.37Å |
| 139 | E | 96.1 | Very high | 96.8 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -84 | -37.2 | 177 | -61 | 65.5 | -136.8 | 0 | 0 | 110.9 | S137 P141 R154 | S137-E139 PolarHBondContact O-N 3.24Å; S137-E139 PolarHBondContact OG-N 2.97Å; S137-E139 PolarHBondContact OG-OE2 3.21Å; E139-P141 VanDerWaalsContact C-CD 3.48Å; E139-P141 WeakPolarHBondContact O-CD 3.23Å; E139-R154 IonicContact OE1-NH2 3.64Å |
| 140 | E | 96.3 | Very high | 96.9 | Very high | 133 Ų | 133 | 45.9 Ų | 45.9 | 62% | 0.621 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -126.6 | 67.8 | -177.8 | -62.5 | -173.8 | 179 | 0 | 0 | 112.2 | S137 R142 | S137-E140 PolarHBondContact N-O 3.48Å; S137-E140 CarbonylContact O-C 3.53Å; S137-E140 PolarHBondContact O-N 3.26Å; S137-E140 PolarHBondContact OG-N 3.36Å; E140-R142 PolarHBondContact O-N 3.41Å |
| 141 | P | 95.7 | Very high | 96.9 | Very high | 21 Ų | 21 | 49 Ų | 49 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 125 | -179.5 | 27.3 | -33.8 | 0 | 0 | 0 | 110.7 | M134 S137 E139 R147 | M134-P141 HydrophobicContact CE-CB 4.02Å; S137-P141 WeakPolarHBondContact O-CA 3.45Å; S137-P141 WeakPolarHBondContact O-CD 3.37Å; E139-P141 VanDerWaalsContact C-CD 3.48Å; E139-P141 WeakPolarHBondContact O-CD 3.23Å; P141-R147 HydrophobicContact CB-CB 3.99Å; P141-R147 HydrophobicContact CG-CB 3.88Å; P141-R147 HydrophobicContact CG-CG 3.95Å; P141-R147 PolarHBondContact O-NH2 3.38Å |
| 142 | R | 95.2 | Very high | 96.8 | Very high | 157 Ų | 157 | 50 Ų | 50 | 59% | 0.592 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -93.3 | 8.6 | -177.5 | -64.5 | -178.4 | 177.4 | -169.3 | 0.9 | 113.7 | K135 E140 L166 | K135-R142 HydrophobicContact CB-CB 4.43Å; K135-R142 PolarHBondContact O-N 2.9Å; E140-R142 PolarHBondContact O-N 3.41Å; R142-L166 HydrophobicContact CB-CD1 4.06Å; R142-L166 HydrophobicContact CG-CD1 4.48Å |
| 143 | C | 95 | Very high | 96.8 | Very high | 25 Ų | 25 | 50 Ų | 50 | 17% | 0.169 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -148.7 | 142.1 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 111 | K135 F145 S146 R147 | K135-C143 HydrophobicContact CB-CB 3.86Å; K135-C143 HydrophobicContact CD-CB 3.7Å; K135-C143 HydrophobicContact CG-CB 4.37Å; C143-F145 VanDerWaalsContact C-N 3.34Å; C143-F145 PolarHBondContact O-N 2.94Å; C143-S146 WeakPolarHBondContact O-CB 3.31Å; C143-S146 PolarHBondContact O-N 2.9Å; C143-S146 VanDerWaalsContact O-N 3.17Å; C143-R147 PolarHBondContact O-N 2.68Å |
| 144 | G | 95.7 | Very high | 96.7 | Very high | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R147 Q148 | G144-R147 WeakPolarHBondContact O-CB 3.49Å; G144-R147 PolarHBondContact O-N 2.82Å; G144-Q148 WeakPolarHBondContact O-CG 3.12Å; G144-Q148 PolarHBondContact O-N 2.79Å |
| 145 | F | 96.9 | Very high | 96.6 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176.6 | -62.3 | -60.8 | 0 | 0 | 0 | 112.7 | C143 R147 Q148 I149 P185 V197 | C143-F145 VanDerWaalsContact C-N 3.34Å; C143-F145 PolarHBondContact O-N 2.94Å; F145-R147 VanDerWaalsContact C-N 3.33Å; F145-R147 PolarHBondContact O-N 3.3Å; F145-Q148 PolarHBondContact O-N 2.96Å; F145-I149 PolarHBondContact O-N 2.92Å; F145-I149 VanDerWaalsContact O-N 3.1Å; F145-P185 HydrophobicContact CB-CG 4.37Å; F145-V197 HydrophobicContact CB-CG1 4.07Å; F145-V197 HydrophobicContact CD1-CG1 3.61Å; F145-V197 HydrophobicContact CE1-CG1 4.4Å; F145-V197 HydrophobicContact CG-CG1 4.18Å |
| 146 | S | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 173.9 | -63.2 | 0 | 0 | 0 | 0 | 112 | K135 C143 I149 V150 | K135-S146 PolarHBondContact N-OG 3.14Å; K135-S146 VanDerWaalsContact N-OG 3.14Å; C143-S146 WeakPolarHBondContact O-CB 3.31Å; C143-S146 PolarHBondContact O-N 2.9Å; C143-S146 VanDerWaalsContact O-N 3.17Å; S146-I149 WeakPolarHBondContact O-CG2 3.41Å; S146-V150 VanDerWaalsContact O-CG2 3.26Å; S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 3.41Å |
| 147 | R | 97.7 | Very high | 96.3 | Very high | 144 Ų | 144 | 67 Ų | 67 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 174.1 | -171.9 | 177.2 | -61.1 | 121.6 | 6.8 | 112.2 | P141 C143 G144 F145 V150 S151 | P141-R147 HydrophobicContact CB-CB 3.99Å; P141-R147 HydrophobicContact CG-CB 3.88Å; P141-R147 HydrophobicContact CG-CG 3.95Å; P141-R147 PolarHBondContact O-NH2 3.38Å; C143-R147 PolarHBondContact O-N 2.68Å; G144-R147 WeakPolarHBondContact O-CB 3.49Å; G144-R147 PolarHBondContact O-N 2.82Å; F145-R147 VanDerWaalsContact C-N 3.33Å; F145-R147 PolarHBondContact O-N 3.3Å; R147-V150 PolarHBondContact O-N 2.82Å; R147-S151 PolarHBondContact O-N 2.72Å |
| 148 | Q | 97.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | -178.7 | -74.3 | 178.7 | 32 | 0 | 0 | 112.3 | G144 F145 V150 S151 I152 V197 | G144-Q148 WeakPolarHBondContact O-CG 3.12Å; G144-Q148 PolarHBondContact O-N 2.79Å; F145-Q148 PolarHBondContact O-N 2.96Å; Q148-V150 VanDerWaalsContact C-N 3.32Å; Q148-V150 PolarHBondContact O-N 3.28Å; Q148-S151 VanDerWaalsContact O-CB 3.3Å; Q148-S151 WeakPolarHBondContact O-CB 3.18Å; Q148-S151 PolarHBondContact O-N 3.42Å; Q148-S151 VanDerWaalsContact O-N 3.09Å; Q148-I152 WeakPolarHBondContact O-CG1 3.44Å; Q148-I152 PolarHBondContact O-N 3.12Å; Q148-V197 HydrophobicContact CB-CG2 3.78Å |
| 149 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | -179.7 | -162.2 | 166.8 | 0 | 0 | 0 | 112.1 | L132 F145 S146 S151 I152 L153 P185 L187 V197 V200 | L132-I149 HydrophobicContact CD1-CD1 3.9Å; L132-I149 HydrophobicContact CD1-CG1 4.38Å; L132-I149 HydrophobicContact CD1-CG2 3.77Å; L132-I149 HydrophobicContact CD2-CG2 3.84Å; L132-I149 HydrophobicContact CG-CG2 4.46Å; F145-I149 PolarHBondContact O-N 2.92Å; F145-I149 VanDerWaalsContact O-N 3.1Å; S146-I149 WeakPolarHBondContact O-CG2 3.41Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 2.95Å; I149-I152 PolarHBondContact O-N 3.44Å; I149-L153 WeakPolarHBondContact O-CG 3.4Å; I149-L153 PolarHBondContact O-N 2.94Å; I149-P185 HydrophobicContact CB-CG 4.05Å; I149-P185 HydrophobicContact CD1-CB 4.29Å; I149-P185 HydrophobicContact CD1-CG 4.03Å; I149-P185 HydrophobicContact CG2-CB 3.81Å; I149-P185 HydrophobicContact CG2-CG 3.55Å; I149-L187 HydrophobicContact CD1-CB 4.04Å; I149-V197 HydrophobicContact CB-CB 4.32Å; I149-V197 HydrophobicContact CB-CG2 4.1Å; I149-V200 HydrophobicContact CD1-CB 4.22Å; I149-V200 HydrophobicContact CD1-CG1 4.31Å; I149-V200 HydrophobicContact CD1-CG2 4.01Å; I149-V200 HydrophobicContact CG1-CB 4.37Å; I149-V200 HydrophobicContact CG1-CG1 4.01Å |
