A0A3Q0KJP0_SCHMA Loading...

Protein SDA1

Required for 60S pre-ribosomal subunits export to the cytoplasm.

AlphaFold DB , UniProt , Accession A0A3Q0KJP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 760 aa.

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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
1M44.2Very low75.4Confident222 Ų22293 Ų93100%1.09447%0.469SS*.  0121.90-71.9170.2174.300106.7H3M1-H3 PolarHBondContact O-N 3.04Å
2Q49.6Very low76.4Confident201 Ų20189.6 Ų89.694%0.93945%0.45SS*.  trans-64.9107.1174.8-75.9174.7-16.300106.7M4Q2-M4 PolarHBondContact O-N 3.16Å; Q2-M4 VanDerWaalsContact O-N 3.16Å
3H63.6Low77.3Confident110 Ų11082.8 Ų82.851%0.50942%0.416SS..PPolyproline II helixtrans-60.1122.5177-63.9-78.3000108.1M1 E26M1-H3 PolarHBondContact O-N 3.04Å; H3-E26 VanDerWaalsContact CE1-CD 3.49Å; H3-E26 IonicContact CE1-OE1 3.14Å; H3-E26 PolarHBondContact CE1-OE1 3.14Å; H3-E26 IonicContact CE1-OE2 3.43Å; H3-E26 PolarHBondContact CE1-OE2 3.12Å; H3-E26 IonicContact ND1-OE1 3.65Å; H3-E26 IonicContact ND1-OE2 3.12Å; H3-E26 PolarHBondContact ND1-OE2 3.43Å; H3-E26 VanDerWaalsContact ND1-OE2 3.12Å
4M72.2Confident77.8Confident67 Ų6782.6 Ų82.633%0.3342%0.421SS..PPolyproline II helixtrans-54.6136.4173.2-174-179.3-81.700108.8Q2 L6 E8 L9 H12Q2-M4 PolarHBondContact O-N 3.16Å; Q2-M4 VanDerWaalsContact O-N 3.16Å; M4-L6 PolarHBondContact O-N 3.04Å; M4-E8 HydrophobicContact CG-CB 3.67Å; M4-E8 HydrophobicContact SD-CB 3.89Å; M4-L9 HydrophobicContact SD-CB 4.28Å; M4-H12 VanDerWaalsContact SD-CD2 3.53Å
5P84.3Confident78.5Confident63 Ų6387.3 Ų87.341%0.40943%0.432SS..PPolyproline II helixtrans-58.5139.8177.824.4-33.4000109.9S7 E8 L9P5-S7 PolarHBondContact O-N 2.68Å; P5-E8 WeakPolarHBondContact CD-OE2 3.35Å; P5-E8 HydrophobicContact CG-CB 3.99Å; P5-E8 HydrophobicContact CG-CG 3.74Å; P5-E8 WeakPolarHBondContact CG-OE1 3.47Å; P5-E8 WeakPolarHBondContact CG-OE2 3.39Å; P5-E8 PolarHBondContact O-N 3.42Å; P5-L9 PolarHBondContact O-N 3.08Å
6L84.6Confident79Confident22 Ų2288.1 Ų88.112%0.11544%0.438CS..Hα-helixtrans-55.4-27.4-173.4-68.9172.9000113.3M4 S10 Q27 R48 E51 L52 F55M4-L6 PolarHBondContact O-N 3.04Å; L6-S10 WeakPolarHBondContact O-CB 3.32Å; L6-S10 PolarHBondContact O-N 3.46Å; L6-Q27 HydrophobicContact CD2-CG 4.17Å; L6-R48 VanDerWaalsContact CD1-NH1 3.28Å; L6-E51 HydrophobicContact CD1-CB 3.85Å; L6-L52 HydrophobicContact CD1-CD2 4.15Å; L6-L52 HydrophobicContact CD2-CD2 4Å; L6-F55 HydrophobicContact CB-CD2 4.37Å; L6-F55 HydrophobicContact CD2-CB 4.44Å; L6-F55 HydrophobicContact CD2-CD1 4.02Å; L6-F55 HydrophobicContact CD2-CD2 4.33Å; L6-F55 HydrophobicContact CD2-CE1 4.36Å; L6-F55 HydrophobicContact CD2-CG 4.01Å
7S83.2Confident79.5Confident81 Ų8185 Ų8557%0.56643%0.426SS*.Hα-helixtrans-66.5-46.7174.749.60000112.5P5 S10 Y11P5-S7 PolarHBondContact O-N 2.68Å; S7-S10 PolarHBondContact O-N 2.92Å; S7-S10 PolarHBondContact O-OG 2.85Å; S7-Y11 PolarHBondContact O-N 3.3Å; S7-Y11 VanDerWaalsContact O-N 3.11Å
8E86Confident79.9Confident99 Ų9988.9 Ų88.946%0.46345%0.447SS..Hα-helixtrans-67.2-44.6177.5-71.6172.2-165.300109.9M4 P5 S10 Y11 H12M4-E8 HydrophobicContact CG-CB 3.67Å; M4-E8 HydrophobicContact SD-CB 3.89Å; P5-E8 WeakPolarHBondContact CD-OE2 3.35Å; P5-E8 HydrophobicContact CG-CB 3.99Å; P5-E8 HydrophobicContact CG-CG 3.74Å; P5-E8 WeakPolarHBondContact CG-OE1 3.47Å; P5-E8 WeakPolarHBondContact CG-OE2 3.39Å; P5-E8 PolarHBondContact O-N 3.42Å; E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 3.4Å; E8-Y11 WeakPolarHBondContact O-CA 3.33Å; E8-Y11 VanDerWaalsContact O-CB 3.31Å; E8-Y11 WeakPolarHBondContact O-CB 3.49Å; E8-Y11 PolarHBondContact O-N 3.41Å; E8-H12 PolarHBondContact O-CD2 2.68Å; E8-H12 PolarHBondContact O-N 2.84Å
9L87.8Confident80.4Confident4 Ų488.9 Ų88.92%0.02146%0.457CS..Hα-helixtrans-58.7-40175.9-175.761.1000111.5M4 P5 Y11 H12 L13 Y20 D23 Q27 F55M4-L9 HydrophobicContact SD-CB 4.28Å; P5-L9 PolarHBondContact O-N 3.08Å; L9-Y11 VanDerWaalsContact C-N 3.3Å; L9-Y11 PolarHBondContact O-N 2.97Å; L9-H12 PolarHBondContact O-N 3.03Å; L9-L13 HydrophobicContact CD1-CD1 4.34Å; L9-L13 HydrophobicContact CD1-CG 4.35Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.34Å; L9-Y20 HydrophobicContact CD1-CD1 4.03Å; L9-Y20 HydrophobicContact CD1-CG 4.42Å; L9-D23 HydrophobicContact CD1-CB 3.84Å; L9-D23 HydrophobicContact CD2-CB 4.3Å; L9-Q27 HydrophobicContact CD2-CG 3.96Å; L9-F55 HydrophobicContact CB-CE2 4.23Å; L9-F55 HydrophobicContact CB-CZ 4.42Å; L9-F55 HydrophobicContact CD2-CE1 4.18Å; L9-F55 HydrophobicContact CD2-CE2 4.1Å; L9-F55 HydrophobicContact CD2-CZ 3.48Å; L9-F55 VanDerWaalsContact CD2-CZ 3.48Å; L9-F55 HydrophobicContact CG-CE2 4.02Å; L9-F55 HydrophobicContact CG-CZ 3.76Å
10S86Confident80.7Confident36 Ų3687.4 Ų87.425%0.25245%0.445SS..Hα-helixtrans-63.1-37.8175.677.80000112.5L6 S7 E8 T14L6-S10 WeakPolarHBondContact O-CB 3.32Å; L6-S10 PolarHBondContact O-N 3.46Å; S7-S10 PolarHBondContact O-N 2.92Å; S7-S10 PolarHBondContact O-OG 2.85Å; E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 3.4Å; S10-T14 WeakPolarHBondContact O-CG2 3.37Å; S10-T14 PolarHBondContact O-N 3.32Å; S10-T14 VanDerWaalsContact O-N 3.1Å
11Y88.2Confident81.1Confident118 Ų11887.5 Ų87.546%0.46344%0.44SS..Hα-helixtrans-67.2-46.2177-176.4-105.1000111.4S7 E8 L9 T14 R15S7-Y11 PolarHBondContact O-N 3.3Å; S7-Y11 VanDerWaalsContact O-N 3.11Å; E8-Y11 WeakPolarHBondContact O-CA 3.33Å; E8-Y11 VanDerWaalsContact O-CB 3.31Å; E8-Y11 WeakPolarHBondContact O-CB 3.49Å; E8-Y11 PolarHBondContact O-N 3.41Å; L9-Y11 VanDerWaalsContact C-N 3.3Å; L9-Y11 PolarHBondContact O-N 2.97Å; Y11-T14 PolarHBondContact O-N 3.29Å; Y11-T14 PolarHBondContact O-OG1 3.35Å; Y11-R15 VanDerWaalsContact CE1-CZ 3.43Å; Y11-R15 VanDerWaalsContact CZ-NE 3.32Å; Y11-R15 PolarHBondContact O-N 2.97Å; Y11-R15 VanDerWaalsContact OH-CZ 3.27Å; Y11-R15 PolarHBondContact OH-NE 2.98Å; Y11-R15 PolarHBondContact OH-NH2 3.06Å
12H87.5Confident83.3Confident52 Ų5281.4 Ų81.424%0.24142%0.416CS..Hα-helixtrans-63.7-42.7177.4-74.3-64.4000112.4M4 E8 L9 T14 R15 D16 Y20M4-H12 VanDerWaalsContact SD-CD2 3.53Å; E8-H12 PolarHBondContact O-CD2 2.68Å; E8-H12 PolarHBondContact O-N 2.84Å; L9-H12 PolarHBondContact O-N 3.03Å; H12-T14 PolarHBondContact O-N 3.28Å; H12-R15 PolarHBondContact O-N 2.93Å; H12-D16 PolarHBondContact O-N 2.99Å; H12-Y20 HydrophobicContact CB-CD1 4.29Å; H12-Y20 HydrophobicContact CB-CD2 3.99Å; H12-Y20 HydrophobicContact CB-CE1 3.94Å; H12-Y20 HydrophobicContact CB-CE2 3.66Å; H12-Y20 HydrophobicContact CB-CG 4.32Å; H12-Y20 AromaticContact CG-CZ 3.83Å; H12-Y20 AromaticContact ND1-CZ 3.94Å; H12-Y20 PolarHBondContact ND1-OH 3Å
13L87.3Confident85.2Confident1 Ų174.4 Ų74.41%0.00539%0.385CS..Hα-helixtrans-61.4-31.4173.7-77.2167.1000113L9 R15 P17 F55 A59 Y63L9-L13 HydrophobicContact CD1-CD1 4.34Å; L9-L13 HydrophobicContact CD1-CG 4.35Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.44Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.34Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-P17 WeakPolarHBondContact O-CG 3.47Å; L13-F55 HydrophobicContact CD1-CE2 3.8Å; L13-F55 HydrophobicContact CD1-CZ 3.45Å; L13-F55 VanDerWaalsContact CD1-CZ 3.45Å; L13-A59 HydrophobicContact CD1-CB 3.96Å; L13-Y63 HydrophobicContact CD2-CE2 4.19Å; L13-Y63 VanDerWaalsContact CD2-OH 3.32Å; L13-Y63 WeakPolarHBondContact CD2-OH 3.37Å
14T85.4Confident86.5Confident80 Ų8069.2 Ų69.249%0.49136%0.361SS..Hα-helixtrans-72.3-25.7175.660.90000113.4S10 Y11 H12 Y62S10-T14 WeakPolarHBondContact O-CG2 3.37Å; S10-T14 PolarHBondContact O-N 3.32Å; S10-T14 VanDerWaalsContact O-N 3.1Å; Y11-T14 PolarHBondContact O-N 3.29Å; Y11-T14 PolarHBondContact O-OG1 3.35Å; H12-T14 PolarHBondContact O-N 3.28Å; T14-Y62 WeakPolarHBondContact CG2-OH 3.31Å
15R87.1Confident87.4Confident153 Ų15369.4 Ų69.458%0.57736%0.361SS*.Hα-helixtrans-84.3-59.5178-71.6179.9167-157.5-2.9111.2Y11 H12 L13Y11-R15 VanDerWaalsContact CE1-CZ 3.43Å; Y11-R15 VanDerWaalsContact CZ-NE 3.32Å; Y11-R15 PolarHBondContact O-N 2.97Å; Y11-R15 VanDerWaalsContact OH-CZ 3.27Å; Y11-R15 PolarHBondContact OH-NE 2.98Å; Y11-R15 PolarHBondContact OH-NH2 3.06Å; H12-R15 PolarHBondContact O-N 2.93Å; L13-R15 VanDerWaalsContact C-N 3.31Å
16D87.8Confident87.8Confident101 Ų10170.1 Ų70.154%0.5436%0.359SS..  trans-131.786.2-173.6-66.9-42000111.2H12 L18 Y20H12-D16 PolarHBondContact O-N 2.99Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 2.96Å; D16-Y20 WeakPolarHBondContact O-CD2 3.33Å
17P87.2Confident88.1Confident35 Ų3569.3 Ų69.323%0.22735%0.354CS..THydrogen-bonded Turntrans-65.1-28.3-174.8-18.327.3000114.4L13 Y62 Y63L13-P17 WeakPolarHBondContact O-CG 3.47Å; P17-Y62 HydrophobicContact CB-CD1 4.04Å; P17-Y62 HydrophobicContact CB-CG 4.04Å; P17-Y62 HydrophobicContact CG-CD1 3.63Å; P17-Y62 HydrophobicContact CG-CE1 4.08Å; P17-Y62 HydrophobicContact CG-CG 4.12Å; P17-Y63 PolarHBondContact O-OH 3.11Å
18L86.2Confident88.4Confident155 Ų15567.1 Ų67.181%0.81234%0.336SS*.THydrogen-bonded Turntrans-72.6-37.3-173.2-65.9174.9000112.7D16 Y20D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 2.96Å; L18-Y20 PolarHBondContact O-N 2.89Å
19S88.5Confident88.7Confident90 Ų9068.6 Ų68.663%0.62934%0.343SS*.THydrogen-bonded Turntrans-69.8-33.5-175.5-56.20000113.2
20Y87.9Confident89Confident57 Ų5770.9 Ų70.922%0.22436%0.355CS..THydrogen-bonded Turntrans-97.722.9-175.1-61.9-88000113L9 H12 D16 L18 D23 F24L9-Y20 HydrophobicContact CD1-CD1 4.03Å; L9-Y20 HydrophobicContact CD1-CG 4.42Å; H12-Y20 HydrophobicContact CB-CD1 4.29Å; H12-Y20 HydrophobicContact CB-CD2 3.99Å; H12-Y20 HydrophobicContact CB-CE1 3.94Å; H12-Y20 HydrophobicContact CB-CE2 3.66Å; H12-Y20 HydrophobicContact CB-CG 4.32Å; H12-Y20 AromaticContact CG-CZ 3.83Å; H12-Y20 AromaticContact ND1-CZ 3.94Å; H12-Y20 PolarHBondContact ND1-OH 3Å; D16-Y20 WeakPolarHBondContact O-CD2 3.33Å; L18-Y20 PolarHBondContact O-N 2.89Å; Y20-D23 WeakPolarHBondContact CD1-OD2 3.49Å; Y20-D23 PolarHBondContact O-N 3.42Å; Y20-F24 PolarHBondContact O-N 3.47Å; Y20-F24 VanDerWaalsContact O-N 3.08Å
21R88.1Confident89.3Confident90 Ų9069.4 Ų69.434%0.3434%0.344SS..Hα-helixtrans-62-44.4179.4-178.3176.6176.9147.29.5112.3D23 F24 E25 Y63 E65R21-D23 VanDerWaalsContact C-N 3.32Å; R21-D23 PolarHBondContact O-N 3.08Å; R21-F24 WeakPolarHBondContact O-CB 3.27Å; R21-F24 PolarHBondContact O-N 3.24Å; R21-E25 WeakPolarHBondContact CG-OE1 3.44Å; R21-E25 IonicContact CZ-OE1 3.05Å; R21-E25 IonicContact NE-OE1 2.7Å; R21-E25 PolarHBondContact NE-OE1 3.44Å; R21-E25 IonicContact NH2-OE1 3.52Å; R21-E25 PolarHBondContact NH2-OE1 3.3Å; R21-E25 WeakPolarHBondContact O-CG 3.33Å; R21-E25 PolarHBondContact O-N 3.11Å; R21-Y63 WeakPolarHBondContact CA-OH 3.27Å; R21-Y63 HydrophobicContact CB-CE1 3.97Å; R21-Y63 HydrophobicContact CG-CD1 4.46Å; R21-Y63 HydrophobicContact CG-CE1 3.93Å; R21-Y63 PolarHBondContact N-OH 2.9Å; R21-E65 IonicContact CZ-OE2 2.83Å; R21-E65 IonicContact NH1-OE2 3.52Å; R21-E65 IonicContact NH2-OE2 3.61Å; R21-E65 PolarHBondContact NH2-OE2 2.88Å
22T90.3Very high89.5Confident94 Ų9466.6 Ų66.658%0.57734%0.342SS*.Hα-helixtrans-60.2-43.6179.350.30000111.6F24 E25 E26T22-F24 VanDerWaalsContact C-N 3.33Å; T22-F24 PolarHBondContact O-N 3.44Å; T22-E25 PolarHBondContact O-N 3.38Å; T22-E26 PolarHBondContact O-N 2.96Å
23D90.1Very high89.7Confident55 Ų5567.3 Ų67.329%0.29435%0.35SS..Hα-helixtrans-67.4-37.6-180-61.1-7.2000110.8L9 Y20 R21 Q27L9-D23 HydrophobicContact CD1-CB 3.84Å; L9-D23 HydrophobicContact CD2-CB 4.3Å; Y20-D23 WeakPolarHBondContact CD1-OD2 3.49Å; Y20-D23 PolarHBondContact O-N 3.42Å; R21-D23 VanDerWaalsContact C-N 3.32Å; R21-D23 PolarHBondContact O-N 3.08Å; D23-Q27 WeakPolarHBondContact O-CG 3.32Å; D23-Q27 PolarHBondContact O-N 2.64Å; D23-Q27 VanDerWaalsContact O-N 3.13Å
24F91Very high89.9Confident0 Ų069 Ų690%036%0.359CS..Hα-helixtrans-64.3-44.3173.9173.3-95.3000112.4Y20 R21 T22 Q27 L28 F55 L56 A59 V60 Y63Y20-F24 PolarHBondContact O-N 3.47Å; Y20-F24 VanDerWaalsContact O-N 3.08Å; R21-F24 WeakPolarHBondContact O-CB 3.27Å; R21-F24 PolarHBondContact O-N 3.24Å; T22-F24 VanDerWaalsContact C-N 3.33Å; T22-F24 PolarHBondContact O-N 3.44Å; F24-Q27 PolarHBondContact O-N 3.29Å; F24-L28 HydrophobicContact CE1-CD2 4.48Å; F24-L28 PolarHBondContact O-N 3.1Å; F24-F55 HydrophobicContact CD2-CE1 4.39Å; F24-L56 HydrophobicContact CD2-CD2 4.1Å; F24-L56 HydrophobicContact CE2-CD2 3.5Å; F24-L56 VanDerWaalsContact CE2-CD2 3.5Å; F24-L56 HydrophobicContact CZ-CD2 4.02Å; F24-A59 HydrophobicContact CD2-CB 3.81Å; F24-A59 HydrophobicContact CE2-CB 3.64Å; F24-V60 HydrophobicContact CE2-CG2 4.41Å; F24-V60 HydrophobicContact CZ-CG2 4.04Å; F24-Y63 HydrophobicContact CB-CE2 3.78Å; F24-Y63 AromaticContact CD1-CD2 3.45Å; F24-Y63 HydrophobicContact CD1-CD2 3.45Å; F24-Y63 VanDerWaalsContact CD1-CD2 3.45Å; F24-Y63 AromaticContact CD1-CE2 3.54Å; F24-Y63 HydrophobicContact CD1-CE2 3.54Å; F24-Y63 HydrophobicContact CD1-CG 4.27Å; F24-Y63 HydrophobicContact CD2-CD2 4.18Å; F24-Y63 AromaticContact CD2-CE2 3.95Å; F24-Y63 HydrophobicContact CD2-CE2 3.95Å; F24-Y63 AromaticContact CE1-CD2 3.53Å; F24-Y63 HydrophobicContact CE1-CD2 3.53Å; F24-Y63 HydrophobicContact CE1-CE2 4.1Å; F24-Y63 HydrophobicContact CE1-CG 4.26Å; F24-Y63 HydrophobicContact CE2-CD2 4.24Å; F24-Y63 HydrophobicContact CE2-CE2 4.45Å; F24-Y63 AromaticContact CG-CD2 3.79Å; F24-Y63 HydrophobicContact CG-CD2 3.79Å; F24-Y63 AromaticContact CG-CE2 3.46Å; F24-Y63 HydrophobicContact CG-CE2 3.46Å; F24-Y63 VanDerWaalsContact CG-CE2 3.46Å; F24-Y63 AromaticContact CZ-CD2 3.94Å; F24-Y63 HydrophobicContact CZ-CD2 3.94Å
25E91.5Very high90.2Very high71 Ų7167 Ų6733%0.33234%0.344SS..Hα-helixtrans-62.9-40.9177.9-73.5172.6-176.600111.4R21 T22 Q27 L28 E29 H66R21-E25 WeakPolarHBondContact CG-OE1 3.44Å; R21-E25 IonicContact CZ-OE1 3.05Å; R21-E25 IonicContact NE-OE1 2.7Å; R21-E25 PolarHBondContact NE-OE1 3.44Å; R21-E25 IonicContact NH2-OE1 3.52Å; R21-E25 PolarHBondContact NH2-OE1 3.3Å; R21-E25 WeakPolarHBondContact O-CG 3.33Å; R21-E25 PolarHBondContact O-N 3.11Å; T22-E25 PolarHBondContact O-N 3.38Å; E25-Q27 PolarHBondContact O-N 3.17Å; E25-L28 WeakPolarHBondContact O-CB 3.33Å; E25-L28 PolarHBondContact O-N 3.3Å; E25-L28 VanDerWaalsContact O-N 3.12Å; E25-E29 PolarHBondContact O-N 3.05Å; E25-H66 IonicContact OE1-NE2 3.89Å
26E91.4Very high90.2Very high78 Ų7866.6 Ų66.636%0.36435%0.348SS..Hα-helixtrans-59-44.9173.2-173.7-171.4-138.400111.6H3 T22 L28 E29 N30H3-E26 VanDerWaalsContact CE1-CD 3.49Å; H3-E26 IonicContact CE1-OE1 3.14Å; H3-E26 PolarHBondContact CE1-OE1 3.14Å; H3-E26 IonicContact CE1-OE2 3.43Å; H3-E26 PolarHBondContact CE1-OE2 3.12Å; H3-E26 IonicContact ND1-OE1 3.65Å; H3-E26 IonicContact ND1-OE2 3.12Å; H3-E26 PolarHBondContact ND1-OE2 3.43Å; H3-E26 VanDerWaalsContact ND1-OE2 3.12Å; T22-E26 PolarHBondContact O-N 2.96Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 2.94Å; E26-E29 PolarHBondContact O-N 3.43Å; E26-N30 PolarHBondContact O-N 3.41Å
27Q91.1Very high90.3Very high5 Ų565 Ų652%0.02335%0.345CS..Hα-helixtrans-67.8-30.2176.5-63-46.5-57.700112.6L6 L9 D23 F24 E25 F31 L52 F55L6-Q27 HydrophobicContact CD2-CG 4.17Å; L9-Q27 HydrophobicContact CD2-CG 3.96Å; D23-Q27 WeakPolarHBondContact O-CG 3.32Å; D23-Q27 PolarHBondContact O-N 2.64Å; D23-Q27 VanDerWaalsContact O-N 3.13Å; F24-Q27 PolarHBondContact O-N 3.29Å; E25-Q27 PolarHBondContact O-N 3.17Å; Q27-F31 WeakPolarHBondContact O-CB 3.2Å; Q27-F31 PolarHBondContact O-N 3.44Å; Q27-L52 HydrophobicContact CB-CD2 4.22Å; Q27-F55 HydrophobicContact CB-CE1 4.05Å; Q27-F55 HydrophobicContact CG-CE1 4.14Å
28L91Very high90.3Very high36 Ų3663.4 Ų63.419%0.18833%0.334CS..Hα-helixtrans-69.6-38.6175.7-173.767.1000111.6F24 E25 E26 F31 S32 L56 H66 F70F24-L28 HydrophobicContact CE1-CD2 4.48Å; F24-L28 PolarHBondContact O-N 3.1Å; E25-L28 WeakPolarHBondContact O-CB 3.33Å; E25-L28 PolarHBondContact O-N 3.3Å; E25-L28 VanDerWaalsContact O-N 3.12Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 2.94Å; L28-F31 HydrophobicContact CD1-CD1 4.47Å; L28-F31 WeakPolarHBondContact O-CB 3.48Å; L28-F31 PolarHBondContact O-N 2.83Å; L28-S32 PolarHBondContact O-N 3.25Å; L28-L56 HydrophobicContact CD1-CD1 4.1Å; L28-L56 HydrophobicContact CD1-CD2 4.33Å; L28-H66 HydrophobicContact CD2-CB 4.12Å; L28-F70 HydrophobicContact CD1-CD2 4.2Å
29E92.3Very high90.3Very high130 Ų13057.6 Ų57.661%0.60731%0.307SS*.Hα-helixtrans-67.1-42.3173-171.2178.7-178.700111.6E25 E26 F31 S32 T33E25-E29 PolarHBondContact O-N 3.05Å; E26-E29 PolarHBondContact O-N 3.43Å; E29-F31 VanDerWaalsContact C-N 3.25Å; E29-F31 PolarHBondContact O-N 2.83Å; E29-S32 PolarHBondContact O-N 2.54Å; E29-S32 VanDerWaalsContact O-N 3.13Å; E29-S32 PolarHBondContact O-OG 3.49Å; E29-T33 WeakPolarHBondContact O-CG2 3.42Å; E29-T33 PolarHBondContact O-N 2.84Å; E29-T33 PolarHBondContact O-OG1 3.34Å; E29-T33 VanDerWaalsContact O-OG1 3.12Å
30N92.6Very high90.2Very high51 Ų5158.4 Ų58.427%0.27331%0.312SS..Hα-helixtrans-59.5-39.3172.4-168.4-3.5000111.5E26 T33 L34 L52E26-N30 PolarHBondContact O-N 3.41Å; N30-T33 WeakPolarHBondContact CA-OG1 3.39Å; N30-T33 PolarHBondContact O-OG1 3.19Å; N30-L34 WeakPolarHBondContact O-CB 3.42Å; N30-L34 WeakPolarHBondContact O-CG 3.35Å; N30-L34 PolarHBondContact O-N 3.15Å; N30-L34 WeakPolarHBondContact OD1-CD1 3.37Å; N30-L52 HydrophobicContact CB-CD1 4.29Å
31F92.9Very high90.1Very high5 Ų557 Ų572%0.02231%0.313CS..Hα-helixtrans-64.7-42.2173.8169-99.3000112.8Q27 L28 E29 K35 L49 L53 L56 F70Q27-F31 WeakPolarHBondContact O-CB 3.2Å; Q27-F31 PolarHBondContact O-N 3.44Å; L28-F31 HydrophobicContact CD1-CD1 4.47Å; L28-F31 WeakPolarHBondContact O-CB 3.48Å; L28-F31 PolarHBondContact O-N 2.83Å; E29-F31 VanDerWaalsContact C-N 3.25Å; E29-F31 PolarHBondContact O-N 2.83Å; F31-K35 HydrophobicContact CE1-CD 4.46Å; F31-K35 WeakPolarHBondContact O-CB 3.4Å; F31-K35 PolarHBondContact O-N 3.3Å; F31-L49 HydrophobicContact CD2-CD1 3.54Å; F31-L49 HydrophobicContact CE2-CD1 3.68Å; F31-L53 HydrophobicContact CE2-CB 4.4Å; F31-L53 HydrophobicContact CE2-CD1 3.99Å; F31-L53 HydrophobicContact CZ-CD1 4.33Å; F31-L56 HydrophobicContact CB-CD1 3.4Å; F31-L56 HydrophobicContact CD1-CD1 3.9Å; F31-L56 HydrophobicContact CD2-CD1 3.93Å; F31-L56 HydrophobicContact CG-CD1 3.46Å; F31-L56 VanDerWaalsContact CG-CD1 3.46Å; F31-F70 HydrophobicContact CD1-CD2 4.25Å; F31-F70 HydrophobicContact CD1-CE2 4.1Å; F31-F70 AromaticContact CE1-CD2 3.81Å; F31-F70 HydrophobicContact CE1-CD2 3.81Å; F31-F70 AromaticContact CE1-CE2 3.66Å; F31-F70 HydrophobicContact CE1-CE2 3.66Å; F31-F70 HydrophobicContact CE2-CE2 4.27Å; F31-F70 HydrophobicContact CZ-CD2 4.32Å; F31-F70 AromaticContact CZ-CE2 3.76Å; F31-F70 HydrophobicContact CZ-CE2 3.76Å
32S92.1Very high89.9Confident60 Ų6054.2 Ų54.242%0.4231%0.307SS..Hα-helixtrans-65.4-42.2-178.974.20000111.7L28 E29 K35 Q36L28-S32 PolarHBondContact O-N 3.25Å; E29-S32 PolarHBondContact O-N 2.54Å; E29-S32 VanDerWaalsContact O-N 3.13Å; E29-S32 PolarHBondContact O-OG 3.49Å; S32-K35 PolarHBondContact O-N 2.98Å; S32-Q36 PolarHBondContact O-N 2.96Å
33T92.4Very high89.6Confident67 Ų6753.6 Ų53.641%0.41131%0.306SS..Hα-helixtrans-65-48176.354.80000112E29 N30 K35 Q36 S37E29-T33 WeakPolarHBondContact O-CG2 3.42Å; E29-T33 PolarHBondContact O-N 2.84Å; E29-T33 PolarHBondContact O-OG1 3.34Å; E29-T33 VanDerWaalsContact O-OG1 3.12Å; N30-T33 WeakPolarHBondContact CA-OG1 3.39Å; N30-T33 PolarHBondContact O-OG1 3.19Å; T33-K35 VanDerWaalsContact C-N 3.33Å; T33-K35 PolarHBondContact O-N 3.27Å; T33-Q36 WeakPolarHBondContact O-CB 3.42Å; T33-Q36 PolarHBondContact O-N 3.46Å; T33-Q36 VanDerWaalsContact O-N 3.15Å; T33-S37 PolarHBondContact O-N 3.33Å
34L91.9Very high89.5Confident37 Ų3756.7 Ų56.719%0.19432%0.319CS..Hα-helixtrans-64.7-36176-74.5173.8000112.5N30 Q36 S37 F38 I46 R48 L49 L52N30-L34 WeakPolarHBondContact O-CB 3.42Å; N30-L34 WeakPolarHBondContact O-CG 3.35Å; N30-L34 PolarHBondContact O-N 3.15Å; N30-L34 WeakPolarHBondContact OD1-CD1 3.37Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-S37 PolarHBondContact O-N 2.82Å; L34-F38 WeakPolarHBondContact O-CB 3.27Å; L34-F38 PolarHBondContact O-N 3.38Å; L34-I46 HydrophobicContact CD2-CG2 4.49Å; L34-R48 HydrophobicContact CD1-CB 4.3Å; L34-R48 HydrophobicContact CD1-CG 3.88Å; L34-L49 HydrophobicContact CB-CD1 4.07Å; L34-L52 HydrophobicContact CD1-CD1 3.62Å