| 150 | V | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 172.9 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | L132 M134 P138 S146 R147 Q148 L153 R154 F160 | L132-V150 HydrophobicContact CD2-CG2 3.67Å; M134-V150 HydrophobicContact CE-CG2 3.63Å; M134-V150 HydrophobicContact SD-CG2 3.83Å; P138-V150 HydrophobicContact CB-CG1 4.08Å; P138-V150 HydrophobicContact CB-CG2 4.4Å; S146-V150 VanDerWaalsContact O-CG2 3.26Å; S146-V150 WeakPolarHBondContact O-CG2 3.4Å; S146-V150 PolarHBondContact O-N 3.41Å; R147-V150 PolarHBondContact O-N 2.82Å; Q148-V150 VanDerWaalsContact C-N 3.32Å; Q148-V150 PolarHBondContact O-N 3.28Å; V150-L153 PolarHBondContact O-N 3.15Å; V150-R154 HydrophobicContact CG1-CG 4.47Å; V150-R154 WeakPolarHBondContact O-CB 3.26Å; V150-R154 WeakPolarHBondContact O-CG 3.41Å; V150-R154 PolarHBondContact O-N 3.22Å; V150-F160 HydrophobicContact CG1-CZ 4.34Å |
| 151 | S | 97.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | R147 Q148 I149 L153 R154 S155 | R147-S151 PolarHBondContact O-N 2.72Å; Q148-S151 VanDerWaalsContact O-CB 3.3Å; Q148-S151 WeakPolarHBondContact O-CB 3.18Å; Q148-S151 PolarHBondContact O-N 3.42Å; Q148-S151 VanDerWaalsContact O-N 3.09Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 2.95Å; S151-L153 PolarHBondContact O-N 3.39Å; S151-R154 PolarHBondContact O-N 3.03Å; S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 3.32Å; S151-S155 VanDerWaalsContact O-OG 3.11Å |
| 152 | I | 97.2 | Very high | 96.2 | Very high | 24 Ų | 24 | 68.2 Ų | 68.2 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 179.2 | -64.9 | 165 | 0 | 0 | 0 | 110.6 | Q148 I149 R154 S155 N156 V197 V200 R201 A204 L209 | Q148-I152 WeakPolarHBondContact O-CG1 3.44Å; Q148-I152 PolarHBondContact O-N 3.12Å; I149-I152 PolarHBondContact O-N 3.44Å; I152-R154 PolarHBondContact O-N 2.93Å; I152-S155 PolarHBondContact O-N 2.92Å; I152-N156 PolarHBondContact O-N 3.1Å; I152-N156 VanDerWaalsContact O-N 3.11Å; I152-N156 PolarHBondContact O-ND2 2.92Å; I152-V197 HydrophobicContact CD1-CG2 4.37Å; I152-V200 HydrophobicContact CG2-CG1 3.98Å; I152-R201 HydrophobicContact CD1-CB 3.92Å; I152-R201 HydrophobicContact CD1-CG 4.25Å; I152-A204 HydrophobicContact CG2-CB 3.68Å; I152-L209 HydrophobicContact CG2-CD2 3.58Å |
| 153 | L | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 178.4 | -69.2 | 174.6 | 0 | 0 | 0 | 112 | L132 I149 V150 S151 N156 N157 A158 F160 L187 L213 | L132-L153 HydrophobicContact CB-CD1 4.49Å; L132-L153 HydrophobicContact CD2-CD1 4Å; I149-L153 WeakPolarHBondContact O-CG 3.4Å; I149-L153 PolarHBondContact O-N 2.94Å; V150-L153 PolarHBondContact O-N 3.15Å; S151-L153 PolarHBondContact O-N 3.39Å; L153-N156 CarbonylContact O-C 3.57Å; L153-N156 PolarHBondContact O-N 3.34Å; L153-N157 PolarHBondContact O-N 2.95Å; L153-A158 HydrophobicContact CB-CB 4.1Å; L153-A158 HydrophobicContact CD2-CB 4.16Å; L153-A158 VanDerWaalsContact O-CB 3.25Å; L153-A158 WeakPolarHBondContact O-CB 3.49Å; L153-A158 PolarHBondContact O-N 2.67Å; L153-F160 HydrophobicContact CB-CD1 3.94Å; L153-F160 HydrophobicContact CB-CE1 3.74Å; L153-F160 HydrophobicContact CB-CZ 4.32Å; L153-F160 HydrophobicContact CD1-CD1 4.06Å; L153-F160 HydrophobicContact CD1-CD2 4.08Å; L153-F160 HydrophobicContact CD1-CE1 4.25Å; L153-F160 HydrophobicContact CD1-CE2 4.25Å; L153-F160 HydrophobicContact CD1-CG 3.99Å; L153-F160 HydrophobicContact CD1-CZ 4.34Å; L153-L187 HydrophobicContact CD1-CD1 4.03Å; L153-L187 HydrophobicContact CD2-CD1 4.17Å; L153-L187 HydrophobicContact CD2-CD2 3.99Å; L153-L213 HydrophobicContact CD2-CD1 3.93Å; L153-L213 HydrophobicContact CD2-CD2 4.08Å |
| 154 | R | 95.8 | Very high | 96.4 | Very high | 125 Ų | 125 | 62.9 Ų | 62.9 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.8 | -76 | 179.4 | 174.2 | 158.7 | 0.7 | 112.1 | P138 E139 V150 S151 I152 N156 N157 F160 | P138-R154 PolarHBondContact O-NH1 3.4Å; P138-R154 PolarHBondContact O-NH2 2.95Å; E139-R154 IonicContact OE1-NH2 3.64Å; V150-R154 HydrophobicContact CG1-CG 4.47Å; V150-R154 WeakPolarHBondContact O-CB 3.26Å; V150-R154 WeakPolarHBondContact O-CG 3.41Å; V150-R154 PolarHBondContact O-N 3.22Å; S151-R154 PolarHBondContact O-N 3.03Å; I152-R154 PolarHBondContact O-N 2.93Å; R154-N156 PolarHBondContact O-N 3.44Å; R154-N157 PolarHBondContact O-N 3.19Å; R154-F160 HydrophobicContact CG-CE1 4.33Å |
| 155 | S | 95.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 61 Ų | 61 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -25.6 | 175.7 | -67 | 0 | 0 | 0 | 0 | 113.1 | S151 I152 N157 | S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 3.32Å; S151-S155 VanDerWaalsContact O-OG 3.11Å; I152-S155 PolarHBondContact O-N 2.92Å; S155-N157 VanDerWaalsContact C-N 3.34Å |
| 156 | N | 94.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.2 | 173.6 | -76.6 | -86.9 | 0 | 0 | 0 | 113.4 | I152 L153 R154 A158 L213 | I152-N156 PolarHBondContact O-N 3.1Å; I152-N156 VanDerWaalsContact O-N 3.11Å; I152-N156 PolarHBondContact O-ND2 2.92Å; L153-N156 CarbonylContact O-C 3.57Å; L153-N156 PolarHBondContact O-N 3.34Å; R154-N156 PolarHBondContact O-N 3.44Å; N156-A158 PolarHBondContact O-N 2.81Å; N156-A158 VanDerWaalsContact O-N 3.14Å; N156-L213 HydrophobicContact CB-CD1 4.07Å |
| 157 | N | 92.9 | Very high | 95.9 | Very high | 149 Ų | 149 | 65.7 Ų | 65.7 | 80% | 0.797 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 30.8 | -177 | -62.6 | -52 | 0 | 0 | 0 | 114 | L153 R154 S155 | L153-N157 PolarHBondContact O-N 2.95Å; R154-N157 PolarHBondContact O-N 3.19Å; S155-N157 VanDerWaalsContact C-N 3.34Å |
| 158 | A | 93.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | trans | -70.2 | 135 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L153 N156 F160 L213 | L153-A158 HydrophobicContact CB-CB 4.1Å; L153-A158 HydrophobicContact CD2-CB 4.16Å; L153-A158 VanDerWaalsContact O-CB 3.25Å; L153-A158 WeakPolarHBondContact O-CB 3.49Å; L153-A158 PolarHBondContact O-N 2.67Å; N156-A158 PolarHBondContact O-N 2.81Å; N156-A158 VanDerWaalsContact O-N 3.14Å; A158-F160 HydrophobicContact CB-CD1 4.21Å; A158-F160 WeakPolarHBondContact O-CD1 3.49Å; A158-L213 HydrophobicContact CB-CD1 3.81Å; A158-L213 HydrophobicContact CB-CD2 4.36Å; A158-L213 HydrophobicContact CB-CG 4.48Å | ||
| 159 | K | 94.1 | Very high | 94.8 | Very high | 186 Ų | 186 | 60.7 Ų | 60.7 | 81% | 0.809 | 31% | 0.308 | S | S | * | . | trans | -88.9 | 120 | 162.4 | -67.1 | -178.6 | -178.4 | 176 | 0 | 108 | ||||