35K89.9Confident89.4Confident38 Ų3861 Ų6117%0.16534%0.336CS..Hα-helixtrans-63.6-40172.8178.5-162.3165.9-169.40111.1F31 S32 T33 F38 S39 S73 T77F31-K35 HydrophobicContact CE1-CD 4.46Å; F31-K35 WeakPolarHBondContact O-CB 3.4Å; F31-K35 PolarHBondContact O-N 3.3Å; S32-K35 PolarHBondContact O-N 2.98Å; T33-K35 VanDerWaalsContact C-N 3.33Å; T33-K35 PolarHBondContact O-N 3.27Å; K35-F38 CarbonylContact O-C 3.56Å; K35-F38 PolarHBondContact O-N 2.87Å; K35-S39 WeakPolarHBondContact O-CB 3.44Å; K35-S39 PolarHBondContact O-N 3.12Å; K35-S39 PolarHBondContact O-OG 3.13Å; K35-S73 VanDerWaalsContact CD-OG 3.3Å; K35-S73 WeakPolarHBondContact CD-OG 3.31Å; K35-S73 WeakPolarHBondContact CE-OG 3.47Å; K35-S73 PolarHBondContact NZ-OG 3.42Å; K35-T77 VanDerWaalsContact CE-OG1 3.23Å; K35-T77 WeakPolarHBondContact CE-OG1 3.47Å
36Q88.6Confident89.3Confident143 Ų14359 Ų5967%0.66833%0.327SS*.Hα-helixtrans-65.1-42176.8-171.5175.42.600111S32 T33 L34 S39 S40S32-Q36 PolarHBondContact O-N 2.96Å; T33-Q36 WeakPolarHBondContact O-CB 3.42Å; T33-Q36 PolarHBondContact O-N 3.46Å; T33-Q36 VanDerWaalsContact O-N 3.15Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-S39 WeakPolarHBondContact O-CA 3.41Å; Q36-S39 VanDerWaalsContact O-CB 3.25Å; Q36-S39 WeakPolarHBondContact O-CB 3.45Å; Q36-S39 PolarHBondContact O-N 2.98Å; Q36-S40 PolarHBondContact O-N 2.94Å
37S89Confident89.2Confident68 Ų6858.1 Ų58.148%0.47633%0.329SS..Hα-helixtrans-59.6-47.6171.4178.20000112.3T33 L34 S39 S40 A41T33-S37 PolarHBondContact O-N 3.33Å; L34-S37 PolarHBondContact O-N 2.82Å; S37-S39 PolarHBondContact O-N 3.33Å; S37-S40 WeakPolarHBondContact O-CB 3.41Å; S37-S40 PolarHBondContact O-N 3.43Å; S37-A41 PolarHBondContact O-N 3.26Å
38F88.2Confident89.2Confident1 Ų162 Ų620%0.00434%0.344CS..Hα-helixtrans-61.5-28.1174-175.7-103.5000112.4L34 K35 S40 A41 P42 Q44 I46 L49 T77 M85 M89 F93L34-F38 WeakPolarHBondContact O-CB 3.27Å; L34-F38 PolarHBondContact O-N 3.38Å; K35-F38 CarbonylContact O-C 3.56Å; K35-F38 PolarHBondContact O-N 2.87Å; F38-S40 PolarHBondContact O-N 3.12Å; F38-A41 CarbonylContact O-C 3.56Å; F38-A41 PolarHBondContact O-N 3.13Å; F38-P42 WeakPolarHBondContact CE2-O 3.5Å; F38-P42 HydrophobicContact CZ-CB 4.36Å; F38-P42 WeakPolarHBondContact O-CA 3.33Å; F38-Q44 WeakPolarHBondContact CE2-O 3.18Å; F38-I46 HydrophobicContact CB-CD1 3.97Å; F38-I46 HydrophobicContact CD2-CD1 3.98Å; F38-I46 HydrophobicContact CD2-CG1 4.48Å; F38-I46 HydrophobicContact CG-CD1 4.47Å; F38-L49 HydrophobicContact CB-CD2 3.73Å; F38-L49 HydrophobicContact CD1-CD2 4.41Å; F38-L49 HydrophobicContact CD2-CD2 4.27Å; F38-L49 HydrophobicContact CG-CD2 3.87Å; F38-T77 HydrophobicContact CD1-CG2 4.46Å; F38-T77 HydrophobicContact CE1-CG2 4.3Å; F38-M85 HydrophobicContact CE1-CE 3.74Å; F38-M85 HydrophobicContact CE1-CG 4.1Å; F38-M85 HydrophobicContact CE1-SD 4.33Å; F38-M85 HydrophobicContact CZ-CB 4.42Å; F38-M85 HydrophobicContact CZ-CE 3.78Å; F38-M85 HydrophobicContact CZ-CG 3.89Å; F38-M89 HydrophobicContact CE2-CB 4.08Å; F38-M89 HydrophobicContact CE2-CG 3.86Å; F38-M89 HydrophobicContact CZ-CB 4Å; F38-M89 HydrophobicContact CZ-CG 4.29Å; F38-F93 HydrophobicContact CD1-CE2 4.19Å; F38-F93 HydrophobicContact CD1-CZ 4.45Å; F38-F93 AromaticContact CE1-CE2 3.88Å; F38-F93 HydrophobicContact CE1-CE2 3.88Å; F38-F93 HydrophobicContact CZ-CE2 4.39Å
39S85.3Confident89.3Confident34 Ų3460.3 Ų60.324%0.23834%0.335CS..Hα-helixtrans-70.7-20.9174.6-63.20000112.2K35 Q36 S37 R81K35-S39 WeakPolarHBondContact O-CB 3.44Å; K35-S39 PolarHBondContact O-N 3.12Å; K35-S39 PolarHBondContact O-OG 3.13Å; Q36-S39 WeakPolarHBondContact O-CA 3.41Å; Q36-S39 VanDerWaalsContact O-CB 3.25Å; Q36-S39 WeakPolarHBondContact O-CB 3.45Å; Q36-S39 PolarHBondContact O-N 2.98Å; S37-S39 PolarHBondContact O-N 3.33Å; S39-R81 PolarHBondContact O-NH1 3.01Å; S39-R81 PolarHBondContact O-NH2 2.85Å
40S86Confident89.2Confident106 Ų10655.7 Ų55.774%0.74131%0.313SS*.Hα-helixtrans-83-40.9171.2-58.30000111.6Q36 S37 F38Q36-S40 PolarHBondContact O-N 2.94Å; S37-S40 WeakPolarHBondContact O-CB 3.41Å; S37-S40 PolarHBondContact O-N 3.43Å; F38-S40 PolarHBondContact O-N 3.12Å
41A86.2Confident89.2Confident29 Ų2957.7 Ų57.724%0.2432%0.321CS..  trans-127.479.3-176.300000112.8S37 F38 S43 Q44S37-A41 PolarHBondContact O-N 3.26Å; F38-A41 CarbonylContact O-C 3.56Å; F38-A41 PolarHBondContact O-N 3.13Å; A41-S43 PolarHBondContact O-N 3.44Å; A41-Q44 HydrophobicContact CB-CG 4.33Å; A41-Q44 PolarHBondContact O-N 3.36Å
42P83.8Confident89.2Confident31 Ų3157.4 Ų57.420%0.20132%0.32CS..THydrogen-bonded Turntrans-70.9-14.7-174.627.9-35000114.5F38 M85 H86F38-P42 WeakPolarHBondContact CE2-O 3.5Å; F38-P42 HydrophobicContact CZ-CB 4.36Å; F38-P42 WeakPolarHBondContact O-CA 3.33Å; P42-M85 HydrophobicContact CB-CG 4.34Å; P42-M85 VanDerWaalsContact O-CA 3.31Å; P42-M85 WeakPolarHBondContact O-CA 3.45Å; P42-H86 PolarHBondContact O-N 3.25Å; P42-H86 VanDerWaalsContact O-N 3.1Å
43S84.6Confident89.2Confident81 Ų8154.6 Ų54.657%0.56630%0.3SS*.THydrogen-bonded Turntrans-77.8-19.3-179.852.40000113.4A41A41-S43 PolarHBondContact O-N 3.44Å
44Q87.2Confident89Confident119 Ų11953.3 Ų53.356%0.55629%0.293SS*.SBendtrans-83.5142.2-177.8-66.1-177.1-300111.5F38 A41F38-Q44 WeakPolarHBondContact CE2-O 3.18Å; A41-Q44 HydrophobicContact CB-CG 4.33Å; A41-Q44 PolarHBondContact O-N 3.36Å
45Y89Confident89Confident92 Ų9252 Ų5236%0.36129%0.286SS..  trans-85.3127170.3177.3-112000109.8E50 H86 E88 M89Y45-E50 VanDerWaalsContact CE2-OE2 3.3Å; Y45-E50 WeakPolarHBondContact CE2-OE2 3.44Å; Y45-E50 PolarHBondContact OH-OE2 2.95Å; Y45-H86 AromaticContact CD2-ND1 3.92Å; Y45-E88 HydrophobicContact CD2-CB 3.84Å; Y45-E88 HydrophobicContact CE2-CB 3.78Å; Y45-M89 HydrophobicContact CD2-CG 3.81Å; Y45-M89 HydrophobicContact CD2-SD 3.58Å; Y45-M89 VanDerWaalsContact CD2-SD 3.58Å; Y45-M89 HydrophobicContact CE2-CG 4.49Å; Y45-M89 HydrophobicContact CE2-SD 3.77Å
46I89.7Confident89.1Confident29 Ų2950.2 Ų50.215%0.14928%0.278CS..  trans-120.298.8178.5-54.4177000107.7L34 F38 R48 L49 E50L34-I46 HydrophobicContact CD2-CG2 4.49Å; F38-I46 HydrophobicContact CB-CD1 3.97Å; F38-I46 HydrophobicContact CD2-CD1 3.98Å; F38-I46 HydrophobicContact CD2-CG1 4.48Å; F38-I46 HydrophobicContact CG-CD1 4.47Å; I46-R48 PolarHBondContact O-N 3.48Å; I46-L49 HydrophobicContact CB-CB 3.93Å; I46-L49 HydrophobicContact CG2-CB 3.73Å; I46-L49 WeakPolarHBondContact O-CB 3.2Å; I46-L49 PolarHBondContact O-N 3.26Å; I46-L49 VanDerWaalsContact O-N 3.16Å; I46-E50 PolarHBondContact O-N 3.26Å
47S90.7Very high89.2Confident59 Ų5943.4 Ų43.441%0.41325%0.247SC..Hα-helixtrans-56.7-46-177.1176.40000112.4L49 E50 E51S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.43Å; S47-E50 WeakPolarHBondContact O-CB 3.28Å; S47-E50 PolarHBondContact O-N 2.83Å; S47-E50 VanDerWaalsContact O-N 3.08Å; S47-E51 PolarHBondContact O-N 3.33Å; S47-E51 VanDerWaalsContact O-N 3.11Å
48R91.1Very high89.2Confident87 Ų8744.3 Ų44.333%0.32824%0.244SC..Hα-helixtrans-60.1-35.3179.3-17457.9179.4179.6-0.9113.3L6 L34 I46 E51 L52L6-R48 VanDerWaalsContact CD1-NH1 3.28Å; L34-R48 HydrophobicContact CD1-CB 4.3Å; L34-R48 HydrophobicContact CD1-CG 3.88Å; I46-R48 PolarHBondContact O-N 3.48Å; R48-E51 IonicContact CZ-OE2 3.96Å; R48-E51 IonicContact NH1-OE2 2.97Å; R48-E51 PolarHBondContact NH1-OE2 2.87Å; R48-E51 PolarHBondContact O-N 2.79Å; R48-L52 HydrophobicContact CG-CD1 4.17Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 WeakPolarHBondContact O-CB 3.39Å; R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.14Å; R48-L52 PolarHBondContact O-N 3.12Å
49L91.6Very high89.2Confident0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-68.9-37178.2-179.759.5000111.2F31 L34 F38 I46 S47 L53 M89 F93F31-L49 HydrophobicContact CD2-CD1 3.54Å; F31-L49 HydrophobicContact CE2-CD1 3.68Å; L34-L49 HydrophobicContact CB-CD1 4.07Å; F38-L49 HydrophobicContact CB-CD2 3.73Å; F38-L49 HydrophobicContact CD1-CD2 4.41Å; F38-L49 HydrophobicContact CD2-CD2 4.27Å; F38-L49 HydrophobicContact CG-CD2 3.87Å; I46-L49 HydrophobicContact CB-CB 3.93Å; I46-L49 HydrophobicContact CG2-CB 3.73Å; I46-L49 WeakPolarHBondContact O-CB 3.2Å; I46-L49 PolarHBondContact O-N 3.26Å; I46-L49 VanDerWaalsContact O-N 3.16Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.43Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3.3Å; L49-M89 HydrophobicContact CB-CE 3.98Å; L49-M89 HydrophobicContact CD2-CE 3.62Å; L49-M89 HydrophobicContact CG-CE 3.75Å; L49-F93 HydrophobicContact CD2-CE2 4.44Å; L49-F93 HydrophobicContact CD2-CZ 4.24Å
50E91Very high89.3Confident33 Ų3342.9 Ų42.915%0.15423%0.234CC..Hα-helixtrans-65.5-42.3174.1-175178.1-173.200111.9Y45 I46 S47 L53 S54 M89 R95Y45-E50 VanDerWaalsContact CE2-OE2 3.3Å; Y45-E50 WeakPolarHBondContact CE2-OE2 3.44Å; Y45-E50 PolarHBondContact OH-OE2 2.95Å; I46-E50 PolarHBondContact O-N 3.26Å; S47-E50 WeakPolarHBondContact O-CB 3.28Å; S47-E50 PolarHBondContact O-N 2.83Å; S47-E50 VanDerWaalsContact O-N 3.08Å; E50-L53 PolarHBondContact O-N 2.79Å; E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.49Å; E50-M89 HydrophobicContact CB-SD 4.47Å; E50-R95 IonicContact OE1-CZ 3.74Å; E50-R95 IonicContact OE1-NH1 2.76Å; E50-R95 PolarHBondContact OE1-NH1 3.22Å; E50-R95 IonicContact OE1-NH2 2.94Å
51E92Very high89.3Confident92 Ų9246.1 Ų46.143%0.4323%0.23SC..Hα-helixtrans-60.4-51.1175.5-67.7179.6172.100111.8L6 S47 R48 L53 S54 F55L6-E51 HydrophobicContact CD1-CB 3.85Å; S47-E51 PolarHBondContact O-N 3.33Å; S47-E51 VanDerWaalsContact O-N 3.11Å; R48-E51 IonicContact CZ-OE2 3.96Å; R48-E51 IonicContact NH1-OE2 2.97Å; R48-E51 PolarHBondContact NH1-OE2 2.87Å; R48-E51 PolarHBondContact O-N 2.79Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.49Å; E51-S54 WeakPolarHBondContact O-CB 3.49Å; E51-S54 PolarHBondContact O-N 2.93Å; E51-S54 VanDerWaalsContact O-N 3.16Å; E51-F55 WeakPolarHBondContact O-CB 3.36Å; E51-F55 PolarHBondContact O-N 2.98Å
52L92.1Very high89.3Confident0 Ų048.8 Ų48.80%023%0.234CC..Hα-helixtrans-61-44178.2-73.7172.7000111.4L6 Q27 N30 L34 R48 S54 F55 L56L6-L52 HydrophobicContact CD1-CD2 4.15Å; L6-L52 HydrophobicContact CD2-CD2 4Å; Q27-L52 HydrophobicContact CB-CD2 4.22Å; N30-L52 HydrophobicContact CB-CD1 4.29Å; L34-L52 HydrophobicContact CD1-CD1 3.62Å; R48-L52 HydrophobicContact CG-CD1 4.17Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 WeakPolarHBondContact O-CB 3.39Å; R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.14Å; R48-L52 PolarHBondContact O-N 3.12Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.03Å; L52-F55 PolarHBondContact O-N 3.26Å; L52-L56 VanDerWaalsContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CB 2.93Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.28Å; L52-L56 PolarHBondContact O-N 2.8Å
53L92.2Very high89.6Confident1 Ų147.9 Ų47.91%0.00523%0.227CC..Hα-helixtrans-62.2-38.8177.2178.671.5000111.6F31 L49 E50 E51 S57 F70 V74 G92 F93 A96F31-L53 HydrophobicContact CE2-CB 4.4Å; F31-L53 HydrophobicContact CE2-CD1 3.99Å; F31-L53 HydrophobicContact CZ-CD1 4.33Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3.3Å; E50-L53 PolarHBondContact O-N 2.79Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.49Å; L53-S57 VanDerWaalsContact O-CB 3.27Å; L53-S57 WeakPolarHBondContact O-CB 3.44Å; L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 2.87Å; L53-F70 HydrophobicContact CD1-CE2 4.49Å; L53-F70 HydrophobicContact CD1-CZ 3.98Å; L53-V74 HydrophobicContact CD1-CG2 3.96Å; L53-G92 WeakPolarHBondContact CD2-O 3.47Å; L53-F93 HydrophobicContact CD1-CD1 4.07Å; L53-F93 HydrophobicContact CD1-CE1 4.15Å; L53-F93 HydrophobicContact CD2-CB 4.33Å; L53-F93 HydrophobicContact CD2-CD1 3.84Å; L53-F93 HydrophobicContact CD2-CD2 4.34Å; L53-F93 HydrophobicContact CD2-CE1 4.21Å; L53-F93 HydrophobicContact CD2-CG 3.91Å; L53-A96 HydrophobicContact CD1-CB 3.51Å; L53-A96 HydrophobicContact CD2-CB 3.93Å; L53-A96 HydrophobicContact CG-CB 3.57Å
54S90.1Very high89.6Confident39 Ų3948.7 Ų48.727%0.27323%0.23SC..Hα-helixtrans-64-47.6174.7-175.80000111.3E50 E51 L52 S57 Q58 R99E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.49Å; E51-S54 WeakPolarHBondContact O-CB 3.49Å; E51-S54 PolarHBondContact O-N 2.93Å; E51-S54 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.03Å; S54-S57 PolarHBondContact O-OG 3.16Å; S54-Q58 WeakPolarHBondContact O-CG 3.35Å; S54-Q58 PolarHBondContact O-N 2.94Å; S54-R99 VanDerWaalsContact CA-NH1 3.3Å; S54-R99 PolarHBondContact O-NH1 3.12Å; S54-R99 PolarHBondContact OG-NH1 2.92Å
55F91.9Very high89.7Confident10 Ų1049 Ų494%0.04423%0.232CC..Hα-helixtrans-62.5-52.9177.8168.3-101.3000112.2L6 L9 L13 F24 Q27 E51 L52 S57 Q58 A59L6-F55 HydrophobicContact CB-CD2 4.37Å; L6-F55 HydrophobicContact CD2-CB 4.44Å; L6-F55 HydrophobicContact CD2-CD1 4.02Å; L6-F55 HydrophobicContact CD2-CD2 4.33Å; L6-F55 HydrophobicContact CD2-CE1 4.36Å; L6-F55 HydrophobicContact CD2-CG 4.01Å; L9-F55 HydrophobicContact CB-CE2 4.23Å; L9-F55 HydrophobicContact CB-CZ 4.42Å; L9-F55 HydrophobicContact CD2-CE1 4.18Å; L9-F55 HydrophobicContact CD2-CE2 4.1Å; L9-F55 HydrophobicContact CD2-CZ 3.48Å; L9-F55 VanDerWaalsContact CD2-CZ 3.48Å; L9-F55 HydrophobicContact CG-CE2 4.02Å; L9-F55 HydrophobicContact CG-CZ 3.76Å; L13-F55 HydrophobicContact CD1-CE2 3.8Å; L13-F55 HydrophobicContact CD1-CZ 3.45Å; L13-F55 VanDerWaalsContact CD1-CZ 3.45Å; F24-F55 HydrophobicContact CD2-CE1 4.39Å; Q27-F55 HydrophobicContact CB-CE1 4.05Å; Q27-F55 HydrophobicContact CG-CE1 4.14Å; E51-F55 WeakPolarHBondContact O-CB 3.36Å; E51-F55 PolarHBondContact O-N 2.98Å; L52-F55 PolarHBondContact O-N 3.26Å; F55-S57 PolarHBondContact O-N 2.65Å; F55-Q58 CarbonylContact O-C 3.53Å; F55-Q58 WeakPolarHBondContact O-CA 3.36Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.41Å; F55-Q58 PolarHBondContact O-N 2.85Å; F55-A59 HydrophobicContact CZ-CB 4.32Å; F55-A59 PolarHBondContact O-N 2.99Å
56L92Very high89.7Confident0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-61.8-41.5-179.4-69.1174.5000111.3F24 L28 F31 L52 Q58 A59 V60 F70F24-L56 HydrophobicContact CD2-CD2 4.1Å; F24-L56 HydrophobicContact CE2-CD2 3.5Å; F24-L56 VanDerWaalsContact CE2-CD2 3.5Å; F24-L56 HydrophobicContact CZ-CD2 4.02Å; L28-L56 HydrophobicContact CD1-CD1 4.1Å; L28-L56 HydrophobicContact CD1-CD2 4.33Å; F31-L56 HydrophobicContact CB-CD1 3.4Å; F31-L56 HydrophobicContact CD1-CD1 3.9Å; F31-L56 HydrophobicContact CD2-CD1 3.93Å; F31-L56 HydrophobicContact CG-CD1 3.46Å; F31-L56 VanDerWaalsContact CG-CD1 3.46Å; L52-L56 VanDerWaalsContact O-CB 3.31Å; L52-L56 WeakPolarHBondContact O-CB 2.93Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.28Å; L52-L56 PolarHBondContact O-N 2.8Å; L56-Q58 PolarHBondContact O-N 3.38Å; L56-A59 PolarHBondContact O-N 3.05Å; L56-A59 VanDerWaalsContact O-N 3.17Å; L56-V60 HydrophobicContact CB-CG2 4.35Å; L56-V60 VanDerWaalsContact O-CB 3.24Å; L56-V60 WeakPolarHBondContact O-CB 3.37Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 2.76Å; L56-F70 HydrophobicContact CB-CD2 4.41Å; L56-F70 HydrophobicContact CB-CE1 4.41Å; L56-F70 HydrophobicContact CB-CE2 3.62Å; L56-F70 HydrophobicContact CB-CZ 3.6Å; L56-F70 HydrophobicContact CD1-CD2 4.32Å; L56-F70 HydrophobicContact CD1-CE2 3.73Å; L56-F70 HydrophobicContact CG-CE2 4.32Å
57S89.1Confident89.6Confident0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-58-23.9173.973.60000113.3L53 S54 F55 R99 K103L53-S57 VanDerWaalsContact O-CB 3.27Å; L53-S57 WeakPolarHBondContact O-CB 3.44Å; L53-S57 PolarHBondContact O-N 2.83Å; L53-S57 PolarHBondContact O-OG 2.87Å; S54-S57 PolarHBondContact O-OG 3.16Å; F55-S57 PolarHBondContact O-N 2.65Å; S57-R99 WeakPolarHBondContact OG-CD 3.47Å; S57-R99 PolarHBondContact OG-NH1 2.75Å; S57-K103 PolarHBondContact O-NZ 3.31Å
58Q88.8Confident89.5Confident88 Ų8846 Ų4641%0.41123%0.225SC..Hα-helixtrans-85.4-47.6174.8-66.2-179.234.200112.3S54 F55 L56 K103S54-Q58 WeakPolarHBondContact O-CG 3.35Å; S54-Q58 PolarHBondContact O-N 2.94Å; F55-Q58 CarbonylContact O-C 3.53Å; F55-Q58 WeakPolarHBondContact O-CA 3.36Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.41Å; F55-Q58 PolarHBondContact O-N 2.85Å; L56-Q58 PolarHBondContact O-N 3.38Å; Q58-K103 VanDerWaalsContact C-NZ 3.27Å; Q58-K103 PolarHBondContact O-NZ 3.22Å
59A89.8Confident89.4Confident4 Ų447.3 Ų47.33%0.03324%0.239CC..Hα-helixtrans-78.1-27.4-174.200000114.6L13 F24 F55 L56 R61 Y62L13-A59 HydrophobicContact CD1-CB 3.96Å; F24-A59 HydrophobicContact CD2-CB 3.81Å; F24-A59 HydrophobicContact CE2-CB 3.64Å; F55-A59 HydrophobicContact CZ-CB 4.32Å; F55-A59 PolarHBondContact O-N 2.99Å; L56-A59 PolarHBondContact O-N 3.05Å; L56-A59 VanDerWaalsContact O-N 3.17Å; A59-R61 PolarHBondContact O-N 2.97Å; A59-Y62 WeakPolarHBondContact O-CD2 3.05Å; A59-Y62 PolarHBondContact O-N 3.15Å
60V87.1Confident89.4Confident0 Ų047.5 Ų47.50%024%0.24CC..G310 helixtrans-56.3-20.1-173.8162.50000114.4F24 L56 Y62 Y63 V67 F70 L100 L105F24-V60 HydrophobicContact CE2-CG2 4.41Å; F24-V60 HydrophobicContact CZ-CG2 4.04Å; L56-V60 HydrophobicContact CB-CG2 4.35Å; L56-V60 VanDerWaalsContact O-CB 3.24Å; L56-V60 WeakPolarHBondContact O-CB 3.37Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 2.76Å; V60-Y62 PolarHBondContact O-N 3.42Å; V60-Y63 PolarHBondContact O-N 3.38Å; V60-V67 HydrophobicContact CG1-CB 4.09Å; V60-V67 HydrophobicContact CG1-CG1 4.33Å; V60-V67 HydrophobicContact CG1-CG2 3.6Å; V60-V67 VanDerWaalsContact O-CG2 3.29Å; V60-V67 WeakPolarHBondContact O-CG2 3.49Å; V60-F70 HydrophobicContact CB-CD1 4.47Å; V60-F70 HydrophobicContact CG1-CD1 4.3Å; V60-F70 HydrophobicContact CG2-CB 4.33Å; V60-F70 HydrophobicContact CG2-CD1 3.74Å; V60-F70 HydrophobicContact CG2-CE1 4.14Å; V60-F70 HydrophobicContact CG2-CG 3.95Å; V60-L100 HydrophobicContact CG1-CD2 4.4Å; V60-L105 HydrophobicContact CG1-CD1 4.23Å
61R85.7Confident89.4Confident174 Ų17446.6 Ų46.666%0.65724%0.237SC*.G310 helixtrans-61.5-32.4175177.1179.2174.5-176.9-1.1112.9A59 Y63 K103A59-R61 PolarHBondContact O-N 2.97Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; R61-K103 HydrophobicContact CB-CD 4.45Å
62Y86.4Confident89.3Confident86 Ų8646.2 Ų46.234%0.33724%0.241SC..G310 helixtrans-76.9-21.8-172.7-59.7-67.4000112.9T14 P17 A59 V60T14-Y62 WeakPolarHBondContact CG2-OH 3.31Å; P17-Y62 HydrophobicContact CB-CD1 4.04Å; P17-Y62 HydrophobicContact CB-CG 4.04Å; P17-Y62 HydrophobicContact CG-CD1 3.63Å; P17-Y62 HydrophobicContact CG-CE1 4.08Å; P17-Y62 HydrophobicContact CG-CG 4.12Å; A59-Y62 WeakPolarHBondContact O-CD2 3.05Å; A59-Y62 PolarHBondContact O-N 3.15Å; V60-Y62 PolarHBondContact O-N 3.42Å
63Y88.7Confident89.2Confident11 Ų1147 Ų474%0.04325%0.246CC..  trans-123.291-177.8-51.5-73.1000110.4L13 P17 R21 F24 V60 R61 E65 H66 V67L13-Y63 HydrophobicContact CD2-CE2 4.19Å; L13-Y63 VanDerWaalsContact CD2-OH 3.32Å; L13-Y63 WeakPolarHBondContact CD2-OH 3.37Å; P17-Y63 PolarHBondContact O-OH 3.11Å; R21-Y63 WeakPolarHBondContact CA-OH 3.27Å; R21-Y63 HydrophobicContact CB-CE1 3.97Å; R21-Y63 HydrophobicContact CG-CD1 4.46Å; R21-Y63 HydrophobicContact CG-CE1 3.93Å; R21-Y63 PolarHBondContact N-OH 2.9Å; F24-Y63 HydrophobicContact CB-CE2 3.78Å; F24-Y63 AromaticContact CD1-CD2 3.45Å; F24-Y63 HydrophobicContact CD1-CD2 3.45Å; F24-Y63 VanDerWaalsContact CD1-CD2 3.45Å; F24-Y63 AromaticContact CD1-CE2 3.54Å; F24-Y63 HydrophobicContact CD1-CE2 3.54Å; F24-Y63 HydrophobicContact CD1-CG 4.27Å; F24-Y63 HydrophobicContact CD2-CD2 4.18Å; F24-Y63 AromaticContact CD2-CE2 3.95Å; F24-Y63 HydrophobicContact CD2-CE2 3.95Å; F24-Y63 AromaticContact CE1-CD2 3.53Å; F24-Y63 HydrophobicContact CE1-CD2 3.53Å; F24-Y63 HydrophobicContact CE1-CE2 4.1Å; F24-Y63 HydrophobicContact CE1-CG 4.26Å; F24-Y63 HydrophobicContact CE2-CD2 4.24Å; F24-Y63 HydrophobicContact CE2-CE2 4.45Å; F24-Y63 AromaticContact CG-CD2 3.79Å; F24-Y63 HydrophobicContact CG-CD2 3.79Å; F24-Y63 AromaticContact CG-CE2 3.46Å; F24-Y63 HydrophobicContact CG-CE2 3.46Å; F24-Y63 VanDerWaalsContact CG-CE2 3.46Å; F24-Y63 AromaticContact CZ-CD2 3.94Å; F24-Y63 HydrophobicContact CZ-CD2 3.94Å; V60-Y63 PolarHBondContact O-N 3.38Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; Y63-E65 PolarHBondContact O-N 3.45Å; Y63-H66 PolarHBondContact O-N 3.46Å; Y63-V67 WeakPolarHBondContact O-CG2 3.15Å
64P85.6Confident89.1Confident99 Ų9947 Ų4764%0.64325%0.246SC*.G310 helixtrans-61-27.6-175.423.4-33000113.8H66 V67P64-H66 PolarHBondContact O-N 3.08Å; P64-V67 WeakPolarHBondContact O-CB 3.31Å; P64-V67 PolarHBondContact O-N 2.91Å
65E89.2Confident89.1Confident126 Ų12646.4 Ų46.459%0.58924%0.24SC*.G310 helixtrans-57.2-45.2179.4-65.3170.2-16800112.1R21 Y63R21-E65 IonicContact CZ-OE2 2.83Å; R21-E65 IonicContact NH1-OE2 3.52Å; R21-E65 IonicContact NH2-OE2 3.61Å; R21-E65 PolarHBondContact NH2-OE2 2.88Å; Y63-E65 PolarHBondContact O-N 3.45Å