| 160 | F | 96.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 21% | 0.211 | 33% | 0.333 | C | S | . | . | trans | -143.6 | 152.7 | -177.6 | 63.7 | -84.8 | 0 | 0 | 0 | 111.3 | V130 L132 P138 V150 L153 R154 A158 T162 | V130-F160 HydrophobicContact CB-CB 3.83Å; V130-F160 HydrophobicContact CG1-CB 3.61Å; V130-F160 WeakPolarHBondContact O-CA 3.22Å; L132-F160 HydrophobicContact CB-CD2 4.36Å; L132-F160 HydrophobicContact CD2-CD2 4.47Å; L132-F160 HydrophobicContact CD2-CE2 4.21Å; P138-F160 HydrophobicContact CG-CE2 3.96Å; P138-F160 HydrophobicContact CG-CZ 4.5Å; V150-F160 HydrophobicContact CG1-CZ 4.34Å; L153-F160 HydrophobicContact CB-CD1 3.94Å; L153-F160 HydrophobicContact CB-CE1 3.74Å; L153-F160 HydrophobicContact CB-CZ 4.32Å; L153-F160 HydrophobicContact CD1-CD1 4.06Å; L153-F160 HydrophobicContact CD1-CD2 4.08Å; L153-F160 HydrophobicContact CD1-CE1 4.25Å; L153-F160 HydrophobicContact CD1-CE2 4.25Å; L153-F160 HydrophobicContact CD1-CG 3.99Å; L153-F160 HydrophobicContact CD1-CZ 4.34Å; R154-F160 HydrophobicContact CG-CE1 4.33Å; A158-F160 HydrophobicContact CB-CD1 4.21Å; A158-F160 WeakPolarHBondContact O-CD1 3.49Å; F160-T162 HydrophobicContact CD2-CG2 3.69Å; F160-T162 HydrophobicContact CE2-CG2 3.62Å | ||
| 161 | E | 97.3 | Very high | 93.7 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 162.1 | 166.5 | -79.6 | -163.3 | -139.9 | 0 | 0 | 110.5 | K127 A128 V130 M131 L132 | K127-E161 VanDerWaalsContact CE-OE2 3.28Å; K127-E161 WeakPolarHBondContact CE-OE2 3.5Å; K127-E161 IonicContact NZ-OE2 2.7Å; K127-E161 PolarHBondContact NZ-OE2 3.27Å; A128-E161 HydrophobicContact CB-CB 3.81Å; A128-E161 HydrophobicContact CB-CG 3.9Å; V130-E161 PolarHBondContact O-N 2.9Å; M131-E161 HydrophobicContact SD-CB 3.44Å; M131-E161 WeakPolarHBondContact SD-CB 3.34Å; L132-E161 PolarHBondContact N-O 3.16Å |
| 162 | T | 97.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 155.8 | -179.1 | 66 | 0 | 0 | 0 | 0 | 112.7 | L132 M134 P138 F160 | L132-T162 HydrophobicContact CB-CG2 4.07Å; L132-T162 HydrophobicContact CD2-CG2 4.15Å; L132-T162 HydrophobicContact CG-CG2 4.35Å; L132-T162 CarbonylContact O-C 3.55Å; L132-T162 WeakPolarHBondContact O-CA 3.49Å; M134-T162 HydrophobicContact SD-CG2 3.79Å; P138-T162 WeakPolarHBondContact CD-OG1 3.48Å; P138-T162 HydrophobicContact CG-CG2 3.37Å; F160-T162 HydrophobicContact CD2-CG2 3.69Å; F160-T162 HydrophobicContact CE2-CG2 3.62Å |
| 163 | F | 97.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.7 | 170.3 | -174.1 | -84.6 | 0 | 0 | 0 | 109.4 | L124 M131 L132 F133 M134 I165 D168 V171 | L124-F163 HydrophobicContact CD1-CD2 4.23Å; L124-F163 HydrophobicContact CD1-CE2 3.85Å; L124-F163 HydrophobicContact CD1-CZ 4.2Å; L124-F163 HydrophobicContact CD2-CD2 3.78Å; L124-F163 HydrophobicContact CD2-CE2 3.83Å; M131-F163 HydrophobicContact CE-CB 4.28Å; L132-F163 PolarHBondContact O-N 3.01Å; F133-F163 HydrophobicContact CD1-CB 3.7Å; F133-F163 AromaticContact CD1-CD1 3.85Å; F133-F163 HydrophobicContact CD1-CD1 3.85Å; F133-F163 HydrophobicContact CD1-CG 4Å; F133-F163 HydrophobicContact CE1-CB 3.87Å; F133-F163 HydrophobicContact CE1-CD1 4.14Å; F133-F163 HydrophobicContact CE1-CG 4.01Å; F133-F163 HydrophobicContact CG-CB 4.45Å; M134-F163 PolarHBondContact N-O 2.83Å; F163-I165 HydrophobicContact CD1-CG2 4.02Å; F163-I165 HydrophobicContact CE1-CG2 4.48Å; F163-I165 PolarHBondContact O-N 3.39Å; F163-D168 HydrophobicContact CE1-CB 4.17Å; F163-D168 HydrophobicContact CZ-CB 3.89Å; F163-V171 HydrophobicContact CD1-CG1 4.11Å; F163-V171 HydrophobicContact CE1-CB 3.99Å; F163-V171 HydrophobicContact CE1-CG1 3.51Å; F163-V171 HydrophobicContact CZ-CB 4.1Å; F163-V171 HydrophobicContact CZ-CG1 3.88Å; F163-V171 HydrophobicContact CZ-CG2 4.11Å |
| 164 | D | 97.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 101.9 | 175.4 | -176.2 | 10 | 0 | 0 | 0 | 110.3 | M134 G136 L166 Q167 | M134-D164 WeakPolarHBondContact O-CA 3.45Å; G136-D164 PolarHBondContact N-OD1 3.1Å; G136-D164 WeakPolarHBondContact O-CB 3.26Å; D164-L166 PolarHBondContact O-N 3.22Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 VanDerWaalsContact OD1-CB 3.29Å; D164-L166 WeakPolarHBondContact OD1-CB 3.25Å; D164-L166 PolarHBondContact OD1-N 2.93Å; D164-Q167 HydrophobicContact CB-CG 3.93Å; D164-Q167 PolarHBondContact O-N 2.99Å; D164-Q167 VanDerWaalsContact O-N 3.09Å; D164-Q167 WeakPolarHBondContact OD2-CG 3.49Å; D164-Q167 PolarHBondContact OD2-NE2 3.34Å |
| 165 | I | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.7 | 179.4 | 62.1 | 100.5 | 0 | 0 | 0 | 113.4 | F133 M134 K135 F163 Q167 R172 Y184 | F133-I165 HydrophobicContact CB-CG2 3.95Å; F133-I165 HydrophobicContact CD1-CG2 4.19Å; M134-I165 VanDerWaalsContact O-CG1 3.26Å; M134-I165 WeakPolarHBondContact O-CG1 3.17Å; M134-I165 PolarHBondContact O-N 3.35Å; K135-I165 HydrophobicContact CG-CD1 3.77Å; K135-I165 HydrophobicContact CG-CG1 4.11Å; F163-I165 HydrophobicContact CD1-CG2 4.02Å; F163-I165 HydrophobicContact CE1-CG2 4.48Å; F163-I165 PolarHBondContact O-N 3.39Å; I165-Q167 VanDerWaalsContact C-N 3.3Å; I165-R172 HydrophobicContact CB-CB 4.17Å; I165-R172 HydrophobicContact CB-CG 4.23Å; I165-R172 HydrophobicContact CD1-CG 3.8Å; I165-Y184 HydrophobicContact CB-CE1 4.4Å; I165-Y184 HydrophobicContact CD1-CD2 3.97Å; I165-Y184 HydrophobicContact CD1-CE2 4.2Å; I165-Y184 HydrophobicContact CD1-CG 4.22Å; I165-Y184 HydrophobicContact CG1-CD1 4.26Å; I165-Y184 HydrophobicContact CG1-CD2 4.41Å; I165-Y184 HydrophobicContact CG1-CE1 4.41Å; I165-Y184 HydrophobicContact CG1-CG 4.25Å; I165-Y184 HydrophobicContact CG2-CD1 4.14Å; I165-Y184 HydrophobicContact CG2-CE1 3.64Å |
| 166 | L | 93.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 60.7 Ų | 60.7 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.1 | 174.1 | -61.3 | 174.9 | 0 | 0 | 0 | 112.8 | K135 R142 D164 | K135-L166 HydrophobicContact CB-CD1 3.93Å; K135-L166 HydrophobicContact CB-CG 4.18Å; K135-L166 HydrophobicContact CG-CD1 4.33Å; K135-L166 HydrophobicContact CG-CD2 4.16Å; K135-L166 HydrophobicContact CG-CG 4.14Å; R142-L166 HydrophobicContact CB-CD1 4.06Å; R142-L166 HydrophobicContact CG-CD1 4.48Å; D164-L166 PolarHBondContact O-N 3.22Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 VanDerWaalsContact OD1-CB 3.29Å; D164-L166 WeakPolarHBondContact OD1-CB 3.25Å; D164-L166 PolarHBondContact OD1-N 2.93Å |
| 167 | Q | 90.7 | Very high | 91.4 | Very high | 137 Ų | 137 | 63.1 Ų | 63.1 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -87.7 | -15.6 | 179.4 | -54.7 | -56.9 | -39.6 | 0 | 0 | 113 | D164 I165 | D164-Q167 HydrophobicContact CB-CG 3.93Å; D164-Q167 PolarHBondContact O-N 2.99Å; D164-Q167 VanDerWaalsContact O-N 3.09Å; D164-Q167 WeakPolarHBondContact OD2-CG 3.49Å; D164-Q167 PolarHBondContact OD2-NE2 3.34Å; I165-Q167 VanDerWaalsContact C-N 3.3Å |