66H88.4Confident88.9Confident37 Ų3751.7 Ų51.717%0.17127%0.265CS..G310 helixtrans-88.2-3.6-175.9-57.4-62000114E25 L28 Y63 P64 A68 F70E25-H66 IonicContact OE1-NE2 3.89Å; L28-H66 HydrophobicContact CD2-CB 4.12Å; Y63-H66 PolarHBondContact O-N 3.46Å; P64-H66 PolarHBondContact O-N 3.08Å; H66-A68 PolarHBondContact O-N 3.24Å; H66-F70 VanDerWaalsContact O-CB 3.3Å; H66-F70 WeakPolarHBondContact O-CB 3.27Å; H66-F70 PolarHBondContact O-N 2.85Å
67V88.1Confident88.7Confident20 Ų2051.9 Ų51.912%0.12127%0.266CS..Hα-helixtrans-63.3-44.8-177.2174.70000111.3V60 Y63 P64 S71 L105V60-V67 HydrophobicContact CG1-CB 4.09Å; V60-V67 HydrophobicContact CG1-CG1 4.33Å; V60-V67 HydrophobicContact CG1-CG2 3.6Å; V60-V67 VanDerWaalsContact O-CG2 3.29Å; V60-V67 WeakPolarHBondContact O-CG2 3.49Å; Y63-V67 WeakPolarHBondContact O-CG2 3.15Å; P64-V67 WeakPolarHBondContact O-CB 3.31Å; P64-V67 PolarHBondContact O-N 2.91Å; V67-S71 WeakPolarHBondContact O-CB 3.44Å; V67-S71 PolarHBondContact O-N 3.4Å; V67-S71 PolarHBondContact O-OG 2.95Å; V67-L105 HydrophobicContact CG1-CB 3.99Å; V67-L105 HydrophobicContact CG1-CD1 4.08Å; V67-L105 HydrophobicContact CG1-CD2 4.03Å; V67-L105 HydrophobicContact CG1-CG 4.24Å; V67-L105 HydrophobicContact CG2-CD2 4.41Å
68A88.1Confident88.6Confident59 Ų5952 Ų5249%0.48827%0.266SS..Hα-helixtrans-64.5-45.4-175.800000111.2H66 S71 T72H66-A68 PolarHBondContact O-N 3.24Å; A68-S71 PolarHBondContact O-OG 2.82Å; A68-T72 VanDerWaalsContact O-CB 3.29Å; A68-T72 WeakPolarHBondContact O-CB 3.31Å; A68-T72 PolarHBondContact O-N 3.2Å; A68-T72 PolarHBondContact O-OG1 3.25Å
69D90.3Very high88.4Confident115 Ų11551 Ų5162%0.61526%0.263SS*.Hα-helixtrans-67.5-46.8-179.8-64.5-20.4000111.5S73D69-S73 WeakPolarHBondContact O-CB 3.19Å; D69-S73 PolarHBondContact O-N 2.88Å
70F91.4Very high88.1Confident4 Ų454.4 Ų54.42%0.01829%0.287CS..Hα-helixtrans-64.2-44.6179.2-178.5-101.3000111.8L28 F31 L53 L56 V60 H66 S73 V74 L100L28-F70 HydrophobicContact CD1-CD2 4.2Å; F31-F70 HydrophobicContact CD1-CD2 4.25Å; F31-F70 HydrophobicContact CD1-CE2 4.1Å; F31-F70 AromaticContact CE1-CD2 3.81Å; F31-F70 HydrophobicContact CE1-CD2 3.81Å; F31-F70 AromaticContact CE1-CE2 3.66Å; F31-F70 HydrophobicContact CE1-CE2 3.66Å; F31-F70 HydrophobicContact CE2-CE2 4.27Å; F31-F70 HydrophobicContact CZ-CD2 4.32Å; F31-F70 AromaticContact CZ-CE2 3.76Å; F31-F70 HydrophobicContact CZ-CE2 3.76Å; L53-F70 HydrophobicContact CD1-CE2 4.49Å; L53-F70 HydrophobicContact CD1-CZ 3.98Å; L56-F70 HydrophobicContact CB-CD2 4.41Å; L56-F70 HydrophobicContact CB-CE1 4.41Å; L56-F70 HydrophobicContact CB-CE2 3.62Å; L56-F70 HydrophobicContact CB-CZ 3.6Å; L56-F70 HydrophobicContact CD1-CD2 4.32Å; L56-F70 HydrophobicContact CD1-CE2 3.73Å; L56-F70 HydrophobicContact CG-CE2 4.32Å; V60-F70 HydrophobicContact CB-CD1 4.47Å; V60-F70 HydrophobicContact CG1-CD1 4.3Å; V60-F70 HydrophobicContact CG2-CB 4.33Å; V60-F70 HydrophobicContact CG2-CD1 3.74Å; V60-F70 HydrophobicContact CG2-CE1 4.14Å; V60-F70 HydrophobicContact CG2-CG 3.95Å; H66-F70 VanDerWaalsContact O-CB 3.3Å; H66-F70 WeakPolarHBondContact O-CB 3.27Å; H66-F70 PolarHBondContact O-N 2.85Å; F70-S73 WeakPolarHBondContact O-CB 3.35Å; F70-S73 PolarHBondContact O-N 3.39Å; F70-V74 HydrophobicContact CD1-CG2 4.34Å; F70-V74 HydrophobicContact CE1-CG2 3.95Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.9Å; F70-V74 WeakPolarHBondContact O-CG2 2.98Å; F70-V74 PolarHBondContact O-N 3.05Å; F70-L100 HydrophobicContact CD1-CD1 4.22Å; F70-L100 HydrophobicContact CD1-CD2 4.12Å; F70-L100 HydrophobicContact CE1-CD1 4.14Å; F70-L100 HydrophobicContact CE1-CD2 4.13Å; F70-L100 HydrophobicContact CE1-CG 4.49Å
71S89.5Confident87.4Confident13 Ų1357.9 Ų57.99%0.09130%0.3CS..Hα-helixtrans-64.6-45179.461.20000112V67 A68 S73 V74 I75V67-S71 WeakPolarHBondContact O-CB 3.44Å; V67-S71 PolarHBondContact O-N 3.4Å; V67-S71 PolarHBondContact O-OG 2.95Å; A68-S71 PolarHBondContact O-OG 2.82Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.16Å; S71-V74 PolarHBondContact O-N 3.22Å; S71-I75 WeakPolarHBondContact O-CB 3.26Å; S71-I75 WeakPolarHBondContact O-CD1 3.45Å; S71-I75 WeakPolarHBondContact O-CG1 3.5Å; S71-I75 PolarHBondContact O-N 2.76Å
72T90.7Very high86.6Confident84 Ų8450 Ų5052%0.51527%0.272SS..Hα-helixtrans-62.1-42.7176-56.90000111A68 V74 I75 Q76A68-T72 VanDerWaalsContact O-CB 3.29Å; A68-T72 WeakPolarHBondContact O-CB 3.31Å; A68-T72 PolarHBondContact O-N 3.2Å; A68-T72 PolarHBondContact O-OG1 3.25Å; T72-V74 PolarHBondContact O-N 3.45Å; T72-I75 PolarHBondContact O-N 2.98Å; T72-Q76 VanDerWaalsContact O-CB 3.24Å; T72-Q76 WeakPolarHBondContact O-CB 3.29Å; T72-Q76 PolarHBondContact O-N 3.3Å
73S89.6Confident86.1Confident17 Ų1752.5 Ų52.512%0.11929%0.285CS..Hα-helixtrans-57.7-46.1176174.20000112.5K35 D69 F70 S71 T77K35-S73 VanDerWaalsContact CD-OG 3.3Å; K35-S73 WeakPolarHBondContact CD-OG 3.31Å; K35-S73 WeakPolarHBondContact CE-OG 3.47Å; K35-S73 PolarHBondContact NZ-OG 3.42Å; D69-S73 WeakPolarHBondContact O-CB 3.19Å; D69-S73 PolarHBondContact O-N 2.88Å; F70-S73 WeakPolarHBondContact O-CB 3.35Å; F70-S73 PolarHBondContact O-N 3.39Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.16Å; S73-T77 WeakPolarHBondContact O-CB 3.26Å; S73-T77 PolarHBondContact O-N 3.1Å; S73-T77 VanDerWaalsContact O-N 3.13Å; S73-T77 PolarHBondContact O-OG1 3.17Å
74V90.7Very high85.6Confident0 Ų054.2 Ų54.20%031%0.306CS..Hα-helixtrans-65.4-46.2176.6170.20000111.1L53 F70 S71 T72 T77 L78 F93 F97L53-V74 HydrophobicContact CD1-CG2 3.96Å; F70-V74 HydrophobicContact CD1-CG2 4.34Å; F70-V74 HydrophobicContact CE1-CG2 3.95Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.9Å; F70-V74 WeakPolarHBondContact O-CG2 2.98Å; F70-V74 PolarHBondContact O-N 3.05Å; S71-V74 PolarHBondContact O-N 3.22Å; T72-V74 PolarHBondContact O-N 3.45Å; V74-T77 PolarHBondContact O-N 3.28Å; V74-L78 HydrophobicContact CG1-CD1 4.05Å; V74-L78 WeakPolarHBondContact O-CB 3.24Å; V74-L78 WeakPolarHBondContact O-CG 3.5Å; V74-L78 PolarHBondContact O-N 2.92Å; V74-F93 HydrophobicContact CG1-CD1 4.4Å; V74-F97 HydrophobicContact CG1-CB 4.3Å
75I89.5Confident85.6Confident28 Ų2849.8 Ų49.814%0.14428%0.277CS..Hα-helixtrans-64.2-45.3-178.9-66.7164.4000111.1S71 T72 T77 L78 L79 F97 I106 I114S71-I75 WeakPolarHBondContact O-CB 3.26Å; S71-I75 WeakPolarHBondContact O-CD1 3.45Å; S71-I75 WeakPolarHBondContact O-CG1 3.5Å; S71-I75 PolarHBondContact O-N 2.76Å; T72-I75 PolarHBondContact O-N 2.98Å; I75-T77 VanDerWaalsContact C-N 3.35Å; I75-T77 PolarHBondContact O-N 2.73Å; I75-L78 PolarHBondContact O-N 3.02Å; I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CG 3.18Å; I75-L79 PolarHBondContact O-N 2.9Å; I75-F97 HydrophobicContact CG1-CD2 4.33Å; I75-I106 HydrophobicContact CD1-CD1 4.15Å; I75-I114 HydrophobicContact CD1-CD1 3.72Å; I75-I114 HydrophobicContact CG1-CD1 3.94Å; I75-I114 HydrophobicContact CG2-CD1 3.78Å; I75-I114 HydrophobicContact CG2-CG1 4.17Å
76Q88.9Confident85.5Confident120 Ų12046.6 Ų46.656%0.56126%0.262SS*.Hα-helixtrans-63.7-40.8179.7-173-175.48.300111.7T72 L79 S80T72-Q76 VanDerWaalsContact O-CB 3.24Å; T72-Q76 WeakPolarHBondContact O-CB 3.29Å; T72-Q76 PolarHBondContact O-N 3.3Å; Q76-L79 PolarHBondContact O-N 3Å; Q76-S80 VanDerWaalsContact O-CB 3.3Å; Q76-S80 WeakPolarHBondContact O-CB 3.49Å; Q76-S80 PolarHBondContact O-N 3.37Å; Q76-S80 PolarHBondContact O-OG 2.89Å
77T87.7Confident85.5Confident4 Ų448 Ų483%0.02527%0.274CS..Hα-helixtrans-63.4-44.1176.3-51.90000110.8K35 F38 S73 V74 I75 S80 R81 F93K35-T77 VanDerWaalsContact CE-OG1 3.23Å; K35-T77 WeakPolarHBondContact CE-OG1 3.47Å; F38-T77 HydrophobicContact CD1-CG2 4.46Å; F38-T77 HydrophobicContact CE1-CG2 4.3Å; S73-T77 WeakPolarHBondContact O-CB 3.26Å; S73-T77 PolarHBondContact O-N 3.1Å; S73-T77 VanDerWaalsContact O-N 3.13Å; S73-T77 PolarHBondContact O-OG1 3.17Å; V74-T77 PolarHBondContact O-N 3.28Å; I75-T77 VanDerWaalsContact C-N 3.35Å; I75-T77 PolarHBondContact O-N 2.73Å; T77-S80 PolarHBondContact O-OG 3.44Å; T77-R81 PolarHBondContact O-N 2.88Å; T77-F93 HydrophobicContact CG2-CD1 4.39Å; T77-F93 HydrophobicContact CG2-CE1 3.96Å; T77-F93 HydrophobicContact CG2-CE2 4.18Å; T77-F93 HydrophobicContact CG2-CZ 3.84Å
78L86.5Confident85.5Confident3 Ų351.8 Ų51.82%0.01629%0.29CS..Hα-helixtrans-62.6-44.6176.8-80.3173000112.6V74 I75 S82 F93 F97 L118V74-L78 HydrophobicContact CG1-CD1 4.05Å; V74-L78 WeakPolarHBondContact O-CB 3.24Å; V74-L78 WeakPolarHBondContact O-CG 3.5Å; V74-L78 PolarHBondContact O-N 2.92Å; I75-L78 PolarHBondContact O-N 3.02Å; L78-S82 WeakPolarHBondContact O-CB 3.28Å; L78-S82 PolarHBondContact O-N 2.72Å; L78-F93 HydrophobicContact CD1-CB 4.42Å; L78-F93 HydrophobicContact CD2-CB 3.48Å; L78-F93 VanDerWaalsContact CD2-CB 3.48Å; L78-F93 HydrophobicContact CG-CB 3.87Å; L78-F97 HydrophobicContact CD1-CB 3.79Å; L78-F97 HydrophobicContact CD1-CG 4.28Å; L78-L118 HydrophobicContact CB-CD2 4.28Å
79L85.1Confident85.6Confident66 Ų6649 Ų4935%0.34627%0.267SS..Hα-helixtrans-74.2-44.1-176.5-69.8177000112.8I75 Q76 K117I75-L79 HydrophobicContact CG2-CD1 3.81Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CG 3.18Å; I75-L79 PolarHBondContact O-N 2.9Å; Q76-L79 PolarHBondContact O-N 3Å; L79-K117 HydrophobicContact CD2-CB 3.69Å; L79-K117 HydrophobicContact CD2-CD 3.94Å; L79-K117 HydrophobicContact CD2-CG 4.42Å
80S82Confident85.5Confident77 Ų7745 Ų4554%0.53824%0.244SC..Hα-helixtrans-69.3-39.2-174.456.40000113.8Q76 T77Q76-S80 VanDerWaalsContact O-CB 3.3Å; Q76-S80 WeakPolarHBondContact O-CB 3.49Å; Q76-S80 PolarHBondContact O-N 3.37Å; Q76-S80 PolarHBondContact O-OG 2.89Å; T77-S80 PolarHBondContact O-OG 3.44Å
81R73.9Confident85.4Confident73 Ų7346.2 Ų46.228%0.27525%0.25SC..Hα-helixtrans-117.54.3-165.9-67.3155.2-178.7-88.8-5.7114.6S39 T77 F83 G84 M85S39-R81 PolarHBondContact O-NH1 3.01Å; S39-R81 PolarHBondContact O-NH2 2.85Å; T77-R81 PolarHBondContact O-N 2.88Å; R81-F83 PolarHBondContact O-N 3.22Å; R81-G84 PolarHBondContact O-N 3.06Å; R81-M85 HydrophobicContact CB-CG 3.84Å; R81-M85 HydrophobicContact CB-SD 3.95Å; R81-M85 WeakPolarHBondContact O-CG 3.4Å; R81-M85 PolarHBondContact O-N 2.79Å
82S69Low85.4Confident8 Ų845.8 Ų45.86%0.05625%0.247CC..THydrogen-bonded Turntrans-43.3-40-174.349.40000115.2L78 R90L78-S82 WeakPolarHBondContact O-CB 3.28Å; L78-S82 PolarHBondContact O-N 2.72Å; S82-R90 PolarHBondContact O-NE 2.86Å; S82-R90 PolarHBondContact O-NH2 3.36Å; S82-R90 VanDerWaalsContact O-NH2 3.13Å
83F74.8Confident85.4Confident139 Ų13941.8 Ų41.861%0.6122%0.223SC*.THydrogen-bonded Turntrans-73.9-29.7-176.9-61.4-76.1000114.8R81 R120R81-F83 PolarHBondContact O-N 3.22Å; F83-R120 HydrophobicContact CZ-CB 4.36Å
84G79.7Confident85.5Confident47 Ų4741.1 Ų41.149%0.48522%0.218SC..THydrogen-bonded Turntrans-107.4-4.1-173.600000115.5R81R81-G84 PolarHBondContact O-N 3.06Å
85M84.7Confident85.5Confident6 Ų645.9 Ų45.93%0.0324%0.236CC..SBendtrans-71.6146.5-178.6-73170.868.500113.4F38 P42 R81 M89 R90 F93F38-M85 HydrophobicContact CE1-CE 3.74Å; F38-M85 HydrophobicContact CE1-CG 4.1Å; F38-M85 HydrophobicContact CE1-SD 4.33Å; F38-M85 HydrophobicContact CZ-CB 4.42Å; F38-M85 HydrophobicContact CZ-CE 3.78Å; F38-M85 HydrophobicContact CZ-CG 3.89Å; P42-M85 HydrophobicContact CB-CG 4.34Å; P42-M85 VanDerWaalsContact O-CA 3.31Å; P42-M85 WeakPolarHBondContact O-CA 3.45Å; R81-M85 HydrophobicContact CB-CG 3.84Å; R81-M85 HydrophobicContact CB-SD 3.95Å; R81-M85 WeakPolarHBondContact O-CG 3.4Å; R81-M85 PolarHBondContact O-N 2.79Å; M85-M89 HydrophobicContact CE-CB 4.44Å; M85-R90 HydrophobicContact CB-CB 4.3Å; M85-R90 PolarHBondContact O-NH2 2.79Å; M85-F93 HydrophobicContact CE-CB 4.41Å; M85-F93 HydrophobicContact CE-CD2 3.29Å; M85-F93 HydrophobicContact CE-CE2 3.8Å; M85-F93 HydrophobicContact CE-CG 4.1Å
86H88Confident85.6Confident59 Ų5944.6 Ų44.627%0.27323%0.23SC..  trans-53.2135.9167.2-167.4-98.5000110.6P42 Y45 E88 M89 R90P42-H86 PolarHBondContact O-N 3.25Å; P42-H86 VanDerWaalsContact O-N 3.1Å; Y45-H86 AromaticContact CD2-ND1 3.92Å; H86-E88 VanDerWaalsContact C-N 3.3Å; H86-E88 IonicContact CE1-OE2 3.73Å; H86-E88 PolarHBondContact ND1-N 3.35Å; H86-E88 IonicContact ND1-OE2 2.79Å; H86-E88 PolarHBondContact O-N 2.88Å; H86-M89 HydrophobicContact CB-CB 4.26Å; H86-M89 HydrophobicContact CB-CG 4.16Å; H86-M89 PolarHBondContact O-N 3.48Å; H86-R90 WeakPolarHBondContact O-CB 3.39Å; H86-R90 PolarHBondContact O-N 3.32Å
87P87.3Confident85.8Confident67 Ų6738.9 Ų38.944%0.43520%0.203SC..Hα-helixtrans-55.5-40.1-175.7-27.435.2000114.3R90 M91P87-R90 WeakPolarHBondContact O-CB 3.3Å; P87-R90 PolarHBondContact O-N 3.35Å; P87-M91 WeakPolarHBondContact O-CG 3.47Å; P87-M91 PolarHBondContact O-N 2.64Å
88E88.8Confident85.9Confident99 Ų9939.7 Ų39.746%0.46321%0.206SC..Hα-helixtrans-69.9-43.7179.7-64.3177.4163.500111.9Y45 H86 R90 M91 G92Y45-E88 HydrophobicContact CD2-CB 3.84Å; Y45-E88 HydrophobicContact CE2-CB 3.78Å; H86-E88 VanDerWaalsContact C-N 3.3Å; H86-E88 IonicContact CE1-OE2 3.73Å; H86-E88 PolarHBondContact ND1-N 3.35Å; H86-E88 IonicContact ND1-OE2 2.79Å; H86-E88 PolarHBondContact O-N 2.88Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 3.43Å; E88-M91 CarbonylContact O-C 3.6Å; E88-M91 WeakPolarHBondContact O-CB 3.42Å; E88-M91 PolarHBondContact O-N 2.97Å; E88-M91 VanDerWaalsContact O-N 3.12Å; E88-G92 PolarHBondContact O-N 3.4Å
89M89.7Confident86.1Confident0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-61.2-43.2174.3-68.9-51.1-59.300111F38 Y45 L49 E50 M85 H86 M91 G92 F93F38-M89 HydrophobicContact CE2-CB 4.08Å; F38-M89 HydrophobicContact CE2-CG 3.86Å; F38-M89 HydrophobicContact CZ-CB 4Å; F38-M89 HydrophobicContact CZ-CG 4.29Å; Y45-M89 HydrophobicContact CD2-CG 3.81Å; Y45-M89 HydrophobicContact CD2-SD 3.58Å; Y45-M89 VanDerWaalsContact CD2-SD 3.58Å; Y45-M89 HydrophobicContact CE2-CG 4.49Å; Y45-M89 HydrophobicContact CE2-SD 3.77Å; L49-M89 HydrophobicContact CB-CE 3.98Å; L49-M89 HydrophobicContact CD2-CE 3.62Å; L49-M89 HydrophobicContact CG-CE 3.75Å; E50-M89 HydrophobicContact CB-SD 4.47Å; M85-M89 HydrophobicContact CE-CB 4.44Å; H86-M89 HydrophobicContact CB-CB 4.26Å; H86-M89 HydrophobicContact CB-CG 4.16Å; H86-M89 PolarHBondContact O-N 3.48Å; M89-M91 VanDerWaalsContact C-N 3.27Å; M89-M91 PolarHBondContact O-N 3.43Å; M89-G92 WeakPolarHBondContact O-CA 3.48Å; M89-G92 PolarHBondContact O-N 3.38Å; M89-G92 VanDerWaalsContact O-N 3.08Å; M89-F93 HydrophobicContact CE-CD2 4.47Å; M89-F93 HydrophobicContact CE-CE2 3.91Å; M89-F93 VanDerWaalsContact O-CD2 3.27Å; M89-F93 WeakPolarHBondContact O-CD2 3.27Å; M89-F93 PolarHBondContact O-N 3.24Å
90R88.8Confident86.4Confident31 Ų3140.3 Ų40.312%0.11720%0.204CC..Hα-helixtrans-56.4-44174.9-172.1-166.7-67.2123.98.1110.9S82 M85 H86 P87 E88 L94 D123 V126S82-R90 PolarHBondContact O-NE 2.86Å; S82-R90 PolarHBondContact O-NH2 3.36Å; S82-R90 VanDerWaalsContact O-NH2 3.13Å; M85-R90 HydrophobicContact CB-CB 4.3Å; M85-R90 PolarHBondContact O-NH2 2.79Å; H86-R90 WeakPolarHBondContact O-CB 3.39Å; H86-R90 PolarHBondContact O-N 3.32Å; P87-R90 WeakPolarHBondContact O-CB 3.3Å; P87-R90 PolarHBondContact O-N 3.35Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 3.43Å; R90-L94 VanDerWaalsContact O-CB 3.25Å; R90-L94 WeakPolarHBondContact O-CB 3.25Å; R90-L94 PolarHBondContact O-N 3.19Å; R90-D123 IonicContact NH1-OD2 2.78Å; R90-D123 PolarHBondContact NH1-OD2 3.25Å; R90-V126 HydrophobicContact CG-CG2 4.27Å
91M89Confident86.8Confident30 Ų3036.9 Ų36.915%0.14818%0.179CC..Hα-helixtrans-66.8-38.1174.9-73-58.1-6200112.6P87 E88 M89 L94 R95 V126 T129P87-M91 WeakPolarHBondContact O-CG 3.47Å; P87-M91 PolarHBondContact O-N 2.64Å; E88-M91 CarbonylContact O-C 3.6Å; E88-M91 WeakPolarHBondContact O-CB 3.42Å; E88-M91 PolarHBondContact O-N 2.97Å; E88-M91 VanDerWaalsContact O-N 3.12Å; M89-M91 VanDerWaalsContact C-N 3.27Å; M89-M91 PolarHBondContact O-N 3.43Å; M91-L94 HydrophobicContact CE-CD2 4.16Å; M91-L94 PolarHBondContact O-N 2.9Å; M91-L94 HydrophobicContact SD-CD2 3.91Å; M91-R95 WeakPolarHBondContact O-CB 3.34Å; M91-R95 VanDerWaalsContact O-CG 3.29Å; M91-R95 WeakPolarHBondContact O-CG 3.41Å; M91-R95 PolarHBondContact O-N 2.81Å; M91-V126 HydrophobicContact SD-CB 4.38Å; M91-V126 HydrophobicContact SD-CG2 3.55Å; M91-V126 VanDerWaalsContact SD-CG2 3.55Å; M91-T129 HydrophobicContact CE-CG2 4.16Å
92G89.4Confident87.5Confident4 Ų436.4 Ų36.44%0.04119%0.185CC..Hα-helixtrans-56.8-55.3173.100000112L53 E88 M89 L94 R95 A96L53-G92 WeakPolarHBondContact CD2-O 3.47Å; E88-G92 PolarHBondContact O-N 3.4Å; M89-G92 WeakPolarHBondContact O-CA 3.48Å; M89-G92 PolarHBondContact O-N 3.38Å; M89-G92 VanDerWaalsContact O-N 3.08Å; G92-L94 VanDerWaalsContact C-N 3.3Å; G92-L94 PolarHBondContact O-N 3.21Å; G92-R95 PolarHBondContact O-N 3.43Å; G92-A96 PolarHBondContact O-N 3.37Å
93F91.2Very high88.3Confident0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-59.1-39.7176-78.7-76000112.5F38 L49 L53 V74 T77 L78 M85 M89 A96 F97F38-F93 HydrophobicContact CD1-CE2 4.19Å; F38-F93 HydrophobicContact CD1-CZ 4.45Å; F38-F93 AromaticContact CE1-CE2 3.88Å; F38-F93 HydrophobicContact CE1-CE2 3.88Å; F38-F93 HydrophobicContact CZ-CE2 4.39Å; L49-F93 HydrophobicContact CD2-CE2 4.44Å; L49-F93 HydrophobicContact CD2-CZ 4.24Å; L53-F93 HydrophobicContact CD1-CD1 4.07Å; L53-F93 HydrophobicContact CD1-CE1 4.15Å; L53-F93 HydrophobicContact CD2-CB 4.33Å; L53-F93 HydrophobicContact CD2-CD1 3.84Å; L53-F93 HydrophobicContact CD2-CD2 4.34Å; L53-F93 HydrophobicContact CD2-CE1 4.21Å; L53-F93 HydrophobicContact CD2-CG 3.91Å; V74-F93 HydrophobicContact CG1-CD1 4.4Å; T77-F93 HydrophobicContact CG2-CD1 4.39Å; T77-F93 HydrophobicContact CG2-CE1 3.96Å; T77-F93 HydrophobicContact CG2-CE2 4.18Å; T77-F93 HydrophobicContact CG2-CZ 3.84Å; L78-F93 HydrophobicContact CD1-CB 4.42Å; L78-F93 HydrophobicContact CD2-CB 3.48Å; L78-F93 VanDerWaalsContact CD2-CB 3.48Å; L78-F93 HydrophobicContact CG-CB 3.87Å; M85-F93 HydrophobicContact CE-CB 4.41Å; M85-F93 HydrophobicContact CE-CD2 3.29Å; M85-F93 HydrophobicContact CE-CE2 3.8Å; M85-F93 HydrophobicContact CE-CG 4.1Å; M89-F93 HydrophobicContact CE-CD2 4.47Å; M89-F93 HydrophobicContact CE-CE2 3.91Å; M89-F93 VanDerWaalsContact O-CD2 3.27Å; M89-F93 WeakPolarHBondContact O-CD2 3.27Å; M89-F93 PolarHBondContact O-N 3.24Å; F93-A96 PolarHBondContact O-N 2.76Å; F93-F97 PolarHBondContact O-N 2.91Å
94L90.9Very high88.8Confident2 Ų238.4 Ų38.41%0.0120%0.198CC..Hα-helixtrans-63.7-45.5175.7-175.473.3000112.2R90 M91 G92 A96 F97 M98 L118 V126 T129 L130R90-L94 VanDerWaalsContact O-CB 3.25Å; R90-L94 WeakPolarHBondContact O-CB 3.25Å; R90-L94 PolarHBondContact O-N 3.19Å; M91-L94 HydrophobicContact CE-CD2 4.16Å; M91-L94 PolarHBondContact O-N 2.9Å; M91-L94 HydrophobicContact SD-CD2 3.91Å; G92-L94 VanDerWaalsContact C-N 3.3Å; G92-L94 PolarHBondContact O-N 3.21Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.07Å; L94-F97 PolarHBondContact O-N 3.25Å; L94-M98 HydrophobicContact CD1-CE 3.87Å; L94-M98 HydrophobicContact CD2-CE 3.59Å; L94-M98 HydrophobicContact CG-CE 3.5Å; L94-M98 HydrophobicContact CG-SD 4.27Å; L94-M98 VanDerWaalsContact O-CG 3.25Å; L94-M98 WeakPolarHBondContact O-CG 3.35Å; L94-M98 PolarHBondContact O-N 3.43Å; L94-L118 HydrophobicContact CD1-CD1 4.07Å; L94-V126 HydrophobicContact CD2-CB 4.48Å; L94-V126 HydrophobicContact CD2-CG1 4.01Å; L94-T129 HydrophobicContact CD2-CG2 4.5Å; L94-L130 HydrophobicContact CD1-CD1 4.18Å; L94-L130 HydrophobicContact CD1-CD2 3.52Å; L94-L130 HydrophobicContact CD1-CG 3.75Å; L94-L130 HydrophobicContact CD2-CG 4.27Å
95R91.2Very high89.1Confident100 Ų10038.7 Ų38.738%0.37719%0.188SC..Hα-helixtrans-61.8-39.2176.7-72.9-176.1-134.2123.6-2.8111.2E50 M91 G92 M98 R99E50-R95 IonicContact OE1-CZ 3.74Å; E50-R95 IonicContact OE1-NH1 2.76Å; E50-R95 PolarHBondContact OE1-NH1 3.22Å; E50-R95 IonicContact OE1-NH2 2.94Å; M91-R95 WeakPolarHBondContact O-CB 3.34Å; M91-R95 VanDerWaalsContact O-CG 3.29Å; M91-R95 WeakPolarHBondContact O-CG 3.41Å; M91-R95 PolarHBondContact O-N 2.81Å; G92-R95 PolarHBondContact O-N 3.43Å; R95-M98 PolarHBondContact O-N 3.21Å; R95-R99 WeakPolarHBondContact O-CG 3.3Å; R95-R99 PolarHBondContact O-N 3.19Å
96A91.1Very high89.2Confident2 Ų238.7 Ų38.72%0.01719%0.188CC..Hα-helixtrans-62.5-48175.600000111.9L53 G92 F93 L94 M98 R99 L100L53-A96 HydrophobicContact CD1-CB 3.51Å; L53-A96 HydrophobicContact CD2-CB 3.93Å; L53-A96 HydrophobicContact CG-CB 3.57Å; G92-A96 PolarHBondContact O-N 3.37Å; F93-A96 PolarHBondContact O-N 2.76Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.07Å; A96-M98 VanDerWaalsContact C-N 3.33Å; A96-M98 PolarHBondContact O-N 2.8Å; A96-R99 PolarHBondContact O-N 2.95Å; A96-R99 VanDerWaalsContact O-N 3.17Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 3.05Å