| 168 | D | 88.4 | Confident | 91.2 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | trans | -142.7 | 97.7 | -176.6 | -166.7 | -43.6 | 0 | 0 | 0 | 111.2 | R120 F163 V170 V171 R172 | R120-D168 IonicContact CZ-OD2 2.79Å; R120-D168 IonicContact NH1-OD1 3.92Å; R120-D168 IonicContact NH1-OD2 2.78Å; R120-D168 PolarHBondContact NH1-OD2 2.81Å; R120-D168 IonicContact NH2-OD2 3.73Å; R120-D168 PolarHBondContact NH2-OD2 3.31Å; F163-D168 HydrophobicContact CE1-CB 4.17Å; F163-D168 HydrophobicContact CZ-CB 3.89Å; D168-V170 VanDerWaalsContact C-N 3.26Å; D168-V170 PolarHBondContact O-N 3.43Å; D168-V170 WeakPolarHBondContact OD1-CA 3.4Å; D168-V170 WeakPolarHBondContact OD1-CB 3.46Å; D168-V170 PolarHBondContact OD1-N 3.31Å; D168-V171 HydrophobicContact CB-CB 4.07Å; D168-V171 HydrophobicContact CB-CG2 4.23Å; D168-V171 PolarHBondContact O-N 2.84Å; D168-V171 PolarHBondContact OD1-N 2.87Å; D168-R172 VanDerWaalsContact O-CB 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.37Å; D168-R172 PolarHBondContact O-N 2.92Å | ||
| 169 | E | 84 | Confident | 90.8 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -27.9 | -178.8 | -167.5 | 60.8 | -148.9 | 0 | 0 | 112.2 | R172 Q173 | E169-R172 PolarHBondContact O-N 3.08Å; E169-R172 IonicContact OE1-NH1 3.7Å; E169-R172 VanDerWaalsContact OE2-CD 3.29Å; E169-R172 WeakPolarHBondContact OE2-CD 3.29Å; E169-R172 IonicContact OE2-CZ 3.73Å; E169-R172 IonicContact OE2-NE 3.02Å; E169-R172 IonicContact OE2-NH1 2.83Å; E169-R172 PolarHBondContact OE2-NH1 2.99Å; E169-Q173 HydrophobicContact CG-CG 4.47Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.95Å; E169-Q173 PolarHBondContact OE1-NE2 2.8Å |
| 170 | V | 83.7 | Confident | 90.5 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 53% | 0.527 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.4 | -47.9 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | L117 D168 R172 G174 | L117-V170 HydrophobicContact CD1-CG1 3.78Å; L117-V170 HydrophobicContact CD2-CG1 3.99Å; L117-V170 HydrophobicContact CG-CG1 4.49Å; D168-V170 VanDerWaalsContact C-N 3.26Å; D168-V170 PolarHBondContact O-N 3.43Å; D168-V170 WeakPolarHBondContact OD1-CA 3.4Å; D168-V170 WeakPolarHBondContact OD1-CB 3.46Å; D168-V170 PolarHBondContact OD1-N 3.31Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 3.46Å; V170-G174 WeakPolarHBondContact O-CA 3.47Å; V170-G174 PolarHBondContact O-N 3.32Å |
| 171 | V | 89.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | L121 L124 F133 F163 D168 Q173 G174 L175 | L121-V171 HydrophobicContact CD2-CB 4.31Å; L121-V171 HydrophobicContact CD2-CG1 3.82Å; L121-V171 HydrophobicContact CD2-CG2 4.42Å; L124-V171 HydrophobicContact CD1-CG1 3.94Å; L124-V171 HydrophobicContact CD1-CG2 3.79Å; F133-V171 HydrophobicContact CE1-CG1 4.42Å; F163-V171 HydrophobicContact CD1-CG1 4.11Å; F163-V171 HydrophobicContact CE1-CB 3.99Å; F163-V171 HydrophobicContact CE1-CG1 3.51Å; F163-V171 HydrophobicContact CZ-CB 4.1Å; F163-V171 HydrophobicContact CZ-CG1 3.88Å; F163-V171 HydrophobicContact CZ-CG2 4.11Å; D168-V171 HydrophobicContact CB-CB 4.07Å; D168-V171 HydrophobicContact CB-CG2 4.23Å; D168-V171 PolarHBondContact O-N 2.84Å; D168-V171 PolarHBondContact OD1-N 2.87Å; V171-Q173 PolarHBondContact O-N 3.27Å; V171-G174 PolarHBondContact O-N 3.31Å; V171-L175 VanDerWaalsContact O-CB 3.24Å; V171-L175 WeakPolarHBondContact O-CB 3.41Å; V171-L175 PolarHBondContact O-N 3.03Å |
| 172 | R | 91.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | -179.6 | 178.7 | -178.1 | 178.1 | -168.3 | -0.6 | 113.2 | I165 D168 E169 V170 Y184 | I165-R172 HydrophobicContact CB-CB 4.17Å; I165-R172 HydrophobicContact CB-CG 4.23Å; I165-R172 HydrophobicContact CD1-CG 3.8Å; D168-R172 VanDerWaalsContact O-CB 3.3Å; D168-R172 WeakPolarHBondContact O-CB 3.37Å; D168-R172 PolarHBondContact O-N 2.92Å; E169-R172 PolarHBondContact O-N 3.08Å; E169-R172 IonicContact OE1-NH1 3.7Å; E169-R172 VanDerWaalsContact OE2-CD 3.29Å; E169-R172 WeakPolarHBondContact OE2-CD 3.29Å; E169-R172 IonicContact OE2-CZ 3.73Å; E169-R172 IonicContact OE2-NE 3.02Å; E169-R172 IonicContact OE2-NH1 2.83Å; E169-R172 PolarHBondContact OE2-NH1 2.99Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 3.46Å; R172-Y184 WeakPolarHBondContact CA-OH 3.49Å; R172-Y184 HydrophobicContact CG-CE2 3.85Å; R172-Y184 PolarHBondContact O-OH 2.86Å |
| 173 | Q | 86.9 | Confident | 89.5 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -76.2 | -43.4 | 178.4 | -63.3 | -59.2 | -28.4 | 0 | 0 | 110.8 | E169 V171 L175 K176 S177 | E169-Q173 HydrophobicContact CG-CG 4.47Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.95Å; E169-Q173 PolarHBondContact OE1-NE2 2.8Å; V171-Q173 PolarHBondContact O-N 3.27Å; Q173-L175 PolarHBondContact O-N 3.08Å; Q173-K176 PolarHBondContact O-N 3.24Å; Q173-S177 PolarHBondContact O-N 3.35Å |
| 174 | G | 88.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L121 V170 V171 K176 S177 Y178 | L121-G174 VanDerWaalsContact CD1-C 3.43Å; V170-G174 WeakPolarHBondContact O-CA 3.47Å; V170-G174 PolarHBondContact O-N 3.32Å; V171-G174 PolarHBondContact O-N 3.31Å; G174-K176 VanDerWaalsContact C-N 3.34Å; G174-K176 PolarHBondContact O-N 3.46Å; G174-S177 PolarHBondContact O-N 3.28Å; G174-Y178 WeakPolarHBondContact O-CB 3.42Å; G174-Y178 PolarHBondContact O-N 3.39Å |
| 175 | L | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | -177.9 | -167.9 | 76.1 | 0 | 0 | 0 | 112 | L121 I125 F133 V171 Q173 S177 Y178 S179 Y184 Y188 | L121-L175 HydrophobicContact CD2-CB 3.93Å; L121-L175 HydrophobicContact CD2-CD1 3.97Å; I125-L175 HydrophobicContact CD1-CD1 3.67Å; I125-L175 HydrophobicContact CG1-CD1 3.88Å; F133-L175 HydrophobicContact CB-CD2 3.83Å; F133-L175 HydrophobicContact CD1-CD2 3.53Å; F133-L175 HydrophobicContact CD2-CD2 3.74Å; F133-L175 HydrophobicContact CE1-CD1 4.46Å; F133-L175 HydrophobicContact CE1-CD2 3.96Å; F133-L175 HydrophobicContact CE2-CD1 4.48Å; F133-L175 HydrophobicContact CE2-CD2 4.16Å; F133-L175 HydrophobicContact CG-CD2 3.41Å; F133-L175 VanDerWaalsContact CG-CD2 3.41Å; F133-L175 HydrophobicContact CZ-CD1 4.28Å; F133-L175 HydrophobicContact CZ-CD2 4.25Å; V171-L175 VanDerWaalsContact O-CB 3.24Å; V171-L175 WeakPolarHBondContact O-CB 3.41Å; V171-L175 PolarHBondContact O-N 3.03Å; Q173-L175 PolarHBondContact O-N 3.08Å; L175-S177 VanDerWaalsContact C-N 3.29Å; L175-S177 PolarHBondContact O-N 3.04Å; L175-Y178 PolarHBondContact O-N 3.1Å; L175-S179 VanDerWaalsContact O-CB 3.29Å; L175-S179 WeakPolarHBondContact O-CB 3.27Å; L175-S179 PolarHBondContact O-N 3.02Å; L175-S179 PolarHBondContact O-OG 3.41Å; L175-Y184 WeakPolarHBondContact CB-OH 3.48Å; L175-Y184 HydrophobicContact CD2-CE1 3.87Å; L175-Y188 HydrophobicContact CD1-CE2 4.42Å; L175-Y188 HydrophobicContact CD2-CE2 4.29Å |