97F92.1Very high89.2Confident0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-56.5-45173.7168.3-102.1000112.3V74 I75 L78 F93 L94 R99 L100 R101 I106 A111 I114 F133V74-F97 HydrophobicContact CG1-CB 4.3Å; I75-F97 HydrophobicContact CG1-CD2 4.33Å; L78-F97 HydrophobicContact CD1-CB 3.79Å; L78-F97 HydrophobicContact CD1-CG 4.28Å; F93-F97 PolarHBondContact O-N 2.91Å; L94-F97 PolarHBondContact O-N 3.25Å; F97-R99 VanDerWaalsContact C-N 3.32Å; F97-R99 PolarHBondContact O-N 2.7Å; F97-L100 PolarHBondContact O-N 3.26Å; F97-R101 PolarHBondContact O-N 3.23Å; F97-R101 VanDerWaalsContact O-N 3.11Å; F97-I106 HydrophobicContact CD2-CD1 3.91Å; F97-I106 HydrophobicContact CE2-CD1 3.98Å; F97-A111 HydrophobicContact CZ-CB 4.01Å; F97-I114 HydrophobicContact CE2-CB 4.22Å; F97-I114 HydrophobicContact CE2-CD1 3.92Å; F97-I114 HydrophobicContact CE2-CG2 3.93Å; F97-I114 HydrophobicContact CZ-CB 4.05Å; F97-I114 HydrophobicContact CZ-CD1 4.47Å; F97-I114 HydrophobicContact CZ-CG2 3.91Å; F97-F133 HydrophobicContact CE1-CE1 4.25Å
98M91.5Very high89.3Confident20 Ų2036.4 Ų36.410%0.09918%0.179CC..Hα-helixtrans-61.9-38.7177.3-69.6173.9177.900112.6L94 R95 A96 T102 T129 L130 F133L94-M98 HydrophobicContact CD1-CE 3.87Å; L94-M98 HydrophobicContact CD2-CE 3.59Å; L94-M98 HydrophobicContact CG-CE 3.5Å; L94-M98 HydrophobicContact CG-SD 4.27Å; L94-M98 VanDerWaalsContact O-CG 3.25Å; L94-M98 WeakPolarHBondContact O-CG 3.35Å; L94-M98 PolarHBondContact O-N 3.43Å; R95-M98 PolarHBondContact O-N 3.21Å; A96-M98 VanDerWaalsContact C-N 3.33Å; A96-M98 PolarHBondContact O-N 2.8Å; M98-T102 WeakPolarHBondContact O-CB 3.23Å; M98-T102 PolarHBondContact O-N 3.24Å; M98-T102 PolarHBondContact O-OG1 2.98Å; M98-T129 HydrophobicContact CE-CG2 3.68Å; M98-T129 HydrophobicContact SD-CG2 3.96Å; M98-L130 HydrophobicContact CE-CD2 3.97Å; M98-L130 HydrophobicContact CE-CG 4.21Å; M98-F133 HydrophobicContact CB-CD2 3.7Å; M98-F133 HydrophobicContact CB-CE2 3.6Å; M98-F133 HydrophobicContact CB-CG 4.26Å; M98-F133 HydrophobicContact CB-CZ 4.08Å; M98-F133 HydrophobicContact CE-CB 3.67Å; M98-F133 HydrophobicContact CE-CD1 4.32Å; M98-F133 HydrophobicContact CE-CG 4Å; M98-F133 HydrophobicContact CG-CB 4.21Å; M98-F133 HydrophobicContact CG-CD1 3.88Å; M98-F133 HydrophobicContact CG-CD2 3.55Å; M98-F133 HydrophobicContact CG-CE1 4.11Å; M98-F133 HydrophobicContact CG-CE2 3.8Å; M98-F133 HydrophobicContact CG-CG 3.58Å; M98-F133 HydrophobicContact CG-CZ 4.06Å; M98-F133 WeakPolarHBondContact O-CE2 3.45Å; M98-F133 HydrophobicContact SD-CB 3.96Å; M98-F133 HydrophobicContact SD-CD2 4.14Å; M98-F133 HydrophobicContact SD-CG 4Å
99R90.6Very high89.3Confident82 Ų8234.7 Ų34.731%0.30918%0.176SC..Hα-helixtrans-67.9-44.4176.7-74.3172.6-178.5168.10.4111.9S54 S57 R95 A96 F97 R101 T102 K103S54-R99 VanDerWaalsContact CA-NH1 3.3Å; S54-R99 PolarHBondContact O-NH1 3.12Å; S54-R99 PolarHBondContact OG-NH1 2.92Å; S57-R99 WeakPolarHBondContact OG-CD 3.47Å; S57-R99 PolarHBondContact OG-NH1 2.75Å; R95-R99 WeakPolarHBondContact O-CG 3.3Å; R95-R99 PolarHBondContact O-N 3.19Å; A96-R99 PolarHBondContact O-N 2.95Å; A96-R99 VanDerWaalsContact O-N 3.17Å; F97-R99 VanDerWaalsContact C-N 3.32Å; F97-R99 PolarHBondContact O-N 2.7Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 2.82Å; R99-T102 PolarHBondContact O-N 3.08Å; R99-T102 VanDerWaalsContact O-N 3.16Å; R99-K103 PolarHBondContact O-N 3.19Å; R99-K103 VanDerWaalsContact O-N 3.1Å
100L90.7Very high89.3Confident0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-56.4-45176.5-70.5173.8000111.3V60 F70 A96 F97 K103 L105 I106V60-L100 HydrophobicContact CG1-CD2 4.4Å; F70-L100 HydrophobicContact CD1-CD1 4.22Å; F70-L100 HydrophobicContact CD1-CD2 4.12Å; F70-L100 HydrophobicContact CE1-CD1 4.14Å; F70-L100 HydrophobicContact CE1-CD2 4.13Å; F70-L100 HydrophobicContact CE1-CG 4.49Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 3.05Å; F97-L100 PolarHBondContact O-N 3.26Å; L100-K103 PolarHBondContact O-N 3.37Å; L100-L105 HydrophobicContact CD2-CD1 3.77Å; L100-L105 PolarHBondContact O-N 2.99Å; L100-L105 VanDerWaalsContact O-N 3.14Å; L100-I106 HydrophobicContact CB-CD1 3.77Å; L100-I106 HydrophobicContact CB-CG1 4.33Å; L100-I106 HydrophobicContact CD1-CD1 4.23Å
101R90Very high89.4Confident6 Ų638.2 Ų38.22%0.02319%0.193CC..Hα-helixtrans-68.9-38.1176.5170.461.2-167.7108-3.9113F97 R99 K103 N104 I106 A111 F133 D137 M141F97-R101 PolarHBondContact O-N 3.23Å; F97-R101 VanDerWaalsContact O-N 3.11Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-R101 PolarHBondContact O-N 2.82Å; R101-K103 PolarHBondContact O-N 3.3Å; R101-N104 PolarHBondContact NH1-OD1 3.06Å; R101-N104 WeakPolarHBondContact O-CA 3.39Å; R101-N104 PolarHBondContact O-N 3.43Å; R101-I106 WeakPolarHBondContact CD-O 3.35Å; R101-A111 HydrophobicContact CG-CB 4.01Å; R101-F133 HydrophobicContact CB-CZ 3.77Å; R101-F133 HydrophobicContact CG-CE1 4.31Å; R101-F133 HydrophobicContact CG-CE2 4.48Å; R101-F133 HydrophobicContact CG-CZ 3.57Å; R101-D137 VanDerWaalsContact CZ-CG 3.49Å; R101-D137 IonicContact CZ-OD1 3.48Å; R101-D137 IonicContact CZ-OD2 3.18Å; R101-D137 IonicContact NE-OD1 2.59Å; R101-D137 PolarHBondContact NE-OD1 3.04Å; R101-D137 IonicContact NE-OD2 2.69Å; R101-D137 PolarHBondContact NE-OD2 3.36Å; R101-D137 IonicContact NH1-OD1 3.11Å; R101-D137 IonicContact NH2-OD1 3.36Å; R101-D137 PolarHBondContact NH2-OD1 3.13Å; R101-D137 IonicContact NH2-OD2 3.63Å; R101-D137 PolarHBondContact NH2-OD2 3.38Å; R101-M141 PolarHBondContact NH2-SD 3.37Å
102T88.7Confident89.5Confident63 Ų6336.9 Ų36.939%0.38719%0.187SC..Hα-helixtrans-61.6-28.4176.7-59.70000112.5M98 R99 N104 R140M98-T102 WeakPolarHBondContact O-CB 3.23Å; M98-T102 PolarHBondContact O-N 3.24Å; M98-T102 PolarHBondContact O-OG1 2.98Å; R99-T102 PolarHBondContact O-N 3.08Å; R99-T102 VanDerWaalsContact O-N 3.16Å; T102-N104 VanDerWaalsContact C-N 3.29Å; T102-R140 PolarHBondContact OG1-NH2 3.31Å
103K85.9Confident89.6Confident69 Ų6939.1 Ų39.130%0.320%0.198SC..THydrogen-bonded Turntrans-86.77.2173.1-66.1178.5173.5-176.90114.3S57 Q58 R61 R99 L100 R101 L105S57-K103 PolarHBondContact O-NZ 3.31Å; Q58-K103 VanDerWaalsContact C-NZ 3.27Å; Q58-K103 PolarHBondContact O-NZ 3.22Å; R61-K103 HydrophobicContact CB-CD 4.45Å; R99-K103 PolarHBondContact O-N 3.19Å; R99-K103 VanDerWaalsContact O-N 3.1Å; L100-K103 PolarHBondContact O-N 3.37Å; R101-K103 PolarHBondContact O-N 3.3Å; K103-L105 HydrophobicContact CB-CD1 4.36Å; K103-L105 HydrophobicContact CB-CG 4.16Å; K103-L105 PolarHBondContact O-N 3.12Å
104N85Confident89.6Confident119 Ų11939.6 Ų39.664%0.63620%0.201SC*.THydrogen-bonded Turntrans59.524.3-177.9-58.3-43.7000115.2R101 T102 I106R101-N104 PolarHBondContact NH1-OD1 3.06Å; R101-N104 WeakPolarHBondContact O-CA 3.39Å; R101-N104 PolarHBondContact O-N 3.43Å; T102-N104 VanDerWaalsContact C-N 3.29Å; N104-I106 VanDerWaalsContact C-N 3.32Å
105L85.8Confident89.6Confident54 Ų5439.5 Ų39.528%0.28320%0.2SC..SBendtrans-76.9-22175.6-58.2173.8000112.5V60 V67 L100 K103V60-L105 HydrophobicContact CG1-CD1 4.23Å; V67-L105 HydrophobicContact CG1-CB 3.99Å; V67-L105 HydrophobicContact CG1-CD1 4.08Å; V67-L105 HydrophobicContact CG1-CD2 4.03Å; V67-L105 HydrophobicContact CG1-CG 4.24Å; V67-L105 HydrophobicContact CG2-CD2 4.41Å; L100-L105 HydrophobicContact CD2-CD1 3.77Å; L100-L105 PolarHBondContact O-N 2.99Å; L100-L105 VanDerWaalsContact O-N 3.14Å; K103-L105 HydrophobicContact CB-CD1 4.36Å; K103-L105 HydrophobicContact CB-CG 4.16Å; K103-L105 PolarHBondContact O-N 3.12Å
106I87.3Confident89.5Confident5 Ų535 Ų353%0.02618%0.183CC..SBendtrans-115.9129.6176.8-59.5169.4000108.3I75 F97 L100 R101 N104 Q110 A111I75-I106 HydrophobicContact CD1-CD1 4.15Å; F97-I106 HydrophobicContact CD2-CD1 3.91Å; F97-I106 HydrophobicContact CE2-CD1 3.98Å; L100-I106 HydrophobicContact CB-CD1 3.77Å; L100-I106 HydrophobicContact CB-CG1 4.33Å; L100-I106 HydrophobicContact CD1-CD1 4.23Å; R101-I106 WeakPolarHBondContact CD-O 3.35Å; N104-I106 VanDerWaalsContact C-N 3.32Å; I106-Q110 HydrophobicContact CG2-CB 4.26Å; I106-A111 HydrophobicContact CG2-CB 4.26Å
107P88.6Confident89.4Confident67 Ų6739.4 Ų39.444%0.43520%0.202SC..  trans-57.6143.5174.2-24.233.2000112.7T109 Q110 A111P107-T109 VanDerWaalsContact C-N 3.29Å; P107-T109 PolarHBondContact O-N 3.35Å; P107-Q110 HydrophobicContact CB-CG 4.4Å; P107-Q110 PolarHBondContact O-N 2.88Å; P107-A111 PolarHBondContact O-N 3.18Å
108A88.1Confident89.1Confident12 Ų1239.7 Ų39.710%0.09920%0.203CC..Hα-helixtrans-58.5-38.5-178.300000113.3A111 V112 M141 I154A108-A111 PolarHBondContact O-N 3.35Å; A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.96Å; A108-M141 HydrophobicContact CB-CE 3.55Å; A108-M141 HydrophobicContact CB-SD 3.57Å; A108-M141 VanDerWaalsContact CB-SD 3.57Å; A108-I154 HydrophobicContact CB-CD1 4.5Å
109T90.1Very high88.9Confident62 Ų6238.7 Ų38.738%0.3820%0.199SC..Hα-helixtrans-62.9-44.9179.8490000112P107 V112 D113 V153P107-T109 VanDerWaalsContact C-N 3.29Å; P107-T109 PolarHBondContact O-N 3.35Å; T109-V112 PolarHBondContact O-N 3.34Å; T109-D113 PolarHBondContact O-N 3.17Å; T109-D113 VanDerWaalsContact O-N 3.14Å; T109-V153 HydrophobicContact CG2-CB 4.47Å; T109-V153 HydrophobicContact CG2-CG1 3.98Å
110Q89.6Confident88.7Confident105 Ų10541.3 Ų41.349%0.49121%0.209SC..Hα-helixtrans-67.3-40175.6-66.4-178.6-1.600111.3I106 P107 V112 D113 I114I106-Q110 HydrophobicContact CG2-CB 4.26Å; P107-Q110 HydrophobicContact CB-CG 4.4Å; P107-Q110 PolarHBondContact O-N 2.88Å; Q110-V112 VanDerWaalsContact C-N 3.32Å; Q110-V112 PolarHBondContact O-N 2.98Å; Q110-D113 PolarHBondContact O-N 3.4Å; Q110-I114 WeakPolarHBondContact O-CD1 3.41Å; Q110-I114 VanDerWaalsContact O-CG1 3.28Å; Q110-I114 WeakPolarHBondContact O-CG1 3.06Å; Q110-I114 PolarHBondContact O-N 2.92Å
111A91.1Very high88.3Confident0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-62.4-39.9178.600000112.4F97 R101 I106 P107 A108 A115F97-A111 HydrophobicContact CZ-CB 4.01Å; R101-A111 HydrophobicContact CG-CB 4.01Å; I106-A111 HydrophobicContact CG2-CB 4.26Å; P107-A111 PolarHBondContact O-N 3.18Å; A108-A111 PolarHBondContact O-N 3.35Å; A111-A115 VanDerWaalsContact O-CB 3.3Å; A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 3.5Å
112V91.3Very high87.7Confident3 Ų352 Ų522%0.01825%0.25CC..Hα-helixtrans-63.2-49.1173.1173.40000110.3A108 T109 Q110 I114 A115 F116 L134 I154 F157A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.96Å; T109-V112 PolarHBondContact O-N 3.34Å; Q110-V112 VanDerWaalsContact C-N 3.32Å; Q110-V112 PolarHBondContact O-N 2.98Å; V112-I114 PolarHBondContact O-N 3.05Å; V112-A115 PolarHBondContact O-N 3.44Å; V112-A115 VanDerWaalsContact O-N 3.15Å; V112-F116 HydrophobicContact CG1-CD2 3.7Å; V112-F116 HydrophobicContact CG1-CE2 3.82Å; V112-F116 VanDerWaalsContact O-CD2 3.29Å; V112-F116 WeakPolarHBondContact O-CD2 3.41Å; V112-F116 PolarHBondContact O-N 2.86Å; V112-L134 HydrophobicContact CG2-CD2 4.13Å; V112-I154 HydrophobicContact CG1-CG2 4.33Å; V112-I154 HydrophobicContact CG2-CD1 4.35Å; V112-I154 HydrophobicContact CG2-CG1 4.34Å; V112-I154 HydrophobicContact CG2-CG2 4.17Å; V112-F157 HydrophobicContact CG1-CD1 3.69Å; V112-F157 HydrophobicContact CG1-CE1 3.74Å
113D91.1Very high87.6Confident50 Ų5050.7 Ų50.727%0.26724%0.24SC..Hα-helixtrans-56.9-47179178.340.7000112.6T109 Q110 A115 F116 K117 F157T109-D113 PolarHBondContact O-N 3.17Å; T109-D113 VanDerWaalsContact O-N 3.14Å; Q110-D113 PolarHBondContact O-N 3.4Å; D113-A115 PolarHBondContact O-N 2.91Å; D113-F116 PolarHBondContact O-N 3.35Å; D113-K117 WeakPolarHBondContact O-CG 3.41Å; D113-K117 PolarHBondContact O-N 3.23Å; D113-K117 WeakPolarHBondContact OD1-CE 3.32Å; D113-K117 IonicContact OD1-NZ 3.52Å; D113-K117 WeakPolarHBondContact OD2-CE 3.38Å; D113-K117 IonicContact OD2-NZ 2.62Å; D113-K117 PolarHBondContact OD2-NZ 3.3Å; D113-F157 HydrophobicContact CB-CE2 4.31Å; D113-F157 HydrophobicContact CB-CZ 4.14Å
114I90.1Very high87.6Confident11 Ų1154 Ų546%0.05625%0.254CS..Hα-helixtrans-61.3-44.9176.6-65.2160.8000110.7I75 F97 Q110 V112 F116 K117 L118I75-I114 HydrophobicContact CD1-CD1 3.72Å; I75-I114 HydrophobicContact CG1-CD1 3.94Å; I75-I114 HydrophobicContact CG2-CD1 3.78Å; I75-I114 HydrophobicContact CG2-CG1 4.17Å; F97-I114 HydrophobicContact CE2-CB 4.22Å; F97-I114 HydrophobicContact CE2-CD1 3.92Å; F97-I114 HydrophobicContact CE2-CG2 3.93Å; F97-I114 HydrophobicContact CZ-CB 4.05Å; F97-I114 HydrophobicContact CZ-CD1 4.47Å; F97-I114 HydrophobicContact CZ-CG2 3.91Å; Q110-I114 WeakPolarHBondContact O-CD1 3.41Å; Q110-I114 VanDerWaalsContact O-CG1 3.28Å; Q110-I114 WeakPolarHBondContact O-CG1 3.06Å; Q110-I114 PolarHBondContact O-N 2.92Å; V112-I114 PolarHBondContact O-N 3.05Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 2.74Å; I114-K117 WeakPolarHBondContact O-CB 3.48Å; I114-K117 PolarHBondContact O-N 2.77Å; I114-L118 HydrophobicContact CG2-CD1 4.12Å; I114-L118 HydrophobicContact CG2-CG 4.47Å; I114-L118 WeakPolarHBondContact O-CG 3.3Å; I114-L118 PolarHBondContact O-N 3.1Å
115A90.8Very high87.7Confident0 Ų053.9 Ų53.90%025%0.25CS..Hα-helixtrans-60.6-37.7177.900000112.4A111 V112 D113 L118 Y119 L130 L134A111-A115 VanDerWaalsContact O-CB 3.3Å; A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 3.5Å; V112-A115 PolarHBondContact O-N 3.44Å; V112-A115 VanDerWaalsContact O-N 3.15Å; D113-A115 PolarHBondContact O-N 2.91Å; A115-L118 CarbonylContact O-C 3.59Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-Y119 VanDerWaalsContact O-CD2 3.28Å; A115-Y119 WeakPolarHBondContact O-CD2 3.41Å; A115-Y119 PolarHBondContact O-N 3.16Å; A115-L130 HydrophobicContact CB-CD2 4Å; A115-L134 HydrophobicContact CB-CD1 3.8Å; A115-L134 HydrophobicContact CB-CD2 4.01Å; A115-L134 HydrophobicContact CB-CG 4.19Å
116F89.8Confident87.8Confident5 Ų551.5 Ų51.52%0.02224%0.238CC..Hα-helixtrans-71-31.9177-85.8-87.7000114V112 D113 I114 L118 Y119 L134 F157 L158 M161 V169 A173 I176V112-F116 HydrophobicContact CG1-CD2 3.7Å; V112-F116 HydrophobicContact CG1-CE2 3.82Å; V112-F116 VanDerWaalsContact O-CD2 3.29Å; V112-F116 WeakPolarHBondContact O-CD2 3.41Å; V112-F116 PolarHBondContact O-N 2.86Å; D113-F116 PolarHBondContact O-N 3.35Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 2.74Å; F116-L118 VanDerWaalsContact C-N 3.34Å; F116-Y119 AromaticContact CD1-CD2 3.93Å; F116-Y119 HydrophobicContact CD1-CD2 3.93Å; F116-Y119 HydrophobicContact CD2-CD2 4.44Å; F116-Y119 HydrophobicContact CD2-CE2 4.48Å; F116-Y119 HydrophobicContact CE1-CD2 4.07Å; F116-Y119 HydrophobicContact CE1-CE2 4.35Å; F116-Y119 HydrophobicContact CE2-CE2 4.35Å; F116-Y119 HydrophobicContact CG-CD2 4.11Å; F116-Y119 HydrophobicContact CZ-CD2 4.42Å; F116-Y119 HydrophobicContact CZ-CE2 4.26Å; F116-Y119 PolarHBondContact O-N 3.38Å; F116-L134 HydrophobicContact CE2-CD1 4.23Å; F116-F157 HydrophobicContact CB-CE1 3.95Å; F116-F157 HydrophobicContact CB-CZ 4.09Å; F116-F157 HydrophobicContact CD2-CD1 4.45Å; F116-F157 AromaticContact CD2-CE1 3.65Å; F116-F157 HydrophobicContact CD2-CE1 3.65Å; F116-F157 HydrophobicContact CE2-CE1 4.36Å; F116-F157 AromaticContact CG-CE1 3.8Å; F116-F157 HydrophobicContact CG-CE1 3.8Å; F116-F157 HydrophobicContact CG-CZ 4.43Å; F116-L158 HydrophobicContact CE1-CD2 4.16Å; F116-L158 HydrophobicContact CE2-CD2 3.45Å; F116-L158 VanDerWaalsContact CE2-CD2 3.45Å; F116-L158 HydrophobicContact CZ-CD2 3.19Å; F116-M161 HydrophobicContact CB-SD 4.46Å; F116-M161 HydrophobicContact CD1-CB 4.05Å; F116-M161 HydrophobicContact CD1-CG 3.9Å; F116-M161 HydrophobicContact CD1-SD 4.43Å; F116-M161 HydrophobicContact CE1-CB 4.16Å; F116-M161 HydrophobicContact CE1-CG 4.41Å; F116-M161 HydrophobicContact CG-CG 4.22Å; F116-V169 HydrophobicContact CD1-CG1 3.72Å; F116-V169 HydrophobicContact CE1-CG1 4.31Å; F116-A173 HydrophobicContact CE1-CB 3.72Å; F116-A173 HydrophobicContact CZ-CB 4.07Å; F116-I176 HydrophobicContact CE2-CD1 4.14Å; F116-I176 HydrophobicContact CZ-CD1 3.76Å
117K88.3Confident87.9Confident94 Ų9453.2 Ų53.241%0.40924%0.244SC..Hα-helixtrans-64.1-41.2166.9-68.8165.1178.51650111.1L79 D113 I114 Y119 R120L79-K117 HydrophobicContact CD2-CB 3.69Å; L79-K117 HydrophobicContact CD2-CD 3.94Å; L79-K117 HydrophobicContact CD2-CG 4.42Å; D113-K117 WeakPolarHBondContact O-CG 3.41Å; D113-K117 PolarHBondContact O-N 3.23Å; D113-K117 WeakPolarHBondContact OD1-CE 3.32Å; D113-K117 IonicContact OD1-NZ 3.52Å; D113-K117 WeakPolarHBondContact OD2-CE 3.38Å; D113-K117 IonicContact OD2-NZ 2.62Å; D113-K117 PolarHBondContact OD2-NZ 3.3Å; I114-K117 WeakPolarHBondContact O-CB 3.48Å; I114-K117 PolarHBondContact O-N 2.77Å; K117-Y119 PolarHBondContact O-N 3.45Å; K117-R120 WeakPolarHBondContact O-CB 3.29Å; K117-R120 PolarHBondContact O-N 2.91Å
118L87.5Confident87.9Confident6 Ų653.3 Ų53.33%0.03124%0.237CC..Hα-helixtrans-70.7-25.3177.9-65.6174.8000113.9L78 L94 I114 A115 F116 R120 C121 L130L78-L118 HydrophobicContact CB-CD2 4.28Å; L94-L118 HydrophobicContact CD1-CD1 4.07Å; I114-L118 HydrophobicContact CG2-CD1 4.12Å; I114-L118 HydrophobicContact CG2-CG 4.47Å; I114-L118 WeakPolarHBondContact O-CG 3.3Å; I114-L118 PolarHBondContact O-N 3.1Å; A115-L118 CarbonylContact O-C 3.59Å; A115-L118 PolarHBondContact O-N 3.4Å; F116-L118 VanDerWaalsContact C-N 3.34Å; L118-R120 PolarHBondContact O-N 3.26Å; L118-R120 VanDerWaalsContact O-N 3.07Å; L118-C121 WeakPolarHBondContact O-CB 3.29Å; L118-C121 PolarHBondContact O-N 3.31Å; L118-C121 PolarHBondContact O-SG 3.37Å; L118-L130 HydrophobicContact CB-CD1 3.76Å; L118-L130 HydrophobicContact CD1-CD1 4.49Å
119Y87.5Confident88Confident0 Ų055 Ų550%025%0.246CC..THydrogen-bonded Turntrans-62.1-14.6174.3-81.4-55.1000114.1A115 F116 K117 C121 R127 L130 R131 L134 E172 I176A115-Y119 VanDerWaalsContact O-CD2 3.28Å; A115-Y119 WeakPolarHBondContact O-CD2 3.41Å; A115-Y119 PolarHBondContact O-N 3.16Å; F116-Y119 AromaticContact CD1-CD2 3.93Å; F116-Y119 HydrophobicContact CD1-CD2 3.93Å; F116-Y119 HydrophobicContact CD2-CD2 4.44Å; F116-Y119 HydrophobicContact CD2-CE2 4.48Å; F116-Y119 HydrophobicContact CE1-CD2 4.07Å; F116-Y119 HydrophobicContact CE1-CE2 4.35Å; F116-Y119 HydrophobicContact CE2-CE2 4.35Å; F116-Y119 HydrophobicContact CG-CD2 4.11Å; F116-Y119 HydrophobicContact CZ-CD2 4.42Å; F116-Y119 HydrophobicContact CZ-CE2 4.26Å; F116-Y119 PolarHBondContact O-N 3.38Å; K117-Y119 PolarHBondContact O-N 3.45Å; Y119-C121 PolarHBondContact O-N 3.21Å; Y119-R127 HydrophobicContact CD1-CB 4.14Å; Y119-R127 HydrophobicContact CD1-CG 3.87Å; Y119-R127 HydrophobicContact CE1-CB 4.2Å; Y119-R127 HydrophobicContact CE1-CG 4.41Å; Y119-L130 HydrophobicContact CE1-CB 3.84Å; Y119-L130 HydrophobicContact CE1-CD1 4.42Å; Y119-L130 VanDerWaalsContact OH-C 3.25Å; Y119-R131 WeakPolarHBondContact OH-CA 3.47Å; Y119-R131 PolarHBondContact OH-N 3.23Å; Y119-L134 HydrophobicContact CE2-CD1 3.9Å; Y119-E172 HydrophobicContact CD1-CB 3.94Å; Y119-E172 HydrophobicContact CD1-CG 3.72Å; Y119-E172 HydrophobicContact CD2-CB 4.26Å; Y119-E172 HydrophobicContact CE1-CB 3.96Å; Y119-E172 HydrophobicContact CE1-CG 3.89Å; Y119-E172 HydrophobicContact CE2-CB 4.31Å; Y119-E172 HydrophobicContact CG-CB 4.15Å; Y119-E172 HydrophobicContact CG-CG 4.3Å; Y119-I176 HydrophobicContact CE2-CD1 3.96Å
120R86.2Confident88.1Confident137 Ų13752 Ų5252%0.51723%0.228SC..THydrogen-bonded Turntrans-70.1-14.8171.8-62.4-178.1174.4-173.8-4.1112.7F83 K117 L118 D164 V169F83-R120 HydrophobicContact CZ-CB 4.36Å; K117-R120 WeakPolarHBondContact O-CB 3.29Å; K117-R120 PolarHBondContact O-N 2.91Å; L118-R120 PolarHBondContact O-N 3.26Å; L118-R120 VanDerWaalsContact O-N 3.07Å; R120-D164 IonicContact NH2-OD2 2.83Å; R120-V169 HydrophobicContact CG-CG2 3.91Å
121C80.9Confident88.1Confident5 Ų548 Ų483%0.03421%0.209CC..SBendtrans-63.5137.3173.9-61.90000111.4L118 Y119 D123L118-C121 WeakPolarHBondContact O-CB 3.29Å; L118-C121 PolarHBondContact O-N 3.31Å; L118-C121 PolarHBondContact O-SG 3.37Å; Y119-C121 PolarHBondContact O-N 3.21Å; C121-D123 PolarHBondContact O-N 3.46Å
122R79.2Confident88.1Confident226 Ų22651.1 Ų51.185%0.85322%0.223SC*.  trans-69.8-22179.5-65.2-177.8179.9165.10.2113K124 R127R122-K124 PolarHBondContact O-N 2.96Å; R122-R127 PolarHBondContact O-NH2 2.85Å