| 176 | K | 87.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 60 Ų | 60 | 27% | 0.274 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 175.6 | -69.5 | -177.6 | 174.3 | -165.3 | 0 | 112.2 | Q173 G174 N180 W181 P182 Y184 | Q173-K176 PolarHBondContact O-N 3.24Å; G174-K176 VanDerWaalsContact C-N 3.34Å; G174-K176 PolarHBondContact O-N 3.46Å; K176-N180 CarbonylContact O-C 3.58Å; K176-N180 WeakPolarHBondContact O-CA 3.49Å; K176-N180 PolarHBondContact O-N 2.84Å; K176-N180 VanDerWaalsContact O-N 3.15Å; K176-W181 WeakPolarHBondContact CA-O 3.38Å; K176-W181 WeakPolarHBondContact CB-O 3.36Å; K176-W181 WeakPolarHBondContact CG-O 3.46Å; K176-W181 PolarHBondContact O-N 2.86Å; K176-P182 VanDerWaalsContact CE-O 3.28Å; K176-P182 WeakPolarHBondContact CE-O 3.45Å; K176-P182 PolarHBondContact NZ-O 3.43Å; K176-Y184 HydrophobicContact CD-CE2 4.4Å; K176-Y184 HydrophobicContact CG-CE2 3.95Å |
| 177 | S | 84.7 | Confident | 89.8 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 70% | 0.699 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.9 | -44.2 | 177.3 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | Q173 G174 L175 S179 N180 | Q173-S177 PolarHBondContact O-N 3.35Å; G174-S177 PolarHBondContact O-N 3.28Å; L175-S177 VanDerWaalsContact C-N 3.29Å; L175-S177 PolarHBondContact O-N 3.04Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.21Å; S177-N180 PolarHBondContact O-N 3.45Å |
| 178 | Y | 86.8 | Confident | 90.2 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | -179.4 | -177.8 | -85.5 | 0 | 0 | 0 | 112.3 | L121 H122 I125 G174 L175 | L121-Y178 HydrophobicContact CB-CD2 4.31Å; L121-Y178 HydrophobicContact CB-CG 4.37Å; L121-Y178 HydrophobicContact CD1-CD2 4.12Å; L121-Y178 HydrophobicContact CD1-CG 4.03Å; H122-Y178 PolarHBondContact ND1-OH 3.37Å; I125-Y178 HydrophobicContact CD1-CD1 3.75Å; I125-Y178 HydrophobicContact CD1-CE1 3.49Å; I125-Y178 VanDerWaalsContact CD1-CE1 3.49Å; G174-Y178 WeakPolarHBondContact O-CB 3.42Å; G174-Y178 PolarHBondContact O-N 3.39Å; L175-Y178 PolarHBondContact O-N 3.1Å |
| 179 | S | 86.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.4 | -177.2 | 80.1 | 0 | 0 | 0 | 0 | 113.7 | L175 S177 W181 Q186 Y188 | L175-S179 VanDerWaalsContact O-CB 3.29Å; L175-S179 WeakPolarHBondContact O-CB 3.27Å; L175-S179 PolarHBondContact O-N 3.02Å; L175-S179 PolarHBondContact O-OG 3.41Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.21Å; S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 WeakPolarHBondContact OG-CB 3.47Å; S179-W181 PolarHBondContact OG-N 2.85Å; S179-Q186 PolarHBondContact OG-OE1 2.76Å; S179-Y188 WeakPolarHBondContact CB-OH 3.4Å |
| 180 | N | 87.4 | Confident | 91 | Very high | 149 Ų | 149 | 51 Ų | 51 | 80% | 0.797 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.3 | -167.5 | -165.2 | 30.4 | 0 | 0 | 0 | 112.8 | K176 S177 | K176-N180 CarbonylContact O-C 3.58Å; K176-N180 WeakPolarHBondContact O-CA 3.49Å; K176-N180 PolarHBondContact O-N 2.84Å; K176-N180 VanDerWaalsContact O-N 3.15Å; S177-N180 PolarHBondContact O-N 3.45Å |
| 181 | W | 90.2 | Very high | 91.4 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | trans | -123.4 | 125.5 | -176 | -163.9 | -90.7 | 0 | 0 | 0 | 112.2 | K176 S179 T183 Q186 L193 I199 | K176-W181 WeakPolarHBondContact CA-O 3.38Å; K176-W181 WeakPolarHBondContact CB-O 3.36Å; K176-W181 WeakPolarHBondContact CG-O 3.46Å; K176-W181 PolarHBondContact O-N 2.86Å; S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 WeakPolarHBondContact OG-CB 3.47Å; S179-W181 PolarHBondContact OG-N 2.85Å; W181-T183 VanDerWaalsContact CD1-O 3.28Å; W181-T183 PolarHBondContact NE1-OG1 2.81Å; W181-Q186 HydrophobicContact CG-CG 4.41Å; W181-Q186 PolarHBondContact O-NE2 2.72Å; W181-L193 HydrophobicContact CB-CD2 3.97Å; W181-L193 HydrophobicContact CD2-CD2 4.06Å; W181-L193 HydrophobicContact CE3-CD2 3.71Å; W181-L193 HydrophobicContact CG-CD2 4.18Å; W181-I199 HydrophobicContact CH2-CD1 3.37Å; W181-I199 HydrophobicContact CH2-CG1 4.48Å; W181-I199 HydrophobicContact CZ2-CD1 4.13Å; W181-I199 HydrophobicContact CZ3-CD1 4.17Å | ||
| 182 | P | 88.5 | Confident | 91.6 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | trans | -81 | -23.1 | -165.6 | 28.2 | -33.9 | 0 | 0 | 0 | 114.9 | K176 | K176-P182 VanDerWaalsContact CE-O 3.28Å; K176-P182 WeakPolarHBondContact CE-O 3.45Å; K176-P182 PolarHBondContact NZ-O 3.43Å | ||
| 183 | T | 92.3 | Very high | 91.9 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -123.2 | 170.2 | -164.8 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | W181 Q186 | W181-T183 VanDerWaalsContact CD1-O 3.28Å; W181-T183 PolarHBondContact NE1-OG1 2.81Å; T183-Q186 VanDerWaalsContact O-CG 3.23Å; T183-Q186 WeakPolarHBondContact O-CG 3.27Å; T183-Q186 PolarHBondContact O-NE2 2.82Å |
| 184 | Y | 95.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -128.8 | 149.3 | 171.8 | -74.2 | -76.9 | 0 | 0 | 0 | 108.9 | F133 I165 R172 L175 K176 Q186 | F133-Y184 HydrophobicContact CB-CD1 4.18Å; F133-Y184 HydrophobicContact CB-CE1 3.91Å; I165-Y184 HydrophobicContact CB-CE1 4.4Å; I165-Y184 HydrophobicContact CD1-CD2 3.97Å; I165-Y184 HydrophobicContact CD1-CE2 4.2Å; I165-Y184 HydrophobicContact CD1-CG 4.22Å; I165-Y184 HydrophobicContact CG1-CD1 4.26Å; I165-Y184 HydrophobicContact CG1-CD2 4.41Å; I165-Y184 HydrophobicContact CG1-CE1 4.41Å; I165-Y184 HydrophobicContact CG1-CG 4.25Å; I165-Y184 HydrophobicContact CG2-CD1 4.14Å; I165-Y184 HydrophobicContact CG2-CE1 3.64Å; R172-Y184 WeakPolarHBondContact CA-OH 3.49Å; R172-Y184 HydrophobicContact CG-CE2 3.85Å; R172-Y184 PolarHBondContact O-OH 2.86Å; L175-Y184 WeakPolarHBondContact CB-OH 3.48Å; L175-Y184 HydrophobicContact CD2-CE1 3.87Å; K176-Y184 HydrophobicContact CD-CE2 4.4Å; K176-Y184 HydrophobicContact CG-CE2 3.95Å; Y184-Q186 HydrophobicContact CD1-CB 4.49Å; Y184-Q186 HydrophobicContact CD1-CG 3.92Å; Y184-Q186 HydrophobicContact CE1-CG 4.08Å |
| 185 | P | 97.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | cis | -72.7 | 159.9 | 5.1 | 30.6 | -36 | 0 | 0 | 0 | 114.1 | L132 F133 M134 F145 I149 G196 V197 | L132-P185 HydrophobicContact CD1-CB 3.83Å; F133-P185 CarbonylContact O-C 3.15Å; F133-P185 WeakPolarHBondContact O-CA 3.42Å; F133-P185 WeakPolarHBondContact O-CB 3.32Å; M134-P185 HydrophobicContact CB-CB 4.38Å; F145-P185 HydrophobicContact CB-CG 4.37Å; I149-P185 HydrophobicContact CB-CG 4.05Å; I149-P185 HydrophobicContact CD1-CB 4.29Å; I149-P185 HydrophobicContact CD1-CG 4.03Å; I149-P185 HydrophobicContact CG2-CB 3.81Å; I149-P185 HydrophobicContact CG2-CG 3.55Å; P185-G196 WeakPolarHBondContact O-CA 3.47Å; P185-V197 HydrophobicContact CG-CB 4.26Å | ||