123D84.7Confident88.1Confident35 Ų3551.7 Ų51.719%0.18723%0.225CC..  trans-59.8127.5-176.9-166.1-25.3000112.3R90 C121 Q125 V126 R127R90-D123 IonicContact NH1-OD2 2.78Å; R90-D123 PolarHBondContact NH1-OD2 3.25Å; C121-D123 PolarHBondContact O-N 3.46Å; D123-Q125 PolarHBondContact OD1-N 2.87Å; D123-V126 HydrophobicContact CB-CB 4.08Å; D123-V126 HydrophobicContact CB-CG2 3.91Å; D123-V126 WeakPolarHBondContact OD2-CG2 3.46Å; D123-R127 VanDerWaalsContact O-CG 3.25Å; D123-R127 WeakPolarHBondContact O-CG 3.23Å; D123-R127 PolarHBondContact O-NE 2.82Å
124K86.8Confident88.1Confident137 Ų13749.4 Ų49.460%0.59621%0.213SC*.Hα-helixtrans-77.7-35.4-179.4-173.3179.4179.3-177.10111.7R122 K128R122-K124 PolarHBondContact O-N 2.96Å; K124-K128 WeakPolarHBondContact O-CG 3.49Å; K124-K128 PolarHBondContact O-N 2.71Å; K124-K128 VanDerWaalsContact O-N 3.08Å
125Q87.1Confident88.2Confident118 Ų11848.9 Ų48.955%0.55121%0.211SC*.Hα-helixtrans-70.2-49-176-65.3-62.9-600110.3D123 R127 K128 T129D123-Q125 PolarHBondContact OD1-N 2.87Å; Q125-R127 VanDerWaalsContact C-N 3.27Å; Q125-R127 PolarHBondContact O-N 3.48Å; Q125-K128 WeakPolarHBondContact O-CB 3.35Å; Q125-K128 PolarHBondContact O-N 3.12Å; Q125-T129 PolarHBondContact O-N 3.28Å; Q125-T129 PolarHBondContact O-OG1 3.2Å; Q125-T129 VanDerWaalsContact O-OG1 3.06Å
126V87.7Confident88.2Confident3 Ų351.1 Ų51.12%0.01823%0.226CC..Hα-helixtrans-51.4-46.9174.7171.40000111.5R90 M91 L94 D123 T129 L130R90-V126 HydrophobicContact CG-CG2 4.27Å; M91-V126 HydrophobicContact SD-CB 4.38Å; M91-V126 HydrophobicContact SD-CG2 3.55Å; M91-V126 VanDerWaalsContact SD-CG2 3.55Å; L94-V126 HydrophobicContact CD2-CB 4.48Å; L94-V126 HydrophobicContact CD2-CG1 4.01Å; D123-V126 HydrophobicContact CB-CB 4.08Å; D123-V126 HydrophobicContact CB-CG2 3.91Å; D123-V126 WeakPolarHBondContact OD2-CG2 3.46Å; V126-T129 PolarHBondContact O-N 2.93Å; V126-L130 HydrophobicContact CG1-CD1 3.8Å; V126-L130 HydrophobicContact CG1-CG 4.44Å; V126-L130 VanDerWaalsContact O-CB 3.29Å; V126-L130 WeakPolarHBondContact O-CB 3.15Å; V126-L130 WeakPolarHBondContact O-CG 3.28Å; V126-L130 PolarHBondContact O-N 3.3Å
127R88.7Confident88.2Confident42 Ų4250.9 Ų50.916%0.15823%0.225CC..Hα-helixtrans-64.5-41.7179-68-173.4-77.2166.4-10.9112.3Y119 R122 D123 Q125 R131Y119-R127 HydrophobicContact CD1-CB 4.14Å; Y119-R127 HydrophobicContact CD1-CG 3.87Å; Y119-R127 HydrophobicContact CE1-CB 4.2Å; Y119-R127 HydrophobicContact CE1-CG 4.41Å; R122-R127 PolarHBondContact O-NH2 2.85Å; D123-R127 VanDerWaalsContact O-CG 3.25Å; D123-R127 WeakPolarHBondContact O-CG 3.23Å; D123-R127 PolarHBondContact O-NE 2.82Å; Q125-R127 VanDerWaalsContact C-N 3.27Å; Q125-R127 PolarHBondContact O-N 3.48Å; R127-R131 WeakPolarHBondContact O-CB 3.49Å; R127-R131 PolarHBondContact O-N 3.03Å
128K88.9Confident88.3Confident68 Ų6846.6 Ų46.630%0.29621%0.206SC..Hα-helixtrans-61.9-48.4174.5-74.7-173.2172.2-163.50110.9K124 Q125 R131 H132K124-K128 WeakPolarHBondContact O-CG 3.49Å; K124-K128 PolarHBondContact O-N 2.71Å; K124-K128 VanDerWaalsContact O-N 3.08Å; Q125-K128 WeakPolarHBondContact O-CB 3.35Å; Q125-K128 PolarHBondContact O-N 3.12Å; K128-R131 PolarHBondContact O-N 3.29Å; K128-H132 PolarHBondContact O-N 3.1Å; K128-H132 VanDerWaalsContact O-N 3.08Å; K128-H132 PolarHBondContact O-ND1 3.42Å
129T90.5Very high88.4Confident47 Ų4749.8 Ų49.829%0.28822%0.22SC..Hα-helixtrans-64.3-43.8-178.7-48.50000111.4M91 L94 M98 Q125 V126 R131 H132 F133M91-T129 HydrophobicContact CE-CG2 4.16Å; L94-T129 HydrophobicContact CD2-CG2 4.5Å; M98-T129 HydrophobicContact CE-CG2 3.68Å; M98-T129 HydrophobicContact SD-CG2 3.96Å; Q125-T129 PolarHBondContact O-N 3.28Å; Q125-T129 PolarHBondContact O-OG1 3.2Å; Q125-T129 VanDerWaalsContact O-OG1 3.06Å; V126-T129 PolarHBondContact O-N 2.93Å; T129-R131 VanDerWaalsContact C-N 3.32Å; T129-R131 PolarHBondContact O-N 2.67Å; T129-H132 PolarHBondContact O-N 2.63Å; T129-F133 VanDerWaalsContact O-CB 3.27Å; T129-F133 WeakPolarHBondContact O-CB 3.45Å; T129-F133 PolarHBondContact O-N 3.46Å
130L91.5Very high88.5Confident0 Ų054.2 Ų54.20%024%0.237CC..Hα-helixtrans-57.9-42.2173.6-84.2170.6000112.4L94 M98 A115 L118 Y119 V126 F133 L134L94-L130 HydrophobicContact CD1-CD1 4.18Å; L94-L130 HydrophobicContact CD1-CD2 3.52Å; L94-L130 HydrophobicContact CD1-CG 3.75Å; L94-L130 HydrophobicContact CD2-CG 4.27Å; M98-L130 HydrophobicContact CE-CD2 3.97Å; M98-L130 HydrophobicContact CE-CG 4.21Å; A115-L130 HydrophobicContact CB-CD2 4Å; L118-L130 HydrophobicContact CB-CD1 3.76Å; L118-L130 HydrophobicContact CD1-CD1 4.49Å; Y119-L130 HydrophobicContact CE1-CB 3.84Å; Y119-L130 HydrophobicContact CE1-CD1 4.42Å; Y119-L130 VanDerWaalsContact OH-C 3.25Å; V126-L130 HydrophobicContact CG1-CD1 3.8Å; V126-L130 HydrophobicContact CG1-CG 4.44Å; V126-L130 VanDerWaalsContact O-CB 3.29Å; V126-L130 WeakPolarHBondContact O-CB 3.15Å; V126-L130 WeakPolarHBondContact O-CG 3.28Å; V126-L130 PolarHBondContact O-N 3.3Å; L130-F133 PolarHBondContact O-N 2.89Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.35Å
131R90.6Very high88.5Confident21 Ų2148.8 Ų48.88%0.07922%0.218CC..Hα-helixtrans-64.6-48.4179.5-175.117856.9-120.50.5111.8Y119 R127 K128 T129 F133 L134 V135 E172 I176 M224Y119-R131 WeakPolarHBondContact OH-CA 3.47Å; Y119-R131 PolarHBondContact OH-N 3.23Å; R127-R131 WeakPolarHBondContact O-CB 3.49Å; R127-R131 PolarHBondContact O-N 3.03Å; K128-R131 PolarHBondContact O-N 3.29Å; T129-R131 VanDerWaalsContact C-N 3.32Å; T129-R131 PolarHBondContact O-N 2.67Å; R131-F133 VanDerWaalsContact C-N 3.28Å; R131-F133 PolarHBondContact O-N 3.41Å; R131-L134 PolarHBondContact O-N 3.36Å; R131-V135 VanDerWaalsContact O-CG2 3.31Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.46Å; R131-V135 VanDerWaalsContact O-N 3.1Å; R131-E172 WeakPolarHBondContact CD-OE2 3.27Å; R131-E172 IonicContact CZ-OE2 2.7Å; R131-E172 IonicContact NH1-OE1 3.2Å; R131-E172 IonicContact NH1-OE2 3.48Å; R131-E172 PolarHBondContact NH1-OE2 3.42Å; R131-I176 HydrophobicContact CG-CG1 4.04Å; R131-M224 HydrophobicContact CG-CE 3.75Å; R131-M224 HydrophobicContact CG-SD 4.32Å; R131-M224 PolarHBondContact NE-SD 2.9Å
132H90.7Very high88.8Confident65 Ų6549.5 Ų49.530%0.30122%0.221SC..Hα-helixtrans-59.7-43.5175.5-71.489.7000111.1K128 T129 V135 S136 M224K128-H132 PolarHBondContact O-N 3.1Å; K128-H132 VanDerWaalsContact O-N 3.08Å; K128-H132 PolarHBondContact O-ND1 3.42Å; T129-H132 PolarHBondContact O-N 2.63Å; H132-V135 PolarHBondContact O-N 3.24Å; H132-S136 VanDerWaalsContact O-CB 3.27Å; H132-S136 WeakPolarHBondContact O-CB 3.12Å; H132-S136 PolarHBondContact O-N 3.01Å; H132-S136 PolarHBondContact O-OG 3.05Å; H132-M224 PolarHBondContact CE1-SD 3.02Å; H132-M224 PolarHBondContact NE2-SD 3.03Å
133F91.7Very high89.1Confident15 Ų1547.4 Ų47.47%0.06622%0.218CC..Hα-helixtrans-59.3-53.5178.6170.5-106.5000112.1F97 M98 R101 T129 L130 R131 V135 S136 D137F97-F133 HydrophobicContact CE1-CE1 4.25Å; M98-F133 HydrophobicContact CB-CD2 3.7Å; M98-F133 HydrophobicContact CB-CE2 3.6Å; M98-F133 HydrophobicContact CB-CG 4.26Å; M98-F133 HydrophobicContact CB-CZ 4.08Å; M98-F133 HydrophobicContact CE-CB 3.67Å; M98-F133 HydrophobicContact CE-CD1 4.32Å; M98-F133 HydrophobicContact CE-CG 4Å; M98-F133 HydrophobicContact CG-CB 4.21Å; M98-F133 HydrophobicContact CG-CD1 3.88Å; M98-F133 HydrophobicContact CG-CD2 3.55Å; M98-F133 HydrophobicContact CG-CE1 4.11Å; M98-F133 HydrophobicContact CG-CE2 3.8Å; M98-F133 HydrophobicContact CG-CG 3.58Å; M98-F133 HydrophobicContact CG-CZ 4.06Å; M98-F133 WeakPolarHBondContact O-CE2 3.45Å; M98-F133 HydrophobicContact SD-CB 3.96Å; M98-F133 HydrophobicContact SD-CD2 4.14Å; M98-F133 HydrophobicContact SD-CG 4Å; R101-F133 HydrophobicContact CB-CZ 3.77Å; R101-F133 HydrophobicContact CG-CE1 4.31Å; R101-F133 HydrophobicContact CG-CE2 4.48Å; R101-F133 HydrophobicContact CG-CZ 3.57Å; T129-F133 VanDerWaalsContact O-CB 3.27Å; T129-F133 WeakPolarHBondContact O-CB 3.45Å; T129-F133 PolarHBondContact O-N 3.46Å; L130-F133 PolarHBondContact O-N 2.89Å; R131-F133 VanDerWaalsContact C-N 3.28Å; R131-F133 PolarHBondContact O-N 3.41Å; F133-V135 VanDerWaalsContact C-N 3.35Å; F133-V135 PolarHBondContact O-N 2.85Å; F133-S136 WeakPolarHBondContact CA-OG 3.31Å; F133-S136 PolarHBondContact O-N 3.28Å; F133-S136 PolarHBondContact O-OG 3.43Å; F133-D137 WeakPolarHBondContact O-CB 3.42Å; F133-D137 PolarHBondContact O-N 3.13Å
134L91.8Very high88.8Confident2 Ų252.1 Ų52.11%0.0125%0.253CS..Hα-helixtrans-60.3-43.1-180-72.6179.5000112.2V112 A115 F116 Y119 L130 R131 S136 D137 I138 I176V112-L134 HydrophobicContact CG2-CD2 4.13Å; A115-L134 HydrophobicContact CB-CD1 3.8Å; A115-L134 HydrophobicContact CB-CD2 4.01Å; A115-L134 HydrophobicContact CB-CG 4.19Å; F116-L134 HydrophobicContact CE2-CD1 4.23Å; Y119-L134 HydrophobicContact CE2-CD1 3.9Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.35Å; R131-L134 PolarHBondContact O-N 3.36Å; L134-S136 VanDerWaalsContact C-N 3.35Å; L134-S136 PolarHBondContact O-N 3.03Å; L134-D137 PolarHBondContact O-N 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 2.94Å; L134-I176 HydrophobicContact CD1-CD1 3.67Å
135V91.2Very high88.6Confident1 Ų153.2 Ų53.21%0.00626%0.26CS..Hα-helixtrans-63.6-42.5177.1173.10000110.8R131 H132 F133 K139 I176 C179 L180 K183 M224R131-V135 VanDerWaalsContact O-CG2 3.31Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.46Å; R131-V135 VanDerWaalsContact O-N 3.1Å; H132-V135 PolarHBondContact O-N 3.24Å; F133-V135 VanDerWaalsContact C-N 3.35Å; F133-V135 PolarHBondContact O-N 2.85Å; V135-K139 WeakPolarHBondContact O-CB 3.45Å; V135-K139 PolarHBondContact O-N 2.97Å; V135-I176 HydrophobicContact CG2-CG2 4.38Å; V135-C179 HydrophobicContact CG1-CB 4.18Å; V135-C179 HydrophobicContact CG2-CB 3.76Å; V135-L180 HydrophobicContact CG1-CD2 4.33Å; V135-K183 HydrophobicContact CG1-CD 3.94Å; V135-M224 HydrophobicContact CG2-CE 4.43Å
136S90.9Very high88.3Confident46 Ų4652.1 Ų52.132%0.32225%0.253SS..Hα-helixtrans-68-36.9177.973.70000112.8H132 F133 L134 K139 R140H132-S136 VanDerWaalsContact O-CB 3.27Å; H132-S136 WeakPolarHBondContact O-CB 3.12Å; H132-S136 PolarHBondContact O-N 3.01Å; H132-S136 PolarHBondContact O-OG 3.05Å; F133-S136 WeakPolarHBondContact CA-OG 3.31Å; F133-S136 PolarHBondContact O-N 3.28Å; F133-S136 PolarHBondContact O-OG 3.43Å; L134-S136 VanDerWaalsContact C-N 3.35Å; L134-S136 PolarHBondContact O-N 3.03Å; S136-K139 PolarHBondContact O-N 2.69Å; S136-R140 WeakPolarHBondContact O-CB 3.47Å; S136-R140 PolarHBondContact O-N 3.47Å
137D90.6Very high88.2Confident1 Ų156.6 Ų56.61%0.00527%0.274CS..Hα-helixtrans-66.6-48.5178.8-175.452.2000110.7R101 F133 L134 K139 R140 M141R101-D137 VanDerWaalsContact CZ-CG 3.49Å; R101-D137 IonicContact CZ-OD1 3.48Å; R101-D137 IonicContact CZ-OD2 3.18Å; R101-D137 IonicContact NE-OD1 2.59Å; R101-D137 PolarHBondContact NE-OD1 3.04Å; R101-D137 IonicContact NE-OD2 2.69Å; R101-D137 PolarHBondContact NE-OD2 3.36Å; R101-D137 IonicContact NH1-OD1 3.11Å; R101-D137 IonicContact NH2-OD1 3.36Å; R101-D137 PolarHBondContact NH2-OD1 3.13Å; R101-D137 IonicContact NH2-OD2 3.63Å; R101-D137 PolarHBondContact NH2-OD2 3.38Å; F133-D137 WeakPolarHBondContact O-CB 3.42Å; F133-D137 PolarHBondContact O-N 3.13Å; L134-D137 PolarHBondContact O-N 3.27Å; D137-K139 VanDerWaalsContact C-N 3.32Å; D137-K139 PolarHBondContact O-N 3.45Å; D137-R140 WeakPolarHBondContact O-CB 3.29Å; D137-R140 PolarHBondContact O-N 3.29Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-R140 IonicContact OD1-CZ 3.85Å; D137-R140 IonicContact OD1-NE 3.42Å; D137-R140 IonicContact OD1-NH2 3.55Å; D137-R140 PolarHBondContact OD1-NH2 2.97Å; D137-M141 WeakPolarHBondContact O-CG 3.32Å; D137-M141 PolarHBondContact O-N 3.45Å
138I90.1Very high88Confident3 Ų359.7 Ų59.72%0.01530%0.298CS..Hα-helixtrans-64.8-37.4176.7-64.3167.3000110.9L134 M141 N142 L180 V185 W186L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 2.94Å; I138-M141 PolarHBondContact O-N 2.87Å; I138-N142 PolarHBondContact O-N 3.31Å; I138-N142 PolarHBondContact O-ND2 3.36Å; I138-L180 HydrophobicContact CB-CD2 3.87Å; I138-L180 HydrophobicContact CD1-CD1 3.73Å; I138-L180 HydrophobicContact CD1-CD2 4.41Å; I138-L180 HydrophobicContact CG2-CD1 4.15Å; I138-L180 HydrophobicContact CG2-CD2 3.64Å; I138-V185 HydrophobicContact CG2-CG1 4.35Å; I138-W186 HydrophobicContact CD1-CH2 4.43Å; I138-W186 HydrophobicContact CD1-CZ2 4.44Å; I138-W186 HydrophobicContact CG2-CZ2 3.85Å
139K89.6Confident88Confident74 Ų7465.6 Ų65.632%0.32232%0.323SS..Hα-helixtrans-61.9-44.3172.8-175.4178.3179.5-179.60111.1V135 S136 D137 N142 K143 V185 D229V135-K139 WeakPolarHBondContact O-CB 3.45Å; V135-K139 PolarHBondContact O-N 2.97Å; S136-K139 PolarHBondContact O-N 2.69Å; D137-K139 VanDerWaalsContact C-N 3.32Å; D137-K139 PolarHBondContact O-N 3.45Å; K139-N142 PolarHBondContact O-N 2.99Å; K139-K143 PolarHBondContact O-N 2.96Å; K139-V185 HydrophobicContact CB-CG2 4.35Å; K139-V185 HydrophobicContact CG-CG2 4.23Å; K139-D229 IonicContact NZ-OD1 3.14Å
140R88.8Confident87.9Confident92 Ų9264.4 Ų64.435%0.34732%0.318SS..Hα-helixtrans-63.5-43.2177.5178.1176.358.3-122.72.4111.8T102 S136 D137 N142 K143T102-R140 PolarHBondContact OG1-NH2 3.31Å; S136-R140 WeakPolarHBondContact O-CB 3.47Å; S136-R140 PolarHBondContact O-N 3.47Å; D137-R140 WeakPolarHBondContact O-CB 3.29Å; D137-R140 PolarHBondContact O-N 3.29Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-R140 IonicContact OD1-CZ 3.85Å; D137-R140 IonicContact OD1-NE 3.42Å; D137-R140 IonicContact OD1-NH2 3.55Å; D137-R140 PolarHBondContact OD1-NH2 2.97Å; R140-N142 PolarHBondContact O-N 3.46Å; R140-K143 PolarHBondContact O-N 3.41Å
141M86.6Confident87.9Confident23 Ų2365 Ų6511%0.11332%0.321CS..Hα-helixtrans-58.6-34.3177-72.7175.271.100112.8R101 A108 D137 I138 A150R101-M141 PolarHBondContact NH2-SD 3.37Å; A108-M141 HydrophobicContact CB-CE 3.55Å; A108-M141 HydrophobicContact CB-SD 3.57Å; A108-M141 VanDerWaalsContact CB-SD 3.57Å; D137-M141 WeakPolarHBondContact O-CG 3.32Å; D137-M141 PolarHBondContact O-N 3.45Å; I138-M141 PolarHBondContact O-N 2.87Å; M141-A150 HydrophobicContact CE-CB 4.08Å
142N87.4Confident87.9Confident21 Ų2165.4 Ų65.411%0.11233%0.329CS..THydrogen-bonded Turntrans-100.511.7-176.2-64.7-62.2000113.5I138 K139 R140 K146 Q147 N151 V185I138-N142 PolarHBondContact O-N 3.31Å; I138-N142 PolarHBondContact O-ND2 3.36Å; K139-N142 PolarHBondContact O-N 2.99Å; R140-N142 PolarHBondContact O-N 3.46Å; N142-K146 WeakPolarHBondContact OD1-CA 3.25Å; N142-Q147 PolarHBondContact OD1-N 2.82Å; N142-Q147 VanDerWaalsContact OD1-N 3.07Å; N142-N151 PolarHBondContact OD1-ND2 3.39Å; N142-V185 HydrophobicContact CB-CG1 3.79Å
143K85.2Confident88Confident182 Ų18266.3 Ų66.379%0.79134%0.339SS*.SBendtrans-68-40.8-178.3-170.8-177.9178.1-172.90112.6K139 R140K139-K143 PolarHBondContact O-N 2.96Å; R140-K143 PolarHBondContact O-N 3.41Å
144C77.6Confident88Confident134 Ų13465.8 Ų65.891%0.90534%0.337SS*.SBendtrans-92.2-54.3-179.7-54.80000111.6
145Q83.4Confident88.1Confident160 Ų16066.2 Ų66.275%0.74834%0.339SS*.SBendtrans-142.3143.3-179.6-170.6-178.916.800109.6Q147Q145-Q147 PolarHBondContact O-N 3.19Å
146K82Confident88.2Confident94 Ų9469.1 Ų69.141%0.40936%0.36SS..  trans-67.8116.4176.2-70.3-176.6172.6-175.30110.4N142 T148 N187N142-K146 WeakPolarHBondContact OD1-CA 3.25Å; K146-T148 VanDerWaalsContact C-N 3.33Å; K146-T148 PolarHBondContact O-N 3.38Å; K146-N187 PolarHBondContact NZ-OD1 2.98Å
147Q83.9Confident88.2Confident97 Ų9769 Ų6945%0.45335%0.353SS..  trans-79.977.6175.7-67.7-166.7300111.4N142 Q145 K149 A150 N151N142-Q147 PolarHBondContact OD1-N 2.82Å; N142-Q147 VanDerWaalsContact OD1-N 3.07Å; Q145-Q147 PolarHBondContact O-N 3.19Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3.25Å; Q147-A150 HydrophobicContact CB-CB 4.28Å; Q147-A150 PolarHBondContact O-N 2.95Å; Q147-N151 WeakPolarHBondContact O-CB 3.45Å; Q147-N151 PolarHBondContact O-N 3.23Å; Q147-N151 PolarHBondContact O-ND2 2.92Å
148T85.9Confident88.3Confident108 Ų10869 Ų6966%0.66335%0.354SS*.Hα-helixtrans-55.5-42.5-172.2-49.30000113.7K146 A152K146-T148 VanDerWaalsContact C-N 3.33Å; K146-T148 PolarHBondContact O-N 3.38Å; T148-A152 WeakPolarHBondContact O-CB 3.46Å; T148-A152 PolarHBondContact O-N 3.42Å
149K88.5Confident88.4Confident191 Ų19170.3 Ų70.383%0.8336%0.363SS*.Hα-helixtrans-63.7-50.9-178.9-66.3-176.6-178.9178.80112Q147 A152 V153Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-K149 PolarHBondContact O-N 3.25Å; K149-A152 PolarHBondContact O-N 3.27Å; K149-V153 WeakPolarHBondContact O-CG2 3.4Å; K149-V153 PolarHBondContact O-N 3.19Å
150A87.8Confident88.6Confident22 Ų2274.1 Ų74.118%0.18238%0.379CS..Hα-helixtrans-64.1-43.917900000111.2M141 Q147 A152 V153 I154M141-A150 HydrophobicContact CE-CB 4.08Å; Q147-A150 HydrophobicContact CB-CB 4.28Å; Q147-A150 PolarHBondContact O-N 2.95Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.85Å; A150-V153 PolarHBondContact O-N 3.48Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.4Å
151N91.1Very high88.7Confident12 Ų1271.8 Ų71.86%0.06437%0.373CS..Hα-helixtrans-60.4-41.2177.9-66.6-21.4000111.8N142 Q147 I154 L155 W186N142-N151 PolarHBondContact OD1-ND2 3.39Å; Q147-N151 WeakPolarHBondContact O-CB 3.45Å; Q147-N151 PolarHBondContact O-N 3.23Å; Q147-N151 PolarHBondContact O-ND2 2.92Å; N151-I154 PolarHBondContact O-N 3.37Å; N151-L155 VanDerWaalsContact O-CB 3.23Å; N151-L155 WeakPolarHBondContact O-CB 3.25Å; N151-L155 PolarHBondContact O-N 2.99Å; N151-W186 HydrophobicContact CB-CZ2 3.96Å; N151-W186 PolarHBondContact ND2-NE1 3.37Å; N151-W186 PolarHBondContact OD1-NE1 3.42Å
152A91.5Very high88.9Confident30 Ų3071 Ų7125%0.24837%0.369CS..Hα-helixtrans-64.9-39.217800000113.1T148 K149 A150 S156T148-A152 WeakPolarHBondContact O-CB 3.46Å; T148-A152 PolarHBondContact O-N 3.42Å; K149-A152 PolarHBondContact O-N 3.27Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.85Å; A152-S156 WeakPolarHBondContact O-CB 3.25Å; A152-S156 PolarHBondContact O-N 3.01Å; A152-S156 PolarHBondContact O-OG 3Å
153V92.6Very high89Confident85 Ų8577.1 Ų77.152%0.51540%0.395SS..Hα-helixtrans-67.7-46.2175.5175.60000110.5T109 K149 A150 L155 S156 F157T109-V153 HydrophobicContact CG2-CB 4.47Å; T109-V153 HydrophobicContact CG2-CG1 3.98Å; K149-V153 WeakPolarHBondContact O-CG2 3.4Å; K149-V153 PolarHBondContact O-N 3.19Å; A150-V153 PolarHBondContact O-N 3.48Å; V153-L155 PolarHBondContact O-N 3.11Å; V153-S156 PolarHBondContact O-N 2.78Å; V153-F157 WeakPolarHBondContact O-CB 3.35Å; V153-F157 PolarHBondContact O-N 3.22Å
154I92.4Very high89.1Confident4 Ų470.5 Ų70.52%0.02137%0.368CS..Hα-helixtrans-62.7-43.2178.2-65166.6000110.4A108 V112 A150 N151 F157 L158 W186A108-I154 HydrophobicContact CB-CD1 4.5Å; V112-I154 HydrophobicContact CG1-CG2 4.33Å; V112-I154 HydrophobicContact CG2-CD1 4.35Å; V112-I154 HydrophobicContact CG2-CG1 4.34Å; V112-I154 HydrophobicContact CG2-CG2 4.17Å; A150-I154 WeakPolarHBondContact O-CG1 3.24Å; A150-I154 PolarHBondContact O-N 3.4Å; N151-I154 PolarHBondContact O-N 3.37Å; I154-F157 WeakPolarHBondContact O-CB 3.46Å; I154-F157 PolarHBondContact O-N 2.8Å; I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 HydrophobicContact CG2-CG 4.3Å; I154-L158 VanDerWaalsContact O-CG 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.42Å; I154-L158 PolarHBondContact O-N 2.98Å; I154-W186 HydrophobicContact CB-CH2 4.27Å; I154-W186 HydrophobicContact CG2-CH2 3.82Å
155L92.4Very high89.5Confident10 Ų1072 Ų725%0.05237%0.367CS..Hα-helixtrans-63.3-43.4177.9-17962.2000112N151 V153 F157 L158 S159 L177 W186 R190 T191 V194N151-L155 VanDerWaalsContact O-CB 3.23Å; N151-L155 WeakPolarHBondContact O-CB 3.25Å; N151-L155 PolarHBondContact O-N 2.99Å; V153-L155 PolarHBondContact O-N 3.11Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 2.78Å; L155-L158 PolarHBondContact O-N 2.89Å; L155-S159 PolarHBondContact O-N 3.25Å; L155-L177 HydrophobicContact CD1-CD2 3.67Å; L155-W186 HydrophobicContact CB-CZ3 4.5Å; L155-W186 HydrophobicContact CD1-CZ3 4.28Å; L155-R190 HydrophobicContact CD2-CB 4.19Å; L155-R190 HydrophobicContact CD2-CG 3.74Å; L155-T191 HydrophobicContact CD1-CG2 3.89Å; L155-T191 HydrophobicContact CD2-CG2 3.62Å; L155-T191 HydrophobicContact CG-CG2 4.38Å; L155-V194 HydrophobicContact CD1-CB 4.45Å; L155-V194 HydrophobicContact CD1-CG2 4.2Å
156S93.3Very high89.7Confident62 Ų6266 Ų6643%0.43434%0.343SS..Hα-helixtrans-60.6-40.2174.4-61.40000111.5A152 V153 K160A152-S156 WeakPolarHBondContact O-CB 3.25Å; A152-S156 PolarHBondContact O-N 3.01Å; A152-S156 PolarHBondContact O-OG 3Å; V153-S156 PolarHBondContact O-N 2.78Å; S156-K160 WeakPolarHBondContact O-CG 3.48Å; S156-K160 PolarHBondContact O-N 3.38Å