| 186 | Q | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.9 | 171.9 | -61.2 | -177.1 | 10.5 | 0 | 0 | 109.7 | F133 S179 W181 T183 Y184 Y188 L193 | F133-Q186 HydrophobicContact CB-CB 4.44Å; F133-Q186 PolarHBondContact N-O 3.47Å; F133-Q186 PolarHBondContact O-N 2.96Å; S179-Q186 PolarHBondContact OG-OE1 2.76Å; W181-Q186 HydrophobicContact CG-CG 4.41Å; W181-Q186 PolarHBondContact O-NE2 2.72Å; T183-Q186 VanDerWaalsContact O-CG 3.23Å; T183-Q186 WeakPolarHBondContact O-CG 3.27Å; T183-Q186 PolarHBondContact O-NE2 2.82Å; Y184-Q186 HydrophobicContact CD1-CB 4.49Å; Y184-Q186 HydrophobicContact CD1-CG 3.92Å; Y184-Q186 HydrophobicContact CE1-CG 4.08Å; Q186-Y188 HydrophobicContact CB-CE2 3.97Å; Q186-Y188 PolarHBondContact OE1-OH 3.16Å; Q186-L193 HydrophobicContact CB-CD1 4.18Å |
| 187 | L | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.5 | 175.8 | -179.4 | 65.6 | 0 | 0 | 0 | 110.5 | V130 L132 I149 L153 V189 V194 G195 V200 L209 | V130-L187 HydrophobicContact CG1-CD1 3.72Å; L132-L187 HydrophobicContact CB-CD1 4.41Å; I149-L187 HydrophobicContact CD1-CB 4.04Å; L153-L187 HydrophobicContact CD1-CD1 4.03Å; L153-L187 HydrophobicContact CD2-CD1 4.17Å; L153-L187 HydrophobicContact CD2-CD2 3.99Å; L187-V189 HydrophobicContact CG-CG2 4.43Å; L187-V194 HydrophobicContact CB-CB 4.26Å; L187-V194 HydrophobicContact CD2-CB 4.22Å; L187-V194 HydrophobicContact CD2-CG1 4.31Å; L187-V194 HydrophobicContact CD2-CG2 4.3Å; L187-V194 HydrophobicContact CG-CB 4.23Å; L187-V194 HydrophobicContact CG-CG2 4.23Å; L187-V194 WeakPolarHBondContact O-CB 3.49Å; L187-V194 PolarHBondContact O-N 2.84Å; L187-G195 PolarHBondContact N-O 2.58Å; L187-G195 PolarHBondContact O-N 2.97Å; L187-V200 HydrophobicContact CB-CG2 4.02Å; L187-V200 HydrophobicContact CD2-CG1 4.08Å; L187-V200 HydrophobicContact CD2-CG2 3.61Å; L187-V200 HydrophobicContact CG-CG2 4.46Å; L187-L209 HydrophobicContact CD2-CD1 4.26Å |
| 188 | Y | 97.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.5 | 171.8 | -70.9 | -101.6 | 0 | 0 | 0 | 110.4 | I125 V130 M131 F133 L175 S179 Q186 E192 L193 | I125-Y188 HydrophobicContact CB-CD1 4.37Å; I125-Y188 HydrophobicContact CD1-CD1 4.32Å; I125-Y188 HydrophobicContact CD1-CE1 3.72Å; I125-Y188 HydrophobicContact CG1-CD1 4.1Å; I125-Y188 HydrophobicContact CG1-CE1 3.9Å; I125-Y188 HydrophobicContact CG1-CE2 4.34Å; I125-Y188 HydrophobicContact CG1-CG 4.37Å; I125-Y188 HydrophobicContact CG2-CD1 3.42Å; I125-Y188 VanDerWaalsContact CG2-CD1 3.42Å; I125-Y188 HydrophobicContact CG2-CE1 3.92Å; I125-Y188 HydrophobicContact CG2-CG 3.9Å; V130-Y188 WeakPolarHBondContact CA-O 3.41Å; M131-Y188 PolarHBondContact N-O 2.64Å; M131-Y188 PolarHBondContact O-N 2.74Å; F133-Y188 AromaticContact CD2-CD2 3.69Å; F133-Y188 HydrophobicContact CD2-CD2 3.69Å; F133-Y188 AromaticContact CD2-CE2 3.77Å; F133-Y188 HydrophobicContact CD2-CE2 3.77Å; F133-Y188 AromaticContact CE2-CD2 3.72Å; F133-Y188 HydrophobicContact CE2-CD2 3.72Å; F133-Y188 AromaticContact CE2-CE2 3.89Å; F133-Y188 HydrophobicContact CE2-CE2 3.89Å; L175-Y188 HydrophobicContact CD1-CE2 4.42Å; L175-Y188 HydrophobicContact CD2-CE2 4.29Å; S179-Y188 WeakPolarHBondContact CB-OH 3.4Å; Q186-Y188 HydrophobicContact CB-CE2 3.97Å; Q186-Y188 PolarHBondContact OE1-OH 3.16Å; Y188-E192 CarbonylContact C-O 3.54Å; Y188-E192 WeakPolarHBondContact CA-O 3.43Å; Y188-L193 HydrophobicContact CD1-CB 4.2Å; Y188-L193 HydrophobicContact CD2-CD1 4.36Å; Y188-L193 HydrophobicContact CE1-CB 3.8Å; Y188-L193 HydrophobicContact CE1-CD1 4.21Å; Y188-L193 HydrophobicContact CE2-CD1 3.85Å |
| 189 | V | 96.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.3 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | P129 V130 L187 G191 E192 V194 M212 L213 | P129-V189 CarbonylContact O-C 3.54Å; P129-V189 WeakPolarHBondContact O-CA 3.38Å; V130-V189 HydrophobicContact CG1-CG2 4.36Å; V130-V189 HydrophobicContact CG2-CG2 4.45Å; L187-V189 HydrophobicContact CG-CG2 4.43Å; V189-G191 PolarHBondContact O-N 2.92Å; V189-E192 PolarHBondContact N-O 3.14Å; V189-E192 PolarHBondContact O-N 2.82Å; V189-V194 HydrophobicContact CB-CG2 3.91Å; V189-V194 HydrophobicContact CG2-CG2 3.56Å; V189-M212 WeakPolarHBondContact CG1-O 3.45Å; V189-L213 HydrophobicContact CG2-CD2 3.95Å |
| 190 | K | 93.4 | Very high | 94.8 | Very high | 120 Ų | 120 | 43.9 Ų | 43.9 | 52% | 0.522 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.2 | -178.4 | -59.5 | 173.2 | -173.3 | 169.8 | 0 | 112.9 | P129 E192 I214 V215 | P129-K190 PolarHBondContact O-N 3.05Å; K190-E192 VanDerWaalsContact C-N 3.3Å; K190-E192 PolarHBondContact O-N 3.34Å; K190-I214 PolarHBondContact NZ-O 2.77Å; K190-V215 HydrophobicContact CG-CG1 4.37Å |
| 191 | G | 92.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -11.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | I125 N126 V189 | I125-G191 WeakPolarHBondContact CG2-O 3.48Å; N126-G191 VanDerWaalsContact OD1-CA 3.3Å; N126-G191 WeakPolarHBondContact OD1-CA 3.49Å; V189-G191 PolarHBondContact O-N 2.92Å |
| 192 | E | 94.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 44 Ų | 44 | 68% | 0.678 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.4 | -174.6 | -63.9 | -61 | 147.2 | 0 | 0 | 111.8 | Y188 V189 K190 V194 | Y188-E192 CarbonylContact C-O 3.54Å; Y188-E192 WeakPolarHBondContact CA-O 3.43Å; V189-E192 PolarHBondContact N-O 3.14Å; V189-E192 PolarHBondContact O-N 2.82Å; K190-E192 VanDerWaalsContact C-N 3.3Å; K190-E192 PolarHBondContact O-N 3.34Å; E192-V194 PolarHBondContact O-N 2.84Å |
| 193 | L | 96.2 | Very high | 96 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.7 | 176.8 | 176.7 | 69.8 | 0 | 0 | 0 | 109.9 | W181 Q186 Y188 | W181-L193 HydrophobicContact CB-CD2 3.97Å; W181-L193 HydrophobicContact CD2-CD2 4.06Å; W181-L193 HydrophobicContact CE3-CD2 3.71Å; W181-L193 HydrophobicContact CG-CD2 4.18Å; Q186-L193 HydrophobicContact CB-CD1 4.18Å; Y188-L193 HydrophobicContact CD1-CB 4.2Å; Y188-L193 HydrophobicContact CD2-CD1 4.36Å; Y188-L193 HydrophobicContact CE1-CB 3.8Å; Y188-L193 HydrophobicContact CE1-CD1 4.21Å; Y188-L193 HydrophobicContact CE2-CD1 3.85Å |
| 194 | V | 96.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 11% | 0.109 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -42.8 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | L187 V189 E192 V200 L203 M212 | L187-V194 HydrophobicContact CB-CB 4.26Å; L187-V194 HydrophobicContact CD2-CB 4.22Å; L187-V194 HydrophobicContact CD2-CG1 4.31Å; L187-V194 HydrophobicContact CD2-CG2 4.3Å; L187-V194 HydrophobicContact CG-CB 4.23Å; L187-V194 HydrophobicContact CG-CG2 4.23Å; L187-V194 WeakPolarHBondContact O-CB 3.49Å; L187-V194 PolarHBondContact O-N 2.84Å; V189-V194 HydrophobicContact CB-CG2 3.91Å; V189-V194 HydrophobicContact CG2-CG2 3.56Å; E192-V194 PolarHBondContact O-N 2.84Å; V194-V200 HydrophobicContact CG1-CG2 3.97Å; V194-L203 HydrophobicContact CG1-CD1 3.48Å; V194-L203 VanDerWaalsContact CG1-CD1 3.48Å; V194-M212 HydrophobicContact CG1-CE 4.25Å; V194-M212 HydrophobicContact CG2-CE 3.73Å |
| 195 | G | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.7 | -159.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L187 | L187-G195 PolarHBondContact N-O 2.58Å; L187-G195 PolarHBondContact O-N 2.97Å |
| 196 | G | 96.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -85.2 | -179.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P185 D198 I199 V200 | P185-G196 WeakPolarHBondContact O-CA 3.47Å; G196-D198 VanDerWaalsContact C-N 3.25Å; G196-D198 PolarHBondContact O-N 3.28Å; G196-I199 PolarHBondContact O-N 3.47Å; G196-V200 WeakPolarHBondContact O-CG2 3.34Å; G196-V200 PolarHBondContact O-N 3.44Å |
| 197 | V | 96.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -33.7 | -178.6 | 64 | 0 | 0 | 0 | 0 | 114.1 | F145 Q148 I149 I152 P185 R201 | F145-V197 HydrophobicContact CB-CG1 4.07Å; F145-V197 HydrophobicContact CD1-CG1 3.61Å; F145-V197 HydrophobicContact CE1-CG1 4.4Å; F145-V197 HydrophobicContact CG-CG1 4.18Å; Q148-V197 HydrophobicContact CB-CG2 3.78Å; I149-V197 HydrophobicContact CB-CB 4.32Å; I149-V197 HydrophobicContact CB-CG2 4.1Å; I152-V197 HydrophobicContact CD1-CG2 4.37Å; P185-V197 HydrophobicContact CG-CB 4.26Å; V197-R201 WeakPolarHBondContact O-CB 3.33Å; V197-R201 PolarHBondContact O-N 2.77Å |
| 198 | D | 95.8 | Very high | 95.7 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.8 | -46.7 | -177.7 | -59.7 | -45.8 | 0 | 0 | 0 | 111.6 | G196 V200 R201 E202 | G196-D198 VanDerWaalsContact C-N 3.25Å; G196-D198 PolarHBondContact O-N 3.28Å; D198-V200 VanDerWaalsContact C-N 3.34Å; D198-V200 PolarHBondContact O-N 3.45Å; D198-R201 WeakPolarHBondContact O-CB 3.28Å; D198-R201 PolarHBondContact O-N 2.88Å; D198-R201 IonicContact OD1-CZ 3.59Å; D198-R201 IonicContact OD1-NH1 3.1Å; D198-R201 PolarHBondContact OD1-NH1 3.07Å; D198-R201 IonicContact OD1-NH2 3.42Å; D198-R201 PolarHBondContact OD1-NH2 2.64Å; D198-E202 WeakPolarHBondContact O-CG 3.4Å; D198-E202 PolarHBondContact O-N 3.17Å |
| 199 | I | 96.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 173 | -64.6 | -177.3 | 0 | 0 | 0 | 110.6 | W181 G196 R201 E202 L203 | W181-I199 HydrophobicContact CH2-CD1 3.37Å; W181-I199 HydrophobicContact CH2-CG1 4.48Å; W181-I199 HydrophobicContact CZ2-CD1 4.13Å; W181-I199 HydrophobicContact CZ3-CD1 4.17Å; G196-I199 PolarHBondContact O-N 3.47Å; I199-R201 PolarHBondContact O-N 3.14Å; I199-E202 PolarHBondContact O-N 2.84Å; I199-L203 HydrophobicContact CG2-CD1 3.89Å; I199-L203 HydrophobicContact CG2-CG 4.27Å; I199-L203 WeakPolarHBondContact O-CG 3.2Å; I199-L203 PolarHBondContact O-N 3.32Å |
| 200 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | I149 I152 L187 V194 G196 D198 A204 L209 | I149-V200 HydrophobicContact CD1-CB 4.22Å; I149-V200 HydrophobicContact CD1-CG1 4.31Å; I149-V200 HydrophobicContact CD1-CG2 4.01Å; I149-V200 HydrophobicContact CG1-CB 4.37Å; I149-V200 HydrophobicContact CG1-CG1 4.01Å; I152-V200 HydrophobicContact CG2-CG1 3.98Å; L187-V200 HydrophobicContact CB-CG2 4.02Å; L187-V200 HydrophobicContact CD2-CG1 4.08Å; L187-V200 HydrophobicContact CD2-CG2 3.61Å; L187-V200 HydrophobicContact CG-CG2 4.46Å; V194-V200 HydrophobicContact CG1-CG2 3.97Å; G196-V200 WeakPolarHBondContact O-CG2 3.34Å; G196-V200 PolarHBondContact O-N 3.44Å; D198-V200 VanDerWaalsContact C-N 3.34Å; D198-V200 PolarHBondContact O-N 3.45Å; V200-A204 WeakPolarHBondContact O-CB 3.43Å; V200-A204 PolarHBondContact O-N 3.42Å; V200-L209 HydrophobicContact CG1-CD1 4.22Å; V200-L209 HydrophobicContact CG1-CD2 3.8Å |
| 201 | R | 96.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 56 Ų | 56 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 173.2 | -168 | -174.2 | -54.7 | 105.5 | 0.6 | 111.3 | I152 V197 D198 I199 L203 A204 D205 | I152-R201 HydrophobicContact CD1-CB 3.92Å; I152-R201 HydrophobicContact CD1-CG 4.25Å; V197-R201 WeakPolarHBondContact O-CB 3.33Å; V197-R201 PolarHBondContact O-N 2.77Å; D198-R201 WeakPolarHBondContact O-CB 3.28Å; D198-R201 PolarHBondContact O-N 2.88Å; D198-R201 IonicContact OD1-CZ 3.59Å; D198-R201 IonicContact OD1-NH1 3.1Å; D198-R201 PolarHBondContact OD1-NH1 3.07Å; D198-R201 IonicContact OD1-NH2 3.42Å; D198-R201 PolarHBondContact OD1-NH2 2.64Å; I199-R201 PolarHBondContact O-N 3.14Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.15Å; R201-A204 WeakPolarHBondContact O-CB 3.37Å; R201-A204 PolarHBondContact O-N 3.44Å; R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.94Å |
| 202 | E | 96.9 | Very high | 95.4 | Very high | 135 Ų | 135 | 58.6 Ų | 58.6 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.2 | -43.5 | 177 | -70.7 | 172.8 | -169.4 | 0 | 0 | 111.9 | D198 I199 A204 D205 S206 | D198-E202 WeakPolarHBondContact O-CG 3.4Å; D198-E202 PolarHBondContact O-N 3.17Å; I199-E202 PolarHBondContact O-N 2.84Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 2.9Å; E202-D205 PolarHBondContact O-N 2.85Å; E202-S206 PolarHBondContact O-N 3.27Å; E202-S206 PolarHBondContact O-OG 3.13Å |
| 203 | L | 96.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 175.6 | -67 | 172.3 | 0 | 0 | 0 | 112.7 | V194 I199 R201 S206 G207 E208 L209 M212 | V194-L203 HydrophobicContact CG1-CD1 3.48Å; V194-L203 VanDerWaalsContact CG1-CD1 3.48Å; I199-L203 HydrophobicContact CG2-CD1 3.89Å; I199-L203 HydrophobicContact CG2-CG 4.27Å; I199-L203 WeakPolarHBondContact O-CG 3.2Å; I199-L203 PolarHBondContact O-N 3.32Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.15Å; L203-S206 PolarHBondContact O-OG 2.87Å; L203-G207 PolarHBondContact O-N 2.85Å; L203-E208 HydrophobicContact CD2-CB 4.01Å; L203-E208 PolarHBondContact O-N 3.29Å; L203-E208 VanDerWaalsContact O-N 3.08Å; L203-L209 HydrophobicContact CB-CB 3.83Å; L203-L209 WeakPolarHBondContact O-CB 3.36Å; L203-L209 PolarHBondContact O-N 3.15Å; L203-M212 HydrophobicContact CD1-SD 4.07Å |
| 204 | A | 95.9 | Very high | 95 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | I152 V200 R201 E202 S206 G207 L209 | I152-A204 HydrophobicContact CG2-CB 3.68Å; V200-A204 WeakPolarHBondContact O-CB 3.43Å; V200-A204 PolarHBondContact O-N 3.42Å; R201-A204 WeakPolarHBondContact O-CB 3.37Å; R201-A204 PolarHBondContact O-N 3.44Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 2.9Å; A204-S206 VanDerWaalsContact C-N 3.32Å; A204-S206 PolarHBondContact O-N 3.38Å; A204-G207 PolarHBondContact O-N 3.18Å; A204-G207 VanDerWaalsContact O-N 3.17Å; A204-L209 HydrophobicContact CB-CB 4.4Å; A204-L209 HydrophobicContact CB-CD2 3.79Å |