157F92.6Very high90.1Very high43 Ų4363.4 Ų63.419%0.18934%0.337CS..Hα-helixtrans-64.2-45.3174.2179.1-93.2000111.9V112 D113 F116 V153 I154 L155 S159 K160 M161V112-F157 HydrophobicContact CG1-CD1 3.69Å; V112-F157 HydrophobicContact CG1-CE1 3.74Å; D113-F157 HydrophobicContact CB-CE2 4.31Å; D113-F157 HydrophobicContact CB-CZ 4.14Å; F116-F157 HydrophobicContact CB-CE1 3.95Å; F116-F157 HydrophobicContact CB-CZ 4.09Å; F116-F157 HydrophobicContact CD2-CD1 4.45Å; F116-F157 AromaticContact CD2-CE1 3.65Å; F116-F157 HydrophobicContact CD2-CE1 3.65Å; F116-F157 HydrophobicContact CE2-CE1 4.36Å; F116-F157 AromaticContact CG-CE1 3.8Å; F116-F157 HydrophobicContact CG-CE1 3.8Å; F116-F157 HydrophobicContact CG-CZ 4.43Å; V153-F157 WeakPolarHBondContact O-CB 3.35Å; V153-F157 PolarHBondContact O-N 3.22Å; I154-F157 WeakPolarHBondContact O-CB 3.46Å; I154-F157 PolarHBondContact O-N 2.8Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 2.78Å; F157-S159 PolarHBondContact O-N 3.39Å; F157-K160 WeakPolarHBondContact O-CB 3.44Å; F157-K160 PolarHBondContact O-N 3.14Å; F157-K160 VanDerWaalsContact O-N 3.16Å; F157-M161 HydrophobicContact CD1-CG 3.99Å; F157-M161 HydrophobicContact CD2-CE 4.21Å; F157-M161 HydrophobicContact CE1-CE 4.18Å; F157-M161 HydrophobicContact CE1-CG 3.58Å; F157-M161 HydrophobicContact CE1-SD 4.39Å; F157-M161 HydrophobicContact CE2-CE 3.46Å; F157-M161 VanDerWaalsContact CE2-CE 3.46Å; F157-M161 HydrophobicContact CE2-CG 4.46Å; F157-M161 HydrophobicContact CZ-CE 3.44Å; F157-M161 VanDerWaalsContact CZ-CE 3.44Å; F157-M161 HydrophobicContact CZ-CG 3.85Å; F157-M161 HydrophobicContact CZ-SD 4.1Å; F157-M161 WeakPolarHBondContact O-CG 3.19Å; F157-M161 PolarHBondContact O-N 3.48Å
158L92.4Very high90.3Very high2 Ų260.7 Ų60.71%0.0133%0.327CS..Hα-helixtrans-61.2-42.6176.6-71.1172.2000111.7F116 I154 L155 K160 M161 I162 A173 L177 W186F116-L158 HydrophobicContact CE1-CD2 4.16Å; F116-L158 HydrophobicContact CE2-CD2 3.45Å; F116-L158 VanDerWaalsContact CE2-CD2 3.45Å; F116-L158 HydrophobicContact CZ-CD2 3.19Å; I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 HydrophobicContact CG2-CG 4.3Å; I154-L158 VanDerWaalsContact O-CG 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.42Å; I154-L158 PolarHBondContact O-N 2.98Å; L155-L158 PolarHBondContact O-N 2.89Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 2.87Å; L158-M161 PolarHBondContact O-N 2.82Å; L158-M161 VanDerWaalsContact O-N 3.11Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.21Å; L158-I162 PolarHBondContact O-N 2.72Å; L158-A173 HydrophobicContact CD2-CB 4.35Å; L158-L177 HydrophobicContact CD1-CD2 3.67Å; L158-L177 HydrophobicContact CD1-CG 4.09Å; L158-W186 HydrophobicContact CD1-CH2 4.19Å; L158-W186 HydrophobicContact CD1-CZ3 3.95Å
159S91.6Very high90.6Very high30 Ų3055.6 Ų55.621%0.2130%0.295CS..Hα-helixtrans-58.4-38.8175-177.90000112.2L155 F157L155-S159 PolarHBondContact O-N 3.25Å; F157-S159 PolarHBondContact O-N 3.39Å
160K92.9Very high90.8Very high154 Ų15446.5 Ų46.567%0.6726%0.256SS*.Hα-helixtrans-66.6-44.5172.6-68.5175.7-177.9-176.30111.9S156 F157 L158 I162 K163 D164S156-K160 WeakPolarHBondContact O-CG 3.48Å; S156-K160 PolarHBondContact O-N 3.38Å; F157-K160 WeakPolarHBondContact O-CB 3.44Å; F157-K160 PolarHBondContact O-N 3.14Å; F157-K160 VanDerWaalsContact O-N 3.16Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 2.87Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 3.41Å; K160-K163 PolarHBondContact O-N 2.91Å; K160-K163 VanDerWaalsContact O-N 3.13Å; K160-D164 PolarHBondContact O-N 3.14Å
161M91Very high90.9Very high43 Ų4349.6 Ų49.621%0.21226%0.263CS..Hα-helixtrans-67.4-28.1-179.3-68.8-61.3141.500113.6F116 F157 L158 K163 D164 V169 A173F116-M161 HydrophobicContact CB-SD 4.46Å; F116-M161 HydrophobicContact CD1-CB 4.05Å; F116-M161 HydrophobicContact CD1-CG 3.9Å; F116-M161 HydrophobicContact CD1-SD 4.43Å; F116-M161 HydrophobicContact CE1-CB 4.16Å; F116-M161 HydrophobicContact CE1-CG 4.41Å; F116-M161 HydrophobicContact CG-CG 4.22Å; F157-M161 HydrophobicContact CD1-CG 3.99Å; F157-M161 HydrophobicContact CD2-CE 4.21Å; F157-M161 HydrophobicContact CE1-CE 4.18Å; F157-M161 HydrophobicContact CE1-CG 3.58Å; F157-M161 HydrophobicContact CE1-SD 4.39Å; F157-M161 HydrophobicContact CE2-CE 3.46Å; F157-M161 VanDerWaalsContact CE2-CE 3.46Å; F157-M161 HydrophobicContact CE2-CG 4.46Å; F157-M161 HydrophobicContact CZ-CE 3.44Å; F157-M161 VanDerWaalsContact CZ-CE 3.44Å; F157-M161 HydrophobicContact CZ-CG 3.85Å; F157-M161 HydrophobicContact CZ-SD 4.1Å; F157-M161 WeakPolarHBondContact O-CG 3.19Å; F157-M161 PolarHBondContact O-N 3.48Å; L158-M161 PolarHBondContact O-N 2.82Å; L158-M161 VanDerWaalsContact O-N 3.11Å; M161-K163 VanDerWaalsContact C-N 3.25Å; M161-K163 PolarHBondContact O-N 3.25Å; M161-D164 VanDerWaalsContact O-CB 3.26Å; M161-D164 WeakPolarHBondContact O-CB 3.42Å; M161-D164 PolarHBondContact O-N 3.31Å; M161-V169 HydrophobicContact SD-CG1 4.4Å; M161-A173 HydrophobicContact CB-CB 4.38Å
162I91.4Very high90.9Very high7 Ų749.1 Ų49.14%0.03626%0.26CS..Hα-helixtrans-63.5-36.1173.2-71.5163.7000110.6L158 K160 D164 A170 A173 V174 L177 V194 M201L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.21Å; L158-I162 PolarHBondContact O-N 2.72Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 3.41Å; I162-D164 VanDerWaalsContact C-N 3.28Å; I162-D164 PolarHBondContact O-N 2.62Å; I162-A170 WeakPolarHBondContact O-CB 3.22Å; I162-A173 HydrophobicContact CG1-CB 3.66Å; I162-V174 HydrophobicContact CD1-CG2 4.2Å; I162-V174 HydrophobicContact CG1-CG2 4.01Å; I162-V174 HydrophobicContact CG2-CG2 4.39Å; I162-L177 HydrophobicContact CD1-CD1 3.53Å; I162-V194 HydrophobicContact CD1-CG1 3.73Å; I162-M201 HydrophobicContact CG2-CE 4.38Å; I162-M201 HydrophobicContact CG2-SD 3.27Å; I162-M201 WeakPolarHBondContact CG2-SD 3.27Å; I162-M201 WeakPolarHBondContact O-CE 3.5Å; I162-M201 VanDerWaalsContact O-SD 3.37Å
163K88.9Confident90.9Very high149 Ų14947.7 Ų47.765%0.64825%0.248SC*.THydrogen-bonded Turntrans-81.80.2177.4-61178.1-176.7179.20113.7K160 M161K160-K163 PolarHBondContact O-N 2.91Å; K160-K163 VanDerWaalsContact O-N 3.13Å; M161-K163 VanDerWaalsContact C-N 3.25Å; M161-K163 PolarHBondContact O-N 3.25Å
164D87.5Confident90.9Very high44 Ų4443.7 Ų43.724%0.23522%0.224CC..SBendtrans-66.4149.1177.2-167.710.8000110.9R120 K160 M161 I162 S166R120-D164 IonicContact NH2-OD2 2.83Å; K160-D164 PolarHBondContact O-N 3.14Å; M161-D164 VanDerWaalsContact O-CB 3.26Å; M161-D164 WeakPolarHBondContact O-CB 3.42Å; M161-D164 PolarHBondContact O-N 3.31Å; I162-D164 VanDerWaalsContact C-N 3.28Å; I162-D164 PolarHBondContact O-N 2.62Å; D164-S166 PolarHBondContact O-N 3.48Å
165N86Confident90.9Very high165 Ų16543.9 Ų43.988%0.88223%0.225SC*.SBendtrans-65.2-24-178.9-69.1-34.1000112.2S167N165-S167 PolarHBondContact O-N 2.97Å
166S89Confident90.8Very high35 Ų3543.5 Ų43.525%0.24522%0.223CC..  trans-75.6108.9-178.5-175.50000112.3D164 T168 V169 A170D164-S166 PolarHBondContact O-N 3.48Å; S166-T168 PolarHBondContact O-N 3.42Å; S166-T168 VanDerWaalsContact O-N 3.1Å; S166-T168 PolarHBondContact OG-OG1 3.28Å; S166-V169 PolarHBondContact O-N 3.03Å; S166-V169 VanDerWaalsContact O-N 3.14Å; S166-V169 WeakPolarHBondContact OG-CG2 3.26Å; S166-A170 PolarHBondContact O-N 2.79Å
167S89.2Confident90.7Very high39 Ų3940.7 Ų40.727%0.27320%0.204SC..Hα-helixtrans-55.1-30.2177.867.60000114.8N165 R171 N203N165-S167 PolarHBondContact O-N 2.97Å; S167-R171 WeakPolarHBondContact O-CB 3.45Å; S167-R171 PolarHBondContact O-N 3.1Å; S167-N203 WeakPolarHBondContact CA-ND2 3.29Å; S167-N203 WeakPolarHBondContact CB-ND2 3.34Å
168T89Confident90.7Very high39 Ų3938.7 Ų38.724%0.23920%0.195CC..Hα-helixtrans-77-42.5-179.853.80000111.2S166 R171 E172S166-T168 PolarHBondContact O-N 3.42Å; S166-T168 VanDerWaalsContact O-N 3.1Å; S166-T168 PolarHBondContact OG-OG1 3.28Å; T168-R171 PolarHBondContact O-N 2.91Å; T168-E172 WeakPolarHBondContact O-CG 3.33Å; T168-E172 PolarHBondContact O-N 3.08Å
169V91.2Very high90.5Very high1 Ų139 Ų391%0.00620%0.197CC..Hα-helixtrans-66.5-48.1-179.4-179.10000110F116 R120 M161 S166 R171 E172 A173F116-V169 HydrophobicContact CD1-CG1 3.72Å; F116-V169 HydrophobicContact CE1-CG1 4.31Å; R120-V169 HydrophobicContact CG-CG2 3.91Å; M161-V169 HydrophobicContact SD-CG1 4.4Å; S166-V169 PolarHBondContact O-N 3.03Å; S166-V169 VanDerWaalsContact O-N 3.14Å; S166-V169 WeakPolarHBondContact OG-CG2 3.26Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.13Å; V169-E172 PolarHBondContact O-N 2.94Å; V169-A173 PolarHBondContact O-N 3.38Å
170A92.4Very high90.4Very high1 Ų137.5 Ų37.51%0.00819%0.187CC..Hα-helixtrans-59.2-40.417700000112I162 S166 A173 V174 V206I162-A170 WeakPolarHBondContact O-CB 3.22Å; S166-A170 PolarHBondContact O-N 2.79Å; A170-A173 PolarHBondContact O-N 3.26Å; A170-V174 PolarHBondContact O-N 2.91Å; A170-V174 VanDerWaalsContact O-N 3.12Å; A170-V206 HydrophobicContact CB-CG2 3.65Å
171R90.6Very high90.2Very high87 Ų8730.2 Ų30.233%0.32816%0.155SC..Hα-helixtrans-62.7-48176-175.6-174.696.212710.4112S167 T168 V169 A173 V174 L175 K205S167-R171 WeakPolarHBondContact O-CB 3.45Å; S167-R171 PolarHBondContact O-N 3.1Å; T168-R171 PolarHBondContact O-N 2.91Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.13Å; R171-A173 VanDerWaalsContact C-N 3.31Å; R171-V174 PolarHBondContact O-N 3.01Å; R171-L175 HydrophobicContact CG-CD1 4.08Å; R171-L175 HydrophobicContact CG-CG 4.45Å; R171-L175 WeakPolarHBondContact O-CG 3.39Å; R171-L175 PolarHBondContact O-N 3.26Å; R171-K205 WeakPolarHBondContact CG-O 3.4Å
172E90.6Very high89.9Confident1 Ų128.7 Ų28.71%0.00515%0.147CC..Hα-helixtrans-67.3-34.2-179.5-62.7-58.3146.100111.4Y119 R131 T168 V169 L175 I176Y119-E172 HydrophobicContact CD1-CB 3.94Å; Y119-E172 HydrophobicContact CD1-CG 3.72Å; Y119-E172 HydrophobicContact CD2-CB 4.26Å; Y119-E172 HydrophobicContact CE1-CB 3.96Å; Y119-E172 HydrophobicContact CE1-CG 3.89Å; Y119-E172 HydrophobicContact CE2-CB 4.31Å; Y119-E172 HydrophobicContact CG-CB 4.15Å; Y119-E172 HydrophobicContact CG-CG 4.3Å; R131-E172 WeakPolarHBondContact CD-OE2 3.27Å; R131-E172 IonicContact CZ-OE2 2.7Å; R131-E172 IonicContact NH1-OE1 3.2Å; R131-E172 IonicContact NH1-OE2 3.48Å; R131-E172 PolarHBondContact NH1-OE2 3.42Å; T168-E172 WeakPolarHBondContact O-CG 3.33Å; T168-E172 PolarHBondContact O-N 3.08Å; V169-E172 PolarHBondContact O-N 2.94Å; E172-L175 PolarHBondContact O-N 3.42Å; E172-I176 WeakPolarHBondContact O-CD1 3.48Å; E172-I176 VanDerWaalsContact O-CG1 3.25Å; E172-I176 WeakPolarHBondContact O-CG1 3.47Å; E172-I176 PolarHBondContact O-N 2.98Å
173A92.9Very high89.5Confident0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-57.8-50.2172.400000112.1F116 L158 M161 I162 V169 A170 R171 I176 L177F116-A173 HydrophobicContact CE1-CB 3.72Å; F116-A173 HydrophobicContact CZ-CB 4.07Å; L158-A173 HydrophobicContact CD2-CB 4.35Å; M161-A173 HydrophobicContact CB-CB 4.38Å; I162-A173 HydrophobicContact CG1-CB 3.66Å; V169-A173 PolarHBondContact O-N 3.38Å; A170-A173 PolarHBondContact O-N 3.26Å; R171-A173 VanDerWaalsContact C-N 3.31Å; A173-I176 PolarHBondContact O-N 3.44Å; A173-L177 PolarHBondContact O-N 3.03Å; A173-L177 VanDerWaalsContact O-N 3.14Å
174V92.5Very high89.3Confident1 Ų126.3 Ų26.31%0.00614%0.14CC..Hα-helixtrans-62.2-47.5176.81720000110.7I162 A170 R171 I176 L177 L178 V206 A210I162-V174 HydrophobicContact CD1-CG2 4.2Å; I162-V174 HydrophobicContact CG1-CG2 4.01Å; I162-V174 HydrophobicContact CG2-CG2 4.39Å; A170-V174 PolarHBondContact O-N 2.91Å; A170-V174 VanDerWaalsContact O-N 3.12Å; R171-V174 PolarHBondContact O-N 3.01Å; V174-I176 VanDerWaalsContact C-N 3.28Å; V174-I176 PolarHBondContact O-N 2.91Å; V174-L177 WeakPolarHBondContact O-CB 3.45Å; V174-L177 PolarHBondContact O-N 3.24Å; V174-L177 VanDerWaalsContact O-N 3.11Å; V174-L178 HydrophobicContact CG1-CD1 3.77Å; V174-L178 HydrophobicContact CG1-CG 3.97Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 3.06Å; V174-V206 HydrophobicContact CG2-CG1 3.54Å; V174-A210 HydrophobicContact CG1-CB 4.19Å
175L91.1Very high89.2Confident9 Ų925 Ų255%0.04713%0.134CC..Hα-helixtrans-58.7-38.3179.7-72.2173.6000113R171 E172 C179 P209 L221R171-L175 HydrophobicContact CG-CD1 4.08Å; R171-L175 HydrophobicContact CG-CG 4.45Å; R171-L175 WeakPolarHBondContact O-CG 3.39Å; R171-L175 PolarHBondContact O-N 3.26Å; E172-L175 PolarHBondContact O-N 3.42Å; L175-C179 WeakPolarHBondContact O-CB 3.33Å; L175-C179 PolarHBondContact O-N 2.87Å; L175-C179 PolarHBondContact O-SG 3.08Å; L175-P209 HydrophobicContact CD2-CB 4.25Å; L175-L221 HydrophobicContact CD2-CD2 4.22Å
176I91.2Very high89.2Confident2 Ų217.5 Ų17.51%0.019%0.093CC..Hα-helixtrans-63.8-48.2175.2-68.7160.7000110.4F116 Y119 R131 L134 V135 E172 A173 V174 L178 C179 L180F116-I176 HydrophobicContact CE2-CD1 4.14Å; F116-I176 HydrophobicContact CZ-CD1 3.76Å; Y119-I176 HydrophobicContact CE2-CD1 3.96Å; R131-I176 HydrophobicContact CG-CG1 4.04Å; L134-I176 HydrophobicContact CD1-CD1 3.67Å; V135-I176 HydrophobicContact CG2-CG2 4.38Å; E172-I176 WeakPolarHBondContact O-CD1 3.48Å; E172-I176 VanDerWaalsContact O-CG1 3.25Å; E172-I176 WeakPolarHBondContact O-CG1 3.47Å; E172-I176 PolarHBondContact O-N 2.98Å; A173-I176 PolarHBondContact O-N 3.44Å; V174-I176 VanDerWaalsContact C-N 3.28Å; V174-I176 PolarHBondContact O-N 2.91Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 3.47Å; I176-C179 PolarHBondContact O-N 3.19Å; I176-L180 HydrophobicContact CG2-CD1 3.86Å; I176-L180 HydrophobicContact CG2-CG 4.42Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.25Å; I176-L180 PolarHBondContact O-N 3.26Å
177L91.8Very high89Confident3 Ų318.7 Ų18.72%0.01610%0.097CC..Hα-helixtrans-57.6-46.5176.7-74.1174.7000112L155 L158 I162 A173 V174 C179 L180 F181 W186 V194 I195L155-L177 HydrophobicContact CD1-CD2 3.67Å; L158-L177 HydrophobicContact CD1-CD2 3.67Å; L158-L177 HydrophobicContact CD1-CG 4.09Å; I162-L177 HydrophobicContact CD1-CD1 3.53Å; A173-L177 PolarHBondContact O-N 3.03Å; A173-L177 VanDerWaalsContact O-N 3.14Å; V174-L177 WeakPolarHBondContact O-CB 3.45Å; V174-L177 PolarHBondContact O-N 3.24Å; V174-L177 VanDerWaalsContact O-N 3.11Å; L177-C179 PolarHBondContact O-N 3.17Å; L177-L180 PolarHBondContact O-N 2.85Å; L177-F181 PolarHBondContact O-N 3.41Å; L177-W186 HydrophobicContact CD2-CE3 4.09Å; L177-W186 HydrophobicContact CD2-CZ3 3.77Å; L177-V194 HydrophobicContact CD1-CG1 3.67Å; L177-I195 HydrophobicContact CB-CG1 4.23Å
178L90.9Very high88.9Confident0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-61.4-42.3178.9-65.6-178.4000112.1V174 I176 F181 K182 I195 P209 F213 L221V174-L178 HydrophobicContact CG1-CD1 3.77Å; V174-L178 HydrophobicContact CG1-CG 3.97Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 3.06Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 3.47Å; L178-F181 PolarHBondContact O-N 2.7Å; L178-K182 PolarHBondContact O-N 2.91Å; L178-I195 HydrophobicContact CD2-CD1 4.02Å; L178-I195 HydrophobicContact CD2-CG1 4.16Å; L178-I195 HydrophobicContact CD2-CG2 3.62Å; L178-P209 HydrophobicContact CD1-CB 4Å; L178-P209 WeakPolarHBondContact CD1-O 3.48Å; L178-F213 HydrophobicContact CB-CD2 4.49Å; L178-F213 HydrophobicContact CD1-CB 4.03Å; L178-F213 HydrophobicContact CD2-CB 3.45Å; L178-F213 VanDerWaalsContact CD2-CB 3.45Å; L178-F213 HydrophobicContact CD2-CD1 3.58Å; L178-F213 HydrophobicContact CD2-CD2 3.85Å; L178-F213 HydrophobicContact CD2-CE1 4.31Å; L178-F213 HydrophobicContact CD2-CG 3.33Å; L178-F213 HydrophobicContact CG-CB 4.25Å; L178-F213 HydrophobicContact CG-CG 4.4Å; L178-L221 HydrophobicContact CB-CD1 3.75Å; L178-L221 HydrophobicContact CB-CD2 3.89Å; L178-L221 HydrophobicContact CB-CG 4.47Å; L178-L221 HydrophobicContact CD1-CD1 4.23Å
179C88.3Confident89.1Confident8 Ų819.8 Ų19.85%0.05410%0.102CC..Hα-helixtrans-63.4-41.8176.4-70.80000112.2V135 L175 I176 L177 F181 K183 L221V135-C179 HydrophobicContact CG1-CB 4.18Å; V135-C179 HydrophobicContact CG2-CB 3.76Å; L175-C179 WeakPolarHBondContact O-CB 3.33Å; L175-C179 PolarHBondContact O-N 2.87Å; L175-C179 PolarHBondContact O-SG 3.08Å; I176-C179 PolarHBondContact O-N 3.19Å; L177-C179 PolarHBondContact O-N 3.17Å; C179-F181 VanDerWaalsContact C-N 3.35Å; C179-K183 WeakPolarHBondContact O-CB 3.46Å; C179-K183 WeakPolarHBondContact O-CG 3.21Å; C179-K183 PolarHBondContact O-N 2.76Å; C179-K183 VanDerWaalsContact O-N 3.14Å; C179-L221 WeakPolarHBondContact SG-CD2 3.5Å
180L89.7Confident89.1Confident0 Ų027 Ų270%013%0.129CC..Hα-helixtrans-68.2-36.7-179.7-68.9170.7000112V135 I138 I176 L177 V185 W186V135-L180 HydrophobicContact CG1-CD2 4.33Å; I138-L180 HydrophobicContact CB-CD2 3.87Å; I138-L180 HydrophobicContact CD1-CD1 3.73Å; I138-L180 HydrophobicContact CD1-CD2 4.41Å; I138-L180 HydrophobicContact CG2-CD1 4.15Å; I138-L180 HydrophobicContact CG2-CD2 3.64Å; I176-L180 HydrophobicContact CG2-CD1 3.86Å; I176-L180 HydrophobicContact CG2-CG 4.42Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.25Å; I176-L180 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 2.85Å; L180-V185 PolarHBondContact O-N 3.35Å; L180-V185 VanDerWaalsContact O-N 3.16Å; L180-W186 HydrophobicContact CB-CB 4.49Å; L180-W186 HydrophobicContact CB-CD2 4.38Å; L180-W186 HydrophobicContact CB-CE3 4.3Å; L180-W186 HydrophobicContact CB-CG 4.48Å; L180-W186 HydrophobicContact CD1-CD2 4Å; L180-W186 HydrophobicContact CD1-CE3 3.66Å; L180-W186 HydrophobicContact CD1-CH2 3.97Å; L180-W186 HydrophobicContact CD1-CZ2 4.28Å; L180-W186 HydrophobicContact CD1-CZ3 3.65Å; L180-W186 PolarHBondContact O-N 2.93Å
181F89.9Confident89.1Confident1 Ų127.1 Ų27.10%0.00413%0.13CC..Hα-helixtrans-68.4-49.8176.8-161.3-75000111.4L177 L178 C179 K183 N184 W186 A192 I195 F213 A285L177-F181 PolarHBondContact O-N 3.41Å; L178-F181 PolarHBondContact O-N 2.7Å; C179-F181 VanDerWaalsContact C-N 3.35Å; F181-K183 VanDerWaalsContact C-N 3.27Å; F181-K183 PolarHBondContact O-N 3.4Å; F181-N184 WeakPolarHBondContact O-CA 3.3Å; F181-N184 PolarHBondContact O-N 2.93Å; F181-N184 PolarHBondContact O-OD1 3.47Å; F181-W186 VanDerWaalsContact CD2-O 3.23Å; F181-W186 WeakPolarHBondContact CD2-O 3.27Å; F181-A192 HydrophobicContact CE2-CB 4.05Å; F181-I195 HydrophobicContact CB-CD1 4.22Å; F181-I195 HydrophobicContact CD2-CD1 4.14Å; F181-I195 HydrophobicContact CG-CD1 4.34Å; F181-F213 HydrophobicContact CB-CE2 4.41Å; F181-F213 HydrophobicContact CB-CZ 4.14Å; F181-F213 HydrophobicContact CD1-CE1 4.29Å; F181-F213 HydrophobicContact CD1-CE2 4.03Å; F181-F213 AromaticContact CD1-CZ 3.33Å; F181-F213 HydrophobicContact CD1-CZ 3.33Å; F181-F213 AromaticContact CE1-CZ 3.87Å; F181-F213 HydrophobicContact CE1-CZ 3.87Å; F181-F213 AromaticContact CG-CZ 3.83Å; F181-F213 HydrophobicContact CG-CZ 3.83Å; F181-A285 HydrophobicContact CD1-CB 4.48Å; F181-A285 HydrophobicContact CE1-CB 3.57Å; F181-A285 HydrophobicContact CZ-CB 3.59Å
182K84.4Confident89.2Confident10 Ų1023 Ų234%0.04311%0.114CC..Hα-helixtrans-57-38.4176.5-90.9-158.1171.7-167.60113.2L178 N184 F213 L221 D222 E225L178-K182 PolarHBondContact O-N 2.91Å; K182-N184 PolarHBondContact O-N 2.92Å; K182-F213 HydrophobicContact CG-CD2 4.24Å; K182-F213 HydrophobicContact CG-CE2 3.88Å; K182-L221 HydrophobicContact CD-CB 4.34Å; K182-L221 HydrophobicContact CD-CD1 4.17Å; K182-D222 IonicContact NZ-OD1 2.66Å; K182-D222 PolarHBondContact NZ-OD1 3Å; K182-E225 VanDerWaalsContact CD-OE1 3.22Å; K182-E225 WeakPolarHBondContact CD-OE1 3.36Å; K182-E225 IonicContact NZ-OE1 3.95Å
183K83.2Confident89.3Confident32 Ų3224.1 Ų24.114%0.13912%0.12CC..THydrogen-bonded Turntrans-73.92.2177.7-71.4-176177.7-170.80113.5V135 C179 F181 V185V135-K183 HydrophobicContact CG1-CD 3.94Å; C179-K183 WeakPolarHBondContact O-CB 3.46Å; C179-K183 WeakPolarHBondContact O-CG 3.21Å; C179-K183 PolarHBondContact O-N 2.76Å; C179-K183 VanDerWaalsContact O-N 3.14Å; F181-K183 VanDerWaalsContact C-N 3.27Å; F181-K183 PolarHBondContact O-N 3.4Å; K183-V185 HydrophobicContact CB-CG2 4.04Å; K183-V185 PolarHBondContact O-N 3.35Å
184N83.4Confident89.4Confident75 Ų7524.8 Ų24.840%0.40112%0.124SC..THydrogen-bonded Turntrans55.525.9-176.4-64.1-23.4000113.8F181 K182F181-N184 WeakPolarHBondContact O-CA 3.3Å; F181-N184 PolarHBondContact O-N 2.93Å; F181-N184 PolarHBondContact O-OD1 3.47Å; K182-N184 PolarHBondContact O-N 2.92Å