| 205 | D | 95.1 | Very high | 94.2 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 71% | 0.711 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.8 | -32.9 | 179.6 | -66.4 | -20 | 0 | 0 | 0 | 111.8 | R201 E202 | R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.94Å; E202-D205 PolarHBondContact O-N 2.85Å |
| 206 | S | 95.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.4 | -13.8 | 173.9 | 74 | 0 | 0 | 0 | 0 | 114.2 | E202 L203 A204 E208 | E202-S206 PolarHBondContact O-N 3.27Å; E202-S206 PolarHBondContact O-OG 3.13Å; L203-S206 PolarHBondContact O-OG 2.87Å; A204-S206 VanDerWaalsContact C-N 3.32Å; A204-S206 PolarHBondContact O-N 3.38Å; S206-E208 VanDerWaalsContact C-N 3.25Å; S206-E208 PolarHBondContact O-N 3.2Å; S206-E208 WeakPolarHBondContact OG-CB 3.45Å; S206-E208 WeakPolarHBondContact OG-CG 3.41Å; S206-E208 PolarHBondContact OG-N 3.36Å |
| 207 | G | 93.8 | Very high | 92.4 | Very high | 29 Ų | 29 | 68.3 Ų | 68.3 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L203 A204 L209 A210 | L203-G207 PolarHBondContact O-N 2.85Å; A204-G207 PolarHBondContact O-N 3.18Å; A204-G207 VanDerWaalsContact O-N 3.17Å; G207-L209 VanDerWaalsContact C-N 3.34Å; G207-A210 PolarHBondContact O-N 2.99Å |
| 208 | E | 94.7 | Very high | 92.2 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 176.4 | -72.4 | 175.6 | -140.1 | 0 | 0 | 112.1 | L203 S206 A210 Q211 M212 | L203-E208 HydrophobicContact CD2-CB 4.01Å; L203-E208 PolarHBondContact O-N 3.29Å; L203-E208 VanDerWaalsContact O-N 3.08Å; S206-E208 VanDerWaalsContact C-N 3.25Å; S206-E208 PolarHBondContact O-N 3.2Å; S206-E208 WeakPolarHBondContact OG-CB 3.45Å; S206-E208 WeakPolarHBondContact OG-CG 3.41Å; S206-E208 PolarHBondContact OG-N 3.36Å; E208-A210 VanDerWaalsContact C-N 3.27Å; E208-A210 PolarHBondContact O-N 2.92Å; E208-Q211 WeakPolarHBondContact O-CB 3.49Å; E208-Q211 PolarHBondContact O-N 3.38Å; E208-M212 PolarHBondContact O-N 2.77Å; E208-M212 VanDerWaalsContact O-N 3.11Å |
| 209 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 178.9 | -177.3 | 65.9 | 0 | 0 | 0 | 111.4 | I152 L187 V200 L203 A204 G207 Q211 M212 L213 | I152-L209 HydrophobicContact CG2-CD2 3.58Å; L187-L209 HydrophobicContact CD2-CD1 4.26Å; V200-L209 HydrophobicContact CG1-CD1 4.22Å; V200-L209 HydrophobicContact CG1-CD2 3.8Å; L203-L209 HydrophobicContact CB-CB 3.83Å; L203-L209 WeakPolarHBondContact O-CB 3.36Å; L203-L209 PolarHBondContact O-N 3.15Å; A204-L209 HydrophobicContact CB-CB 4.4Å; A204-L209 HydrophobicContact CB-CD2 3.79Å; G207-L209 VanDerWaalsContact C-N 3.34Å; L209-Q211 PolarHBondContact O-N 3.49Å; L209-M212 PolarHBondContact O-N 3.45Å; L209-M212 VanDerWaalsContact O-N 3.15Å; L209-L213 HydrophobicContact CD1-CD1 3.91Å; L209-L213 HydrophobicContact CD1-CD2 4.49Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CD2-CD1 4.12Å; L209-L213 HydrophobicContact CG-CD1 3.61Å; L209-L213 HydrophobicContact CG-CG 4.18Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 3.01Å |
| 210 | A | 93.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 71.8 Ų | 71.8 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G207 E208 I214 | G207-A210 PolarHBondContact O-N 2.99Å; E208-A210 VanDerWaalsContact C-N 3.27Å; E208-A210 PolarHBondContact O-N 2.92Å; A210-I214 WeakPolarHBondContact O-CG1 3.35Å |
| 211 | Q | 92.8 | Very high | 91.5 | Very high | 141 Ų | 141 | 76.3 Ų | 76.3 | 66% | 0.659 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.2 | -40.4 | 177.1 | -56.9 | 178.7 | 27.7 | 0 | 0 | 111.6 | E208 L209 L213 I214 | E208-Q211 WeakPolarHBondContact O-CB 3.49Å; E208-Q211 PolarHBondContact O-N 3.38Å; L209-Q211 PolarHBondContact O-N 3.49Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 3.06Å; Q211-I214 PolarHBondContact O-N 3.23Å |
| 212 | M | 92.6 | Very high | 91.1 | Very high | 72 Ų | 72 | 76.1 Ų | 76.1 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 178.2 | -65.4 | -178.3 | 74.9 | 0 | 0 | 112.2 | V189 V194 L203 E208 L209 I214 | V189-M212 WeakPolarHBondContact CG1-O 3.45Å; V194-M212 HydrophobicContact CG1-CE 4.25Å; V194-M212 HydrophobicContact CG2-CE 3.73Å; L203-M212 HydrophobicContact CD1-SD 4.07Å; E208-M212 PolarHBondContact O-N 2.77Å; E208-M212 VanDerWaalsContact O-N 3.11Å; L209-M212 PolarHBondContact O-N 3.45Å; L209-M212 VanDerWaalsContact O-N 3.15Å; M212-I214 PolarHBondContact O-N 3.08Å |
| 213 | L | 93.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 71.9 Ų | 71.9 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.5 | -177.1 | -63.2 | 172.1 | 0 | 0 | 0 | 113.6 | V130 L153 N156 A158 V189 L209 Q211 V215 | V130-L213 HydrophobicContact CB-CD2 4.5Å; V130-L213 HydrophobicContact CG1-CD2 3.81Å; V130-L213 HydrophobicContact CG2-CD2 3.81Å; L153-L213 HydrophobicContact CD2-CD1 3.93Å; L153-L213 HydrophobicContact CD2-CD2 4.08Å; N156-L213 HydrophobicContact CB-CD1 4.07Å; A158-L213 HydrophobicContact CB-CD1 3.81Å; A158-L213 HydrophobicContact CB-CD2 4.36Å; A158-L213 HydrophobicContact CB-CG 4.48Å; V189-L213 HydrophobicContact CG2-CD2 3.95Å; L209-L213 HydrophobicContact CD1-CD1 3.91Å; L209-L213 HydrophobicContact CD1-CD2 4.49Å; L209-L213 HydrophobicContact CD1-CG 4.08Å; L209-L213 HydrophobicContact CD2-CD1 4.12Å; L209-L213 HydrophobicContact CG-CD1 3.61Å; L209-L213 HydrophobicContact CG-CG 4.18Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 3.01Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 3.06Å; L213-V215 PolarHBondContact O-N 3.12Å; L213-V215 VanDerWaalsContact O-N 3.08Å |
| 214 | I | 88.4 | Confident | 90.2 | Very high | 122 Ų | 122 | 75.1 Ų | 75.1 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | trans | -74 | 98.9 | 169.3 | -55.9 | 172.8 | 0 | 0 | 0 | 108.5 | K190 A210 Q211 M212 | K190-I214 PolarHBondContact NZ-O 2.77Å; A210-I214 WeakPolarHBondContact O-CG1 3.35Å; Q211-I214 PolarHBondContact O-N 3.23Å; M212-I214 PolarHBondContact O-N 3.08Å | ||
| 215 | V | 78.7 | Confident | 89.8 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | trans | -114.8 | 141.1 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | P129 V130 K190 L213 | P129-V215 HydrophobicContact CB-CB 3.57Å; P129-V215 HydrophobicContact CB-CG1 3.47Å; P129-V215 VanDerWaalsContact CB-CG1 3.47Å; P129-V215 HydrophobicContact CB-CG2 3.9Å; P129-V215 HydrophobicContact CG-CB 4.27Å; P129-V215 HydrophobicContact CG-CG2 4.43Å; V130-V215 HydrophobicContact CG2-CG1 4.06Å; K190-V215 HydrophobicContact CG-CG1 4.37Å; L213-V215 PolarHBondContact O-N 3.12Å; L213-V215 VanDerWaalsContact O-N 3.08Å | ||
| 216 | P | 63.7 | Low | 89.3 | Confident | 182 Ų | 182 | 74.5 Ų | 74.5 | 100% | 1.182 | 44% | 0.435 | S | S | * | . | trans | -64.2 | 0 | 178 | 27.1 | -32.8 | 0 | 0 | 0 | 112.9 |
Retrieved 216 of 216 residues in 485.4 ms
(Link to these results)