185V85.1Confident89.4Confident17 Ų1724.8 Ų24.810%0.10312%0.124CC..SBendtrans-78.8-46175.2-178.10000109.4I138 K139 N142 L180 K183I138-V185 HydrophobicContact CG2-CG1 4.35Å; K139-V185 HydrophobicContact CB-CG2 4.35Å; K139-V185 HydrophobicContact CG-CG2 4.23Å; N142-V185 HydrophobicContact CB-CG1 3.79Å; L180-V185 PolarHBondContact O-N 3.35Å; L180-V185 VanDerWaalsContact O-N 3.16Å; K183-V185 HydrophobicContact CB-CG2 4.04Å; K183-V185 PolarHBondContact O-N 3.35Å
186W86.4Confident89.5Confident6 Ų624.5 Ų24.52%0.02312%0.123CC..  trans-11690.2177.1-70.9-4000109.5I138 N151 I154 L155 L158 L177 L180 F181 T191I138-W186 HydrophobicContact CD1-CH2 4.43Å; I138-W186 HydrophobicContact CD1-CZ2 4.44Å; I138-W186 HydrophobicContact CG2-CZ2 3.85Å; N151-W186 HydrophobicContact CB-CZ2 3.96Å; N151-W186 PolarHBondContact ND2-NE1 3.37Å; N151-W186 PolarHBondContact OD1-NE1 3.42Å; I154-W186 HydrophobicContact CB-CH2 4.27Å; I154-W186 HydrophobicContact CG2-CH2 3.82Å; L155-W186 HydrophobicContact CB-CZ3 4.5Å; L155-W186 HydrophobicContact CD1-CZ3 4.28Å; L158-W186 HydrophobicContact CD1-CH2 4.19Å; L158-W186 HydrophobicContact CD1-CZ3 3.95Å; L177-W186 HydrophobicContact CD2-CE3 4.09Å; L177-W186 HydrophobicContact CD2-CZ3 3.77Å; L180-W186 HydrophobicContact CB-CB 4.49Å; L180-W186 HydrophobicContact CB-CD2 4.38Å; L180-W186 HydrophobicContact CB-CE3 4.3Å; L180-W186 HydrophobicContact CB-CG 4.48Å; L180-W186 HydrophobicContact CD1-CD2 4Å; L180-W186 HydrophobicContact CD1-CE3 3.66Å; L180-W186 HydrophobicContact CD1-CH2 3.97Å; L180-W186 HydrophobicContact CD1-CZ2 4.28Å; L180-W186 HydrophobicContact CD1-CZ3 3.65Å; L180-W186 PolarHBondContact O-N 2.93Å; F181-W186 VanDerWaalsContact CD2-O 3.23Å; F181-W186 WeakPolarHBondContact CD2-O 3.27Å; W186-T191 HydrophobicContact CB-CG2 4.08Å; W186-T191 HydrophobicContact CD2-CG2 4.42Å; W186-T191 HydrophobicContact CE3-CG2 3.97Å
187N84.4Confident89.6Confident61 Ų6128.5 Ų28.533%0.32614%0.144SC..  trans-102.535.5177.764.6-37.1000111.8K146K146-N187 PolarHBondContact NZ-OD1 2.98Å
188D88.7Confident89.6Confident74 Ų7428.4 Ų28.440%0.39614%0.144SC..  trans-97.1144.7-172.4-56.8-26.1000111.1R190 T191 A192D188-R190 PolarHBondContact O-N 3.46Å; D188-T191 HydrophobicContact CB-CG2 4.41Å; D188-T191 PolarHBondContact N-OG1 2.87Å; D188-T191 PolarHBondContact O-N 3.31Å; D188-T191 PolarHBondContact O-OG1 3.47Å; D188-A192 PolarHBondContact O-N 2.9Å
189A92Very high89.7Confident27 Ų2728.4 Ų28.422%0.22314%0.144CC..Hα-helixtrans-55.3-38.9175.400000112.5T191 A192 N193 M288A189-T191 VanDerWaalsContact C-N 3.27Å; A189-T191 PolarHBondContact O-N 3.21Å; A189-A192 PolarHBondContact O-N 3.43Å; A189-N193 PolarHBondContact O-N 3.16Å; A189-N193 PolarHBondContact O-ND2 3.46Å; A189-M288 HydrophobicContact CB-CB 4.37Å
190R92.4Very high89.9Confident153 Ų15330.5 Ų30.558%0.57715%0.154SC*.Hα-helixtrans-57.7-39.9176.4-167.1-177.6-67.4-179.12.1112.2L155 D188 V194L155-R190 HydrophobicContact CD2-CB 4.19Å; L155-R190 HydrophobicContact CD2-CG 3.74Å; D188-R190 PolarHBondContact O-N 3.46Å; R190-V194 WeakPolarHBondContact O-CG2 3.29Å; R190-V194 PolarHBondContact O-N 3.44Å; R190-V194 VanDerWaalsContact O-N 3.14Å
191T92.1Very high89.8Confident3 Ų332.7 Ų32.72%0.01817%0.165CC..Hα-helixtrans-71.5-40.6179.360.40000112.4L155 W186 D188 A189 N193 V194 I195L155-T191 HydrophobicContact CD1-CG2 3.89Å; L155-T191 HydrophobicContact CD2-CG2 3.62Å; L155-T191 HydrophobicContact CG-CG2 4.38Å; W186-T191 HydrophobicContact CB-CG2 4.08Å; W186-T191 HydrophobicContact CD2-CG2 4.42Å; W186-T191 HydrophobicContact CE3-CG2 3.97Å; D188-T191 HydrophobicContact CB-CG2 4.41Å; D188-T191 PolarHBondContact N-OG1 2.87Å; D188-T191 PolarHBondContact O-N 3.31Å; D188-T191 PolarHBondContact O-OG1 3.47Å; A189-T191 VanDerWaalsContact C-N 3.27Å; A189-T191 PolarHBondContact O-N 3.21Å; T191-N193 VanDerWaalsContact C-N 3.28Å; T191-N193 PolarHBondContact O-N 2.85Å; T191-V194 PolarHBondContact O-N 2.9Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 2.86Å; T191-I195 VanDerWaalsContact O-N 3.09Å
192A92.2Very high89.6Confident0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-58.5-41.4174.300000111.5F181 D188 A189 I195 A196 M288 L289F181-A192 HydrophobicContact CE2-CB 4.05Å; D188-A192 PolarHBondContact O-N 2.9Å; A189-A192 PolarHBondContact O-N 3.43Å; A192-I195 WeakPolarHBondContact O-CB 3.4Å; A192-I195 PolarHBondContact O-N 3.35Å; A192-A196 PolarHBondContact O-N 3.43Å; A192-M288 HydrophobicContact CB-CB 4.08Å; A192-L289 HydrophobicContact CB-CD2 4.43Å
193N93.7Very high89.8Confident25 Ų2538.1 Ų38.113%0.13421%0.211CC..Hα-helixtrans-70.5-35.7178.8-72.7-66.9000113.5A189 T191 I195 A196 D197 M288 H290A189-N193 PolarHBondContact O-N 3.16Å; A189-N193 PolarHBondContact O-ND2 3.46Å; T191-N193 VanDerWaalsContact C-N 3.28Å; T191-N193 PolarHBondContact O-N 2.85Å; N193-I195 VanDerWaalsContact C-N 3.27Å; N193-I195 PolarHBondContact O-N 3.11Å; N193-A196 WeakPolarHBondContact O-CB 3.49Å; N193-A196 PolarHBondContact O-N 2.87Å; N193-A196 VanDerWaalsContact O-N 3.16Å; N193-D197 PolarHBondContact O-N 3.49Å; N193-M288 PolarHBondContact ND2-O 2.95Å; N193-H290 PolarHBondContact ND2-CD2 3.41Å; N193-H290 VanDerWaalsContact ND2-CG 3.27Å; N193-H290 PolarHBondContact ND2-N 3.11Å; N193-H290 PolarHBondContact ND2-NE2 3.3Å; N193-H290 PolarHBondContact OD1-N 3.14Å
194V93.6Very high90.2Very high14 Ų1441.8 Ų41.89%0.08523%0.227CC..Hα-helixtrans-63.7-35.1171.1175.40000111.3L155 I162 L177 R190 T191 S198L155-V194 HydrophobicContact CD1-CB 4.45Å; L155-V194 HydrophobicContact CD1-CG2 4.2Å; I162-V194 HydrophobicContact CD1-CG1 3.73Å; L177-V194 HydrophobicContact CD1-CG1 3.67Å; R190-V194 WeakPolarHBondContact O-CG2 3.29Å; R190-V194 PolarHBondContact O-N 3.44Å; R190-V194 VanDerWaalsContact O-N 3.14Å; T191-V194 PolarHBondContact O-N 2.9Å; V194-S198 PolarHBondContact O-N 3.39Å; V194-S198 VanDerWaalsContact O-N 3.14Å; V194-S198 PolarHBondContact O-OG 2.83Å
195I93.4Very high90.4Very high1 Ų143.7 Ų43.71%0.00523%0.232CC..Hα-helixtrans-68.7-39.3173.3-63164000110.6L177 L178 F181 T191 A192 N193 S198 C199 A210 F213 F214L177-I195 HydrophobicContact CB-CG1 4.23Å; L178-I195 HydrophobicContact CD2-CD1 4.02Å; L178-I195 HydrophobicContact CD2-CG1 4.16Å; L178-I195 HydrophobicContact CD2-CG2 3.62Å; F181-I195 HydrophobicContact CB-CD1 4.22Å; F181-I195 HydrophobicContact CD2-CD1 4.14Å; F181-I195 HydrophobicContact CG-CD1 4.34Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 2.86Å; T191-I195 VanDerWaalsContact O-N 3.09Å; A192-I195 WeakPolarHBondContact O-CB 3.4Å; A192-I195 PolarHBondContact O-N 3.35Å; N193-I195 VanDerWaalsContact C-N 3.27Å; N193-I195 PolarHBondContact O-N 3.11Å; I195-S198 VanDerWaalsContact O-CB 3.27Å; I195-S198 WeakPolarHBondContact O-CB 3.34Å; I195-S198 PolarHBondContact O-N 2.8Å; I195-C199 PolarHBondContact O-N 3.37Å; I195-C199 PolarHBondContact O-SG 2.74Å; I195-C199 VanDerWaalsContact O-SG 3.41Å; I195-A210 HydrophobicContact CG2-CB 4.32Å; I195-F213 HydrophobicContact CD1-CE1 4.32Å; I195-F213 HydrophobicContact CG2-CD1 4.03Å; I195-F213 HydrophobicContact CG2-CE1 4.43Å; I195-F214 HydrophobicContact CB-CZ 4.41Å; I195-F214 HydrophobicContact CG2-CE2 3.73Å; I195-F214 HydrophobicContact CG2-CZ 3.95Å
196A93.3Very high90.7Very high3 Ų342.9 Ų42.93%0.02523%0.227CC..Hα-helixtrans-62.4-45.7174.400000111.9A192 N193 S198 C199 F214 L289 F295A192-A196 PolarHBondContact O-N 3.43Å; N193-A196 WeakPolarHBondContact O-CB 3.49Å; N193-A196 PolarHBondContact O-N 2.87Å; N193-A196 VanDerWaalsContact O-N 3.16Å; A196-S198 PolarHBondContact O-N 3.17Å; A196-C199 WeakPolarHBondContact O-CA 3.44Å; A196-C199 WeakPolarHBondContact O-CB 3.24Å; A196-C199 PolarHBondContact O-N 2.82Å; A196-F214 HydrophobicContact CB-CZ 4.38Å; A196-L289 HydrophobicContact CB-CD2 3.59Å; A196-F295 HydrophobicContact CB-CD2 4.26Å; A196-F295 HydrophobicContact CB-CE1 4.24Å; A196-F295 HydrophobicContact CB-CE2 3.84Å; A196-F295 HydrophobicContact CB-CZ 3.81Å; A196-F295 VanDerWaalsContact O-CE2 3.23Å; A196-F295 WeakPolarHBondContact O-CE2 3.18Å
197D92.8Very high91Very high86 Ų8642.7 Ų42.746%0.4623%0.226SC..Hα-helixtrans-57.5-36.2174.1-75.9-19.8000112.1N193 C199 L200N193-D197 PolarHBondContact O-N 3.49Å; D197-C199 PolarHBondContact O-N 3.28Å; D197-L200 WeakPolarHBondContact O-CB 3.31Å; D197-L200 PolarHBondContact O-N 2.95Å
198S92.4Very high91.3Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-62.6-26.7175.9-55.20000112.5V194 I195 A196 L200 Y207V194-S198 PolarHBondContact O-N 3.39Å; V194-S198 VanDerWaalsContact O-N 3.14Å; V194-S198 PolarHBondContact O-OG 2.83Å; I195-S198 VanDerWaalsContact O-CB 3.27Å; I195-S198 WeakPolarHBondContact O-CB 3.34Å; I195-S198 PolarHBondContact O-N 2.8Å; A196-S198 PolarHBondContact O-N 3.17Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.99Å; S198-Y207 WeakPolarHBondContact O-CA 3.36Å; S198-Y207 WeakPolarHBondContact O-CB 3.23Å
199C92.8Very high91.4Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-70.7-25.2175.5-59.10000112.4I195 A196 D197 Y207 A210 I211 F295 L299 K302I195-C199 PolarHBondContact O-N 3.37Å; I195-C199 PolarHBondContact O-SG 2.74Å; I195-C199 VanDerWaalsContact O-SG 3.41Å; A196-C199 WeakPolarHBondContact O-CA 3.44Å; A196-C199 WeakPolarHBondContact O-CB 3.24Å; A196-C199 PolarHBondContact O-N 2.82Å; D197-C199 PolarHBondContact O-N 3.28Å; C199-Y207 WeakPolarHBondContact O-CB 3.27Å; C199-A210 WeakPolarHBondContact SG-CB 3.42Å; C199-I211 HydrophobicContact CB-CG1 4.21Å; C199-F295 HydrophobicContact CB-CE2 4.16Å; C199-F295 HydrophobicContact CB-CZ 3.95Å; C199-L299 HydrophobicContact CB-CD2 4.12Å; C199-K302 PolarHBondContact O-NZ 3.38Å
200L91.9Very high91.4Very high53 Ų5337 Ų3728%0.27719%0.194SC..Hα-helixtrans-82.5-16.9-178.3-60.1179.2000113.2D197 S198 F295 K298 L299D197-L200 WeakPolarHBondContact O-CB 3.31Å; D197-L200 PolarHBondContact O-N 2.95Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.99Å; L200-F295 HydrophobicContact CD1-CD2 4.39Å; L200-F295 HydrophobicContact CD2-CD2 4.21Å; L200-F295 HydrophobicContact CD2-CE2 4.04Å; L200-F295 HydrophobicContact CG-CD2 4.36Å; L200-F295 HydrophobicContact CG-CE2 4.09Å; L200-K298 HydrophobicContact CD1-CB 4.28Å; L200-K298 HydrophobicContact CD1-CD 3.89Å; L200-K298 HydrophobicContact CD2-CB 3.69Å; L200-L299 HydrophobicContact CD2-CD2 3.94Å; L200-L299 HydrophobicContact CD2-CG 4.09Å
201M88.3Confident91.5Very high46 Ų4629.8 Ų29.823%0.22717%0.167CC..SBendtrans-62.1147.1180-65.7-165.478.100113.3I162 N203 V206 Y207 K302I162-M201 HydrophobicContact CG2-CE 4.38Å; I162-M201 HydrophobicContact CG2-SD 3.27Å; I162-M201 WeakPolarHBondContact CG2-SD 3.27Å; I162-M201 WeakPolarHBondContact O-CE 3.5Å; I162-M201 VanDerWaalsContact O-SD 3.37Å; M201-N203 VanDerWaalsContact C-N 3.31Å; M201-N203 PolarHBondContact O-N 3.26Å; M201-V206 HydrophobicContact SD-CB 4.5Å; M201-V206 HydrophobicContact SD-CG1 3.69Å; M201-Y207 WeakPolarHBondContact O-CD1 3.36Å; M201-K302 PolarHBondContact O-NZ 3.41Å
202G85.8Confident91.4Very high71 Ų7131.9 Ų31.973%0.73218%0.177SC*.SBendtrans-71.1-19.5-179.900000115.1K204G202-K204 PolarHBondContact O-N 2.86Å
203N88.7Confident91.3Very high54 Ų5432 Ų3229%0.28918%0.177SC..  trans-82.3116.7-173.1-173-14.2000113S167 M201 K205 V206 Y207S167-N203 WeakPolarHBondContact CA-ND2 3.29Å; S167-N203 WeakPolarHBondContact CB-ND2 3.34Å; M201-N203 VanDerWaalsContact C-N 3.31Å; M201-N203 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact O-N 3.2Å; N203-K205 VanDerWaalsContact O-N 3.16Å; N203-K205 PolarHBondContact OD1-N 3.31Å; N203-V206 HydrophobicContact CB-CB 4.33Å; N203-V206 HydrophobicContact CB-CG2 3.93Å; N203-V206 WeakPolarHBondContact O-CB 3.44Å; N203-V206 PolarHBondContact O-N 3.27Å; N203-Y207 WeakPolarHBondContact O-CD1 3.4Å; N203-Y207 PolarHBondContact O-N 3.32Å; N203-Y207 VanDerWaalsContact O-N 3.08Å
204K90.6Very high91.1Very high108 Ų10830.8 Ų30.847%0.4717%0.17SC..Hα-helixtrans-53.1-37.8179.8-41.8-173.2-162.8-174.50113.4G202 V206 Y207 V208 D308 I312G202-K204 PolarHBondContact O-N 2.86Å; K204-V206 PolarHBondContact O-N 3.44Å; K204-Y207 HydrophobicContact CB-CE1 4.03Å; K204-Y207 HydrophobicContact CG-CE1 3.95Å; K204-V208 VanDerWaalsContact O-CB 3.25Å; K204-V208 WeakPolarHBondContact O-CB 3.49Å; K204-V208 WeakPolarHBondContact O-CG2 3.19Å; K204-V208 PolarHBondContact O-N 3.16Å; K204-D308 WeakPolarHBondContact CD-OD1 3.38Å; K204-D308 WeakPolarHBondContact CE-OD1 3.42Å; K204-D308 IonicContact NZ-OD1 3.79Å; K204-D308 PolarHBondContact NZ-OD1 3.33Å; K204-I312 HydrophobicContact CD-CD1 4.48Å
205K88.1Confident90.8Very high116 Ų11630.5 Ų30.550%0.50417%0.168SC..Hα-helixtrans-66.6-20.4179.9-66.2-178.6-178.8172.20112.9R171 N203 P209R171-K205 WeakPolarHBondContact CG-O 3.4Å; N203-K205 PolarHBondContact O-N 3.2Å; N203-K205 VanDerWaalsContact O-N 3.16Å; N203-K205 PolarHBondContact OD1-N 3.31Å; K205-P209 WeakPolarHBondContact O-CD 3.48Å; K205-P209 WeakPolarHBondContact O-CG 3.33Å
206V91.3Very high90.2Very high0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-101-51.3-174.5-174.50000110.7A170 V174 M201 N203 K204 P209A170-V206 HydrophobicContact CB-CG2 3.65Å; V174-V206 HydrophobicContact CG2-CG1 3.54Å; M201-V206 HydrophobicContact SD-CB 4.5Å; M201-V206 HydrophobicContact SD-CG1 3.69Å; N203-V206 HydrophobicContact CB-CB 4.33Å; N203-V206 HydrophobicContact CB-CG2 3.93Å; N203-V206 WeakPolarHBondContact O-CB 3.44Å; N203-V206 PolarHBondContact O-N 3.27Å; K204-V206 PolarHBondContact O-N 3.44Å; V206-P209 WeakPolarHBondContact O-CD 3.33Å
207Y92Very high89.4Confident1 Ų136 Ų360%0.00420%0.2CC..Hα-helixtrans-75.5-31-175.774.8-108.7000113.1S198 C199 M201 N203 K204 A210 I211 D308 I312S198-Y207 WeakPolarHBondContact O-CA 3.36Å; S198-Y207 WeakPolarHBondContact O-CB 3.23Å; C199-Y207 WeakPolarHBondContact O-CB 3.27Å; M201-Y207 WeakPolarHBondContact O-CD1 3.36Å; N203-Y207 WeakPolarHBondContact O-CD1 3.4Å; N203-Y207 PolarHBondContact O-N 3.32Å; N203-Y207 VanDerWaalsContact O-N 3.08Å; K204-Y207 HydrophobicContact CB-CE1 4.03Å; K204-Y207 HydrophobicContact CG-CE1 3.95Å; Y207-A210 PolarHBondContact O-N 3.43Å; Y207-I211 HydrophobicContact CD2-CD1 3.78Å; Y207-I211 HydrophobicContact CE2-CD1 4.43Å; Y207-I211 VanDerWaalsContact O-CG1 3.32Å; Y207-I211 WeakPolarHBondContact O-CG1 3.34Å; Y207-I211 PolarHBondContact O-N 3.1Å; Y207-D308 PolarHBondContact OH-OD2 3.03Å; Y207-I312 HydrophobicContact CE2-CG2 3.74Å; Y207-I312 WeakPolarHBondContact OH-CG2 3.49Å
208V92Very high88.2Confident25 Ų2531.9 Ų31.915%0.15218%0.178CC..Hα-helixtrans-63.3-48.3-179.4172.80000111.7K204 A210 I211 Q212 I312 L315K204-V208 VanDerWaalsContact O-CB 3.25Å; K204-V208 WeakPolarHBondContact O-CB 3.49Å; K204-V208 WeakPolarHBondContact O-CG2 3.19Å; K204-V208 PolarHBondContact O-N 3.16Å; V208-A210 VanDerWaalsContact C-N 3.29Å; V208-A210 PolarHBondContact O-N 3.28Å; V208-I211 PolarHBondContact O-N 3.29Å; V208-Q212 HydrophobicContact CG1-CG 4.24Å; V208-Q212 WeakPolarHBondContact O-CB 3.37Å; V208-Q212 VanDerWaalsContact O-CG 3.29Å; V208-Q212 WeakPolarHBondContact O-CG 3.41Å; V208-Q212 PolarHBondContact O-N 2.8Å; V208-I312 HydrophobicContact CG2-CG2 4.28Å; V208-L315 HydrophobicContact CG1-CD1 4.31Å
209P90.8Very high86.8Confident18 Ų1840 Ų4012%0.11721%0.213CC..Hα-helixtrans-58.1-38.2173-27.135.2000113.9L175 L178 K205 V206 Q212 F213L175-P209 HydrophobicContact CD2-CB 4.25Å; L178-P209 HydrophobicContact CD1-CB 4Å; L178-P209 WeakPolarHBondContact CD1-O 3.48Å; K205-P209 WeakPolarHBondContact O-CD 3.48Å; K205-P209 WeakPolarHBondContact O-CG 3.33Å; V206-P209 WeakPolarHBondContact O-CD 3.33Å; P209-Q212 PolarHBondContact O-N 3.08Å; P209-F213 WeakPolarHBondContact O-CB 3.47Å; P209-F213 PolarHBondContact O-N 3.38Å
210A92.3Very high85.1Confident0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-66.5-43.8179.300000111.9V174 I195 C199 Y207 V208 F213 F214V174-A210 HydrophobicContact CG1-CB 4.19Å; I195-A210 HydrophobicContact CG2-CB 4.32Å; C199-A210 WeakPolarHBondContact SG-CB 3.42Å; Y207-A210 PolarHBondContact O-N 3.43Å; V208-A210 VanDerWaalsContact C-N 3.29Å; V208-A210 PolarHBondContact O-N 3.28Å; A210-F213 WeakPolarHBondContact O-CB 3.42Å; A210-F213 PolarHBondContact O-N 3.29Å; A210-F214 WeakPolarHBondContact O-CD2 3.11Å; A210-F214 PolarHBondContact O-N 3.23Å
211I92.7Very high83.6Confident1 Ų140 Ų401%0.00522%0.22CC..Hα-helixtrans-65.4-45.8174.8-65.2174.3000110.7C199 Y207 V208 F213 F214 L215 L315 I316 L319C199-I211 HydrophobicContact CB-CG1 4.21Å; Y207-I211 HydrophobicContact CD2-CD1 3.78Å; Y207-I211 HydrophobicContact CE2-CD1 4.43Å; Y207-I211 VanDerWaalsContact O-CG1 3.32Å; Y207-I211 WeakPolarHBondContact O-CG1 3.34Å; Y207-I211 PolarHBondContact O-N 3.1Å; V208-I211 PolarHBondContact O-N 3.29Å; I211-F213 PolarHBondContact O-N 3.09Å; I211-F214 PolarHBondContact O-N 2.97Å; I211-L215 HydrophobicContact CG2-CD1 3.85Å; I211-L215 HydrophobicContact CG2-CG 4.32Å; I211-L215 WeakPolarHBondContact O-CG 3.48Å; I211-L215 PolarHBondContact O-N 2.79Å; I211-L215 VanDerWaalsContact O-N 3.11Å; I211-L315 HydrophobicContact CG2-CB 3.99Å; I211-L315 WeakPolarHBondContact CG2-O 3.27Å; I211-I316 HydrophobicContact CD1-CG1 3.59Å; I211-L319 HydrophobicContact CB-CD2 4.48Å; I211-L319 HydrophobicContact CG1-CD2 4.05Å; I211-L319 HydrophobicContact CG2-CB 4.24Å; I211-L319 HydrophobicContact CG2-CD2 4.23Å
212Q91Very high82.2Confident48 Ų4840.9 Ų40.922%0.22423%0.226CC..Hα-helixtrans-59.7-31178.5-76.8178-13.800112.9V208 P209 G216 K217 L315V208-Q212 HydrophobicContact CG1-CG 4.24Å; V208-Q212 WeakPolarHBondContact O-CB 3.37Å; V208-Q212 VanDerWaalsContact O-CG 3.29Å; V208-Q212 WeakPolarHBondContact O-CG 3.41Å; V208-Q212 PolarHBondContact O-N 2.8Å; P209-Q212 PolarHBondContact O-N 3.08Å; Q212-G216 PolarHBondContact O-N 3.34Å; Q212-K217 PolarHBondContact O-N 2.95Å; Q212-L315 HydrophobicContact CG-CD1 4.29Å
213F89.7Confident80.7Confident1 Ų143.9 Ų43.90%0.00422%0.221CC..Hα-helixtrans-63.7-54.4173.5165.2-100.3000111.6L178 F181 K182 I195 P209 A210 I211 L215 G216 L221 N282 A285L178-F213 HydrophobicContact CB-CD2 4.49Å; L178-F213 HydrophobicContact CD1-CB 4.03Å; L178-F213 HydrophobicContact CD2-CB 3.45Å; L178-F213 VanDerWaalsContact CD2-CB 3.45Å; L178-F213 HydrophobicContact CD2-CD1 3.58Å; L178-F213 HydrophobicContact CD2-CD2 3.85Å; L178-F213 HydrophobicContact CD2-CE1 4.31Å; L178-F213 HydrophobicContact CD2-CG 3.33Å; L178-F213 HydrophobicContact CG-CB 4.25Å; L178-F213 HydrophobicContact CG-CG 4.4Å; F181-F213 HydrophobicContact CB-CE2 4.41Å; F181-F213 HydrophobicContact CB-CZ 4.14Å; F181-F213 HydrophobicContact CD1-CE1 4.29Å; F181-F213 HydrophobicContact CD1-CE2 4.03Å; F181-F213 AromaticContact CD1-CZ 3.33Å; F181-F213 HydrophobicContact CD1-CZ 3.33Å; F181-F213 AromaticContact CE1-CZ 3.87Å; F181-F213 HydrophobicContact CE1-CZ 3.87Å; F181-F213 AromaticContact CG-CZ 3.83Å; F181-F213 HydrophobicContact CG-CZ 3.83Å; K182-F213 HydrophobicContact CG-CD2 4.24Å; K182-F213 HydrophobicContact CG-CE2 3.88Å; I195-F213 HydrophobicContact CD1-CE1 4.32Å; I195-F213 HydrophobicContact CG2-CD1 4.03Å; I195-F213 HydrophobicContact CG2-CE1 4.43Å; P209-F213 WeakPolarHBondContact O-CB 3.47Å; P209-F213 PolarHBondContact O-N 3.38Å; A210-F213 WeakPolarHBondContact O-CB 3.42Å; A210-F213 PolarHBondContact O-N 3.29Å; I211-F213 PolarHBondContact O-N 3.09Å; F213-L215 PolarHBondContact O-N 3.41Å; F213-L215 VanDerWaalsContact O-N 3.13Å; F213-G216 PolarHBondContact O-N 3.08Å; F213-L221 HydrophobicContact CD2-CD1 4.35Å; F213-N282 PolarHBondContact O-OD1 2.97Å; F213-N282 VanDerWaalsContact O-OD1 3.07Å; F213-A285 HydrophobicContact CE1-CB 3.83Å; F213-A285 HydrophobicContact CZ-CB 4.08Å
214F89.9Confident79Confident0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-59.5-27.9177.7-73.4-67.1000113.3I195 A196 A210 I211 A285 L286 L289 L319I195-F214 HydrophobicContact CB-CZ 4.41Å; I195-F214 HydrophobicContact CG2-CE2 3.73Å; I195-F214 HydrophobicContact CG2-CZ 3.95Å; A196-F214 HydrophobicContact CB-CZ 4.38Å; A210-F214 WeakPolarHBondContact O-CD2 3.11Å; A210-F214 PolarHBondContact O-N 3.23Å; I211-F214 PolarHBondContact O-N 2.97Å; F214-A285 HydrophobicContact CD1-CB 4.06Å; F214-A285 HydrophobicContact CE1-CB 3.82Å; F214-L286 HydrophobicContact CB-CD2 4.17Å; F214-L286 HydrophobicContact CD1-CD2 3.55Å; F214-L286 HydrophobicContact CD1-CG 3.96Å; F214-L286 HydrophobicContact CE1-CD2 4.19Å; F214-L286 HydrophobicContact CG-CD2 4.07Å; F214-L289 HydrophobicContact CE1-CD2 4.4Å; F214-L289 HydrophobicContact CZ-CD2 4.18Å; F214-L319 HydrophobicContact CB-CD1 3.52Å; F214-L319 HydrophobicContact CD2-CD1 4.41Å; F214-L319 HydrophobicContact CD2-CD2 4.41Å; F214-L319 HydrophobicContact CG-CD1 4.09Å
215L86.2Confident77.1Confident8 Ų838.6 Ų38.64%0.04220%0.196CC..Hα-helixtrans-84.7-15.2177.1-62.1179.5000114.4I211 F213 K217 L315 D318 L319 R322I211-L215 HydrophobicContact CG2-CD1 3.85Å; I211-L215 HydrophobicContact CG2-CG 4.32Å; I211-L215 WeakPolarHBondContact O-CG 3.48Å; I211-L215 PolarHBondContact O-N 2.79Å; I211-L215 VanDerWaalsContact O-N 3.11Å; F213-L215 PolarHBondContact O-N 3.41Å; F213-L215 VanDerWaalsContact O-N 3.13Å; L215-K217 HydrophobicContact CB-CD 4.23Å; L215-K217 HydrophobicContact CB-CG 4.25Å; L215-K217 HydrophobicContact CD1-CD 4.44Å; L215-L315 HydrophobicContact CD1-CB 4.32Å; L215-L315 HydrophobicContact CD1-CD2 3.82Å; L215-D318 HydrophobicContact CD1-CB 3.97Å; L215-D318 HydrophobicContact CD2-CB 3.87Å; L215-D318 VanDerWaalsContact CD2-CG 3.43Å; L215-L319 HydrophobicContact CD2-CB 4.27Å; L215-R322 PolarHBondContact O-NH1 2.93Å
216G82.2Confident75.2Confident29 Ų2938.4 Ų38.430%0.29921%0.205SC..THydrogen-bonded Turntrans75.816.8-173.400000115.4Q212 F213 N282Q212-G216 PolarHBondContact O-N 3.34Å; F213-G216 PolarHBondContact O-N 3.08Å; G216-N282 WeakPolarHBondContact CA-ND2 3.25Å; G216-N282 PolarHBondContact N-ND2 2.95Å
217K76.1Confident73Confident90 Ų9042.6 Ų42.639%0.39124%0.235SC..  trans-99.613.7-175.8-67.1174.6176.2166.80113.6Q212 L215 K219 L315 D318Q212-K217 PolarHBondContact O-N 2.95Å; L215-K217 HydrophobicContact CB-CD 4.23Å; L215-K217 HydrophobicContact CB-CG 4.25Å; L215-K217 HydrophobicContact CD1-CD 4.44Å; K217-K219 PolarHBondContact O-N 3.07Å; K217-L315 HydrophobicContact CD-CD2 4.23Å; K217-D318 IonicContact NZ-OD2 3.13Å; K217-D318 PolarHBondContact NZ-OD2 3.38Å
218S67.3Low70.6Confident1 Ų145 Ų451%0.00725%0.251CS..  trans-80.782.5-167.7-166.20000113.7A220 L221 D222S218-A220 PolarHBondContact O-N 3.48Å; S218-L221 PolarHBondContact O-N 3.33Å; S218-L221 VanDerWaalsContact O-N 3.16Å; S218-L221 VanDerWaalsContact OG-CD1 3.24Å; S218-L221 WeakPolarHBondContact OG-CD1 3.42Å; S218-L221 VanDerWaalsContact OG-CG 3.26Å; S218-L221 WeakPolarHBondContact OG-CG 3.2Å; S218-D222 PolarHBondContact O-N 3.02Å
219K63.3Low68.4Low169 Ų16945.7 Ų45.774%0.73525%0.254SS*.Hα-helixtrans-53.4-36.7175.8-63.4-176.4179.8-178.80113.2K217 L221 D222K217-K219 PolarHBondContact O-N 3.07Å; K219-L221 VanDerWaalsContact C-N 3.27Å; K219-L221 PolarHBondContact O-N 3.1Å; K219-D222 PolarHBondContact O-N 3.36Å
220A56Low66.2Low49 Ų4948.5 Ų48.541%0.40527%0.274SS..Hα-helixtrans-71.5-20-175.200000113.8S218S218-A220 PolarHBondContact O-N 3.48Å
221L61.2Low64Low4 Ų454.4 Ų54.42%0.02130%0.302CS..Hα-helixtrans-85.7-36.8175.5-64.8172.3000111L175 L178 C179 K182 F213 S218 K219 E223 M224L175-L221 HydrophobicContact CD2-CD2 4.22Å; L178-L221 HydrophobicContact CB-CD1 3.75Å; L178-L221 HydrophobicContact CB-CD2 3.89Å; L178-L221 HydrophobicContact CB-CG 4.47Å; L178-L221 HydrophobicContact CD1-CD1 4.23Å; C179-L221 WeakPolarHBondContact SG-CD2 3.5Å; K182-L221 HydrophobicContact CD-CB 4.34Å; K182-L221 HydrophobicContact CD-CD1 4.17Å; F213-L221 HydrophobicContact CD2-CD1 4.35Å; S218-L221 PolarHBondContact O-N 3.33Å; S218-L221 VanDerWaalsContact O-N 3.16Å; S218-L221 VanDerWaalsContact OG-CD1 3.24Å; S218-L221 WeakPolarHBondContact OG-CD1 3.42Å; S218-L221 VanDerWaalsContact OG-CG 3.26Å; S218-L221 WeakPolarHBondContact OG-CG 3.2Å; K219-L221 VanDerWaalsContact C-N 3.27Å; K219-L221 PolarHBondContact O-N 3.1Å; L221-E223 VanDerWaalsContact C-N 3.27Å; L221-E223 PolarHBondContact O-N 3.03Å; L221-M224 PolarHBondContact O-N 3.45Å
222D58.2Low62.1Low65 Ų6555.6 Ų55.635%0.34831%0.31SS..Hα-helixtrans-64.1-33-176.8-56.4-19.1000111.8K182 S218 K219 M224 E225 T226K182-D222 IonicContact NZ-OD1 2.66Å; K182-D222 PolarHBondContact NZ-OD1 3Å; S218-D222 PolarHBondContact O-N 3.02Å; K219-D222 PolarHBondContact O-N 3.36Å; D222-M224 PolarHBondContact O-N 2.74Å; D222-E225 PolarHBondContact O-N 3.21Å; D222-E225 VanDerWaalsContact O-N 3.12Å; D222-T226 PolarHBondContact O-N 2.97Å
223E56.2Low60.3Low135 Ų13557.8 Ų57.863%0.63132%0.323SS*.Hα-helixtrans-58.8-25.3172.8-71-178.7-168.600113.6L221 T226L221-E223 VanDerWaalsContact C-N 3.27Å; L221-E223 PolarHBondContact O-N 3.03Å; E223-T226 PolarHBondContact O-OG1 2.92Å
224M52.4Low59.1Low8 Ų862.3 Ų62.34%0.03935%0.348CS..Hα-helixtrans-89.7-18.3178.7-60.9-123.5-55.200113.2R131 H132 V135 L221 D222R131-M224 HydrophobicContact CG-CE 3.75Å; R131-M224 HydrophobicContact CG-SD 4.32Å; R131-M224 PolarHBondContact NE-SD 2.9Å; H132-M224 PolarHBondContact CE1-SD 3.02Å; H132-M224 PolarHBondContact NE2-SD 3.03Å; V135-M224 HydrophobicContact CG2-CE 4.43Å; L221-M224 PolarHBondContact O-N 3.45Å; D222-M224 PolarHBondContact O-N 2.74Å
225E51.2Low57.9Low42 Ų4263.7 Ų63.720%0.19635%0.354CS..Hα-helixtrans-78.3-33.4179.2-69.9179.3-173.500110.9K182 D222 S227 S228K182-E225 VanDerWaalsContact CD-OE1 3.22Å; K182-E225 WeakPolarHBondContact CD-OE1 3.36Å; K182-E225 IonicContact NZ-OE1 3.95Å; D222-E225 PolarHBondContact O-N 3.21Å; D222-E225 VanDerWaalsContact O-N 3.12Å; E225-S227 PolarHBondContact O-N 3.22Å; E225-S228 PolarHBondContact O-N 3.19Å
226T46.2Very low57.3Low113 Ų11367.3 Ų67.369%0.69337%0.371SS*.THydrogen-bonded Turntrans-59.4-17-179.136.90000115.1D222 E223D222-T226 PolarHBondContact O-N 2.97Å; E223-T226 PolarHBondContact O-OG1 2.92Å
227S45.4Very low57Low88 Ų8867.9 Ų67.962%0.61537%0.371SS*.THydrogen-bonded Turntrans-113.2-2.3-176.373.70000115.3E225E225-S227 PolarHBondContact O-N 3.22Å
228S43.2Very low57.2Low51 Ų5168.7 Ų68.736%0.35737%0.374SS..THydrogen-bonded Turntrans-139.71.4-163.7-174.50000116.2E225E225-S228 PolarHBondContact O-N 3.19Å
229D44.5Very low58.1Low39 Ų3969.8 Ų69.821%0.20938%0.38CS..  trans-96.3114.6176.2-95-5.6000111.4K139 E231 S232K139-D229 IonicContact NZ-OD1 3.14Å; D229-E231 PolarHBondContact O-N 3.05Å; D229-E231 VanDerWaalsContact O-N 3.11Å; D229-S232 WeakPolarHBondContact O-CB 3.14Å; D229-S232 PolarHBondContact O-N 3.34Å; D229-S232 PolarHBondContact O-OG 2.7Å
230S44.7Very low59.1Low77 Ų7767.7 Ų67.754%0.53837%0.37SS..THydrogen-bonded Turntrans-57.2-13.4169.240.90000113.7S232 D233S230-S232 VanDerWaalsContact C-N 3.29Å; S230-D233 PolarHBondContact O-N 3.12Å
231E47.3Very low60.4Low125 Ų12571.5 Ų71.558%0.58438%0.38SS*.THydrogen-bonded Turntrans-72.6-22.2168.7-69.3-71.8154.400112.4D229 D233 N234D229-E231 PolarHBondContact O-N 3.05Å; D229-E231 VanDerWaalsContact O-N 3.11Å; E231-D233 PolarHBondContact O-N 3.17Å; E231-N234 PolarHBondContact O-N 3Å
232S51.8Low61.6Low25 Ų2574.1 Ų74.118%0.17539%0.394CS..Hα-helixtrans-66.3-26.7174.572.40000112.1D229 S230 N234 E235 E236D229-S232 WeakPolarHBondContact O-CB 3.14Å; D229-S232 PolarHBondContact O-N 3.34Å; D229-S232 PolarHBondContact O-OG 2.7Å; S230-S232 VanDerWaalsContact C-N 3.29Å; S232-N234 VanDerWaalsContact C-N 3.27Å; S232-N234 PolarHBondContact O-N 3.21Å; S232-E235 PolarHBondContact O-N 2.96Å; S232-E236 VanDerWaalsContact O-CB 3.26Å; S232-E236 WeakPolarHBondContact O-CB 3.31Å; S232-E236 WeakPolarHBondContact O-CG 3.3Å; S232-E236 PolarHBondContact O-N 3.45Å
233D52.7Low62.9Low94 Ų9478.2 Ų78.250%0.50340%0.404SS..Hα-helixtrans-63.4-34.5-178.7-65.7-37.3000111.8S230 E231 S237S230-D233 PolarHBondContact O-N 3.12Å; E231-D233 PolarHBondContact O-N 3.17Å; D233-S237 WeakPolarHBondContact O-CB 3.29Å; D233-S237 PolarHBondContact O-N 3.37Å; D233-S237 PolarHBondContact O-OG 3.23Å
234N64.2Low64.2Low97 Ų9776.1 Ų76.152%0.51940%0.397SS..Hα-helixtrans-72.6-34.4179.2-70.2-22.4000113E231 S232 S237 K238E231-N234 PolarHBondContact O-N 3Å; S232-N234 VanDerWaalsContact C-N 3.27Å; S232-N234 PolarHBondContact O-N 3.21Å; N234-S237 VanDerWaalsContact CA-OG 3.27Å; N234-S237 WeakPolarHBondContact CA-OG 3.43Å; N234-S237 PolarHBondContact O-OG 3.14Å; N234-K238 WeakPolarHBondContact O-CG 3.44Å; N234-K238 PolarHBondContact O-N 3.42Å
235E66.5Low65.6Low28 Ų2877.7 Ų77.713%0.13142%0.415CS..Hα-helixtrans-90.3-34.4-178.8-65.7-171.3164.100111.7S232 S237 K238 I239 K270 K273S232-E235 PolarHBondContact O-N 2.96Å; E235-S237 VanDerWaalsContact C-N 3.3Å; E235-K238 WeakPolarHBondContact O-CB 3.28Å; E235-K238 PolarHBondContact O-N 3.1Å; E235-I239 WeakPolarHBondContact O-CG1 3.29Å; E235-I239 PolarHBondContact O-N 2.85Å; E235-K270 VanDerWaalsContact OE2-CB 3.27Å; E235-K270 WeakPolarHBondContact OE2-CB 3.48Å; E235-K270 WeakPolarHBondContact OE2-CD 3.31Å; E235-K270 VanDerWaalsContact OE2-CG 3.23Å; E235-K270 WeakPolarHBondContact OE2-CG 3.4Å; E235-K273 IonicContact OE1-NZ 3.74Å; E235-K273 PolarHBondContact OE1-NZ 3.44Å
236E72Confident67.2Low84 Ų8477 Ų7739%0.39341%0.412SS..Hα-helixtrans-63.1-39.1167.4-74.2-167.1-175.900111.3S232 I239 K240S232-E236 VanDerWaalsContact O-CB 3.26Å; S232-E236 WeakPolarHBondContact O-CB 3.31Å; S232-E236 WeakPolarHBondContact O-CG 3.3Å; S232-E236 PolarHBondContact O-N 3.45Å; E236-I239 PolarHBondContact O-N 3.15Å; E236-K240 VanDerWaalsContact O-CB 3.28Å; E236-K240 WeakPolarHBondContact O-CB 3.42Å; E236-K240 WeakPolarHBondContact O-CD 3.43Å; E236-K240 WeakPolarHBondContact O-CG 3.33Å; E236-K240 PolarHBondContact O-N 2.99Å; E236-K240 IonicContact OE2-NZ 2.73Å; E236-K240 PolarHBondContact OE2-NZ 2.98Å
237S75.9Confident68.9Low42 Ų4280.9 Ų80.929%0.29441%0.414SS..Hα-helixtrans-63.4-41.217255.60000111.6D233 N234 E235 I239 K240 Q241D233-S237 WeakPolarHBondContact O-CB 3.29Å; D233-S237 PolarHBondContact O-N 3.37Å; D233-S237 PolarHBondContact O-OG 3.23Å; N234-S237 VanDerWaalsContact CA-OG 3.27Å; N234-S237 WeakPolarHBondContact CA-OG 3.43Å; N234-S237 PolarHBondContact O-OG 3.14Å; E235-S237 VanDerWaalsContact C-N 3.3Å; S237-I239 PolarHBondContact O-N 2.94Å; S237-K240 CarbonylContact O-C 3.59Å; S237-K240 PolarHBondContact O-N 3.13Å; S237-Q241 WeakPolarHBondContact O-CB 3.28Å; S237-Q241 VanDerWaalsContact O-CG 3.23Å; S237-Q241 WeakPolarHBondContact O-CG 3.22Å; S237-Q241 PolarHBondContact O-N 3.47Å
238K81.6Confident70.5Confident107 Ų10782.3 Ų82.347%0.46542%0.419SS..Hα-helixtrans-58.4-44.7170.8-75.9174.7-175.9-176.30112.5N234 E235 Q241 L242N234-K238 WeakPolarHBondContact O-CG 3.44Å; N234-K238 PolarHBondContact O-N 3.42Å; E235-K238 WeakPolarHBondContact O-CB 3.28Å; E235-K238 PolarHBondContact O-N 3.1Å; K238-Q241 PolarHBondContact O-N 3.39Å; K238-L242 WeakPolarHBondContact O-CB 3.32Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.33Å; K238-L242 PolarHBondContact O-N 3.25Å
239I84.8Confident71.9Confident24 Ų2481.2 Ų81.212%0.12342%0.416CS..Hα-helixtrans-66.1-40.4177.1-66.4166.4000110.6E235 E236 S237 L242 R243 I263 V266E235-I239 WeakPolarHBondContact O-CG1 3.29Å; E235-I239 PolarHBondContact O-N 2.85Å; E236-I239 PolarHBondContact O-N 3.15Å; S237-I239 PolarHBondContact O-N 2.94Å; I239-L242 PolarHBondContact O-N 2.92Å; I239-R243 WeakPolarHBondContact O-CB 3.34Å; I239-R243 VanDerWaalsContact O-CG 3.29Å; I239-R243 WeakPolarHBondContact O-CG 3.4Å; I239-R243 PolarHBondContact O-N 3.34Å; I239-I263 HydrophobicContact CG2-CG1 4.45Å; I239-V266 HydrophobicContact CD1-CG1 4.3Å; I239-V266 HydrophobicContact CG1-CG1 4.11Å
240K84.9Confident73.6Confident124 Ų12485 Ų8554%0.53944%0.44SS..Hα-helixtrans-63-42.4174.8-73.9165.6-173.1164.70110.8E236 S237 R243 L244E236-K240 VanDerWaalsContact O-CB 3.28Å; E236-K240 WeakPolarHBondContact O-CB 3.42Å; E236-K240 WeakPolarHBondContact O-CD 3.43Å; E236-K240 WeakPolarHBondContact O-CG 3.33Å; E236-K240 PolarHBondContact O-N 2.99Å; E236-K240 IonicContact OE2-NZ 2.73Å; E236-K240 PolarHBondContact OE2-NZ 2.98Å; S237-K240 CarbonylContact O-C 3.59Å; S237-K240 PolarHBondContact O-N 3.13Å; K240-R243 PolarHBondContact O-N 2.93Å; K240-L244 VanDerWaalsContact O-CB 3.26Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 PolarHBondContact O-N 3.49Å
241Q84.7Confident75.3Confident129 Ų12989.9 Ų89.960%0.60345%0.452SS*.Hα-helixtrans-63.5-44.9174.5-75.4172.31.100111.6S237 K238 R243 L244 G245S237-Q241 WeakPolarHBondContact O-CB 3.28Å; S237-Q241 VanDerWaalsContact O-CG 3.23Å; S237-Q241 WeakPolarHBondContact O-CG 3.22Å; S237-Q241 PolarHBondContact O-N 3.47Å; K238-Q241 PolarHBondContact O-N 3.39Å; Q241-R243 VanDerWaalsContact C-N 3.34Å; Q241-R243 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 2.98Å; Q241-G245 PolarHBondContact O-N 3.3Å
242L84.5Confident77.1Confident60 Ų6087.3 Ų87.331%0.31444%0.444SS..Hα-helixtrans-60.7-43.1174.8-74172.5000111.7K238 I239 H246 L259 V266K238-L242 WeakPolarHBondContact O-CB 3.32Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.33Å; K238-L242 PolarHBondContact O-N 3.25Å; I239-L242 PolarHBondContact O-N 2.92Å; L242-H246 PolarHBondContact O-N 3.05Å; L242-L259 HydrophobicContact CB-CD1 3.79Å; L242-L259 WeakPolarHBondContact O-CD1 3.26Å; L242-V266 HydrophobicContact CD1-CG2 4.2Å
243R86.1Confident78.7Confident151 Ų15194 Ų9457%0.5747%0.471SS*.Hα-helixtrans-66.6-39.8175.9-74.2177.3179173.71.5112I239 K240 Q241 H246 R247 I263I239-R243 WeakPolarHBondContact O-CB 3.34Å; I239-R243 VanDerWaalsContact O-CG 3.29Å; I239-R243 WeakPolarHBondContact O-CG 3.4Å; I239-R243 PolarHBondContact O-N 3.34Å; K240-R243 PolarHBondContact O-N 2.93Å; Q241-R243 VanDerWaalsContact C-N 3.34Å; Q241-R243 PolarHBondContact O-N 3.01Å; R243-H246 PolarHBondContact O-N 3.01Å; R243-R247 PolarHBondContact O-N 3.19Å; R243-R247 VanDerWaalsContact O-N 3.1Å; R243-I263 HydrophobicContact CG-CD1 4.4Å
244L84.3Confident80.4Confident90 Ų9092 Ų9247%0.47147%0.472SS..Hα-helixtrans-64.9-46.9176.5-175.363.7000110.6K240 Q241 H246 R247 V248K240-L244 VanDerWaalsContact O-CB 3.26Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 PolarHBondContact O-N 3.49Å; Q241-L244 PolarHBondContact O-N 2.98Å; L244-H246 PolarHBondContact O-N 2.87Å; L244-R247 WeakPolarHBondContact O-CA 3.24Å; L244-R247 WeakPolarHBondContact O-CB 3.3Å; L244-R247 PolarHBondContact O-N 2.86Å; L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 2.95Å
245G81.6Confident81.2Confident42 Ų4291.9 Ų91.943%0.43346%0.464SS..Hα-helixtrans-60.5-28174.900000113.1Q241 R255Q241-G245 PolarHBondContact O-N 3.3Å; G245-R255 PolarHBondContact O-NH2 3.19Å
246H83.5Confident82.2Confident27 Ų2795.3 Ų95.313%0.12548%0.48CS..Hα-helixtrans-77.7-25.7171.1-170.4-77.4000113.4L242 R243 L244 Q256 L259L242-H246 PolarHBondContact O-N 3.05Å; R243-H246 PolarHBondContact O-N 3.01Å; L244-H246 PolarHBondContact O-N 2.87Å; H246-Q256 WeakPolarHBondContact NE2-CA 3.35Å; H246-Q256 PolarHBondContact NE2-N 3.38Å; H246-L259 HydrophobicContact CB-CD1 4.38Å; H246-L259 HydrophobicContact CB-CD2 3.77Å
247R81.8Confident83Confident194 Ų19497.3 Ų97.373%0.73249%0.487SS*.Hα-helixtrans-71-31-179.1-166171.275.2169.13.5112.7R243 L244 G249R243-R247 PolarHBondContact O-N 3.19Å; R243-R247 VanDerWaalsContact O-N 3.1Å; L244-R247 WeakPolarHBondContact O-CA 3.24Å; L244-R247 WeakPolarHBondContact O-CB 3.3Å; L244-R247 PolarHBondContact O-N 2.86Å; R247-G249 VanDerWaalsContact C-N 3.28Å; R247-G249 PolarHBondContact O-N 3.21Å
248V79.8Confident83.5Confident119 Ų119104.3 Ų104.372%0.72151%0.507SS*.THydrogen-bonded Turntrans-8721.7-169.8-1710000113.1L244L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 2.95Å
249G73.8Confident83.8Confident28 Ų28100.6 Ų100.629%0.28949%0.492SS..SBendtrans-157177.9175.700000115R247 K251R247-G249 VanDerWaalsContact C-N 3.28Å; R247-G249 PolarHBondContact O-N 3.21Å; G249-K251 PolarHBondContact O-N 3.07Å
250V79.2Confident84.1Confident119 Ų119103.4 Ų103.472%0.72151%0.505SS*.  trans-58.1126.3-178.2-176.60000110.2T252V250-T252 HydrophobicContact CG1-CG2 4.24Å; V250-T252 PolarHBondContact O-N 3.24Å
251K80.9Confident84.3Confident179 Ų179106.1 Ų106.178%0.77851%0.512SS*.  trans-74.389.2-179.5-64.8-179-177.5175.70109.9G249G249-K251 PolarHBondContact O-N 3.07Å
252T85.5Confident84.5Confident71 Ų71102 Ų10244%0.43650%0.497SS..  trans-96.3144.1171.568.40000110.9V250 G254 R255 Q256V250-T252 HydrophobicContact CG1-CG2 4.24Å; V250-T252 PolarHBondContact O-N 3.24Å; T252-G254 PolarHBondContact O-N 2.99Å; T252-R255 PolarHBondContact O-N 3.21Å; T252-R255 VanDerWaalsContact O-N 3.12Å; T252-R255 VanDerWaalsContact OG1-CB 3.29Å; T252-R255 WeakPolarHBondContact OG1-CB 3.39Å; T252-R255 PolarHBondContact OG1-N 3.41Å; T252-Q256 PolarHBondContact O-N 3.36Å
253K85Confident84.8Confident166 Ų166100.4 Ų100.472%0.72249%0.488SS*.Hα-helixtrans-57.3-33.7176.9-69.7-175.4177.8-179.10112.3K257K253-K257 WeakPolarHBondContact O-CG 3.49Å; K253-K257 PolarHBondContact O-N 2.97Å
254G87.1Confident85Confident51 Ų51100.1 Ų100.153%0.52649%0.491SS..Hα-helixtrans-65.5-43176.300000112.8T252 K257 R258T252-G254 PolarHBondContact O-N 2.99Å; G254-K257 PolarHBondContact O-N 2.92Å; G254-R258 PolarHBondContact O-N 2.86Å
255R82.8Confident85.2Confident95 Ų95100.7 Ų100.736%0.35849%0.491SS..Hα-helixtrans-67.1-39.9177-167.1-177.8-179.2156.7-0.7111.9G245 T252 R258 L259G245-R255 PolarHBondContact O-NH2 3.19Å; T252-R255 PolarHBondContact O-N 3.21Å; T252-R255 VanDerWaalsContact O-N 3.12Å; T252-R255 VanDerWaalsContact OG1-CB 3.29Å; T252-R255 WeakPolarHBondContact OG1-CB 3.39Å; T252-R255 PolarHBondContact OG1-N 3.41Å; R255-R258 WeakPolarHBondContact O-CB 3.32Å; R255-R258 PolarHBondContact O-N 3.06Å; R255-L259 PolarHBondContact O-N 3.17Å
256Q85.8Confident85.5Confident99 Ų9999.6 Ų99.646%0.46348%0.476SS..Hα-helixtrans-61.4-46.1173.8-176177.5-10.800111.5H246 T252 R258 L259 E260H246-Q256 WeakPolarHBondContact NE2-CA 3.35Å; H246-Q256 PolarHBondContact NE2-N 3.38Å; T252-Q256 PolarHBondContact O-N 3.36Å; Q256-R258 VanDerWaalsContact C-N 3.29Å; Q256-R258 PolarHBondContact O-N 3.21Å; Q256-L259 WeakPolarHBondContact O-CB 3.38Å; Q256-L259 PolarHBondContact O-N 3.1Å; Q256-E260 PolarHBondContact NE2-OE1 3.43Å; Q256-E260 WeakPolarHBondContact O-CG 3.45Å; Q256-E260 PolarHBondContact O-N 3.16Å
257K88.9Confident85.7Confident126 Ų126101.4 Ų101.455%0.54849%0.487SS..Hα-helixtrans-60.5-37.4174-74.2-179.4179.8-172.80112.3K253 G254 R261K253-K257 WeakPolarHBondContact O-CG 3.49Å; K253-K257 PolarHBondContact O-N 2.97Å; G254-K257 PolarHBondContact O-N 2.92Å; K257-R261 WeakPolarHBondContact O-CB 3.45Å; K257-R261 VanDerWaalsContact O-CG 3.25Å; K257-R261 WeakPolarHBondContact O-CG 3.49Å; K257-R261 PolarHBondContact O-N 2.92Å
258R87.3Confident85.9Confident189 Ų18997.5 Ų97.571%0.71348%0.475SS*.Hα-helixtrans-65.3-45175.3-168.3175.2-177.6172.80.1111.2G254 R255 Q256 R261 S262G254-R258 PolarHBondContact O-N 2.86Å; R255-R258 WeakPolarHBondContact O-CB 3.32Å; R255-R258 PolarHBondContact O-N 3.06Å; Q256-R258 VanDerWaalsContact C-N 3.29Å; Q256-R258 PolarHBondContact O-N 3.21Å; R258-R261 PolarHBondContact O-N 3.27Å; R258-S262 PolarHBondContact O-N 2.67Å; R258-S262 PolarHBondContact O-OG 3.5Å
259L88.3Confident86Confident29 Ų2995.6 Ų95.615%0.15246%0.458CS..Hα-helixtrans-58.4-48.7174.5176.368.3000111.5L242 H246 R255 Q256 R261 S262 I263L242-L259 HydrophobicContact CB-CD1 3.79Å; L242-L259 WeakPolarHBondContact O-CD1 3.26Å; H246-L259 HydrophobicContact CB-CD1 4.38Å; H246-L259 HydrophobicContact CB-CD2 3.77Å; R255-L259 PolarHBondContact O-N 3.17Å; Q256-L259 WeakPolarHBondContact O-CB 3.38Å; Q256-L259 PolarHBondContact O-N 3.1Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 3.36Å; L259-S262 PolarHBondContact O-N 2.99Å; L259-I263 HydrophobicContact CD1-CD1 3.9Å; L259-I263 HydrophobicContact CD1-CG1 4.17Å; L259-I263 HydrophobicContact CD2-CD1 4.37Å; L259-I263 HydrophobicContact CG-CD1 3.81Å; L259-I263 HydrophobicContact CG-CG1 4.41Å; L259-I263 WeakPolarHBondContact O-CG1 3.24Å; L259-I263 PolarHBondContact O-N 2.97Å
260E89.6Confident86.3Confident84 Ų8497.4 Ų97.439%0.39346%0.459SS..Hα-helixtrans-60.8-40.6178.2-73.4172.7-164.500111.8Q256 K264Q256-E260 PolarHBondContact NE2-OE1 3.43Å; Q256-E260 WeakPolarHBondContact O-CG 3.45Å; Q256-E260 PolarHBondContact O-N 3.16Å; E260-K264 VanDerWaalsContact O-CB 3.31Å; E260-K264 WeakPolarHBondContact O-CB 3.25Å; E260-K264 WeakPolarHBondContact O-CG 3.35Å; E260-K264 PolarHBondContact O-N 3.39Å
261R90.5Very high86.1Confident181 Ų18196.9 Ų96.968%0.68345%0.448SS*.Hα-helixtrans-63.4-43.5173.5-72.8172.9-170.5175.10.9111.9K257 R258 L259 K264 H265K257-R261 WeakPolarHBondContact O-CB 3.45Å; K257-R261 VanDerWaalsContact O-CG 3.25Å; K257-R261 WeakPolarHBondContact O-CG 3.49Å; K257-R261 PolarHBondContact O-N 2.92Å; R258-R261 PolarHBondContact O-N 3.27Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 3.36Å; R261-K264 PolarHBondContact O-N 2.81Å; R261-H265 WeakPolarHBondContact O-CB 3.5Å; R261-H265 PolarHBondContact O-N 3.05Å
262S88.8Confident85.9Confident41 Ų4194.7 Ų94.729%0.28744%0.435SS..Hα-helixtrans-64.7-44.7177.6-64.30000112.1R258 L259 K264 H265 V266R258-S262 PolarHBondContact O-N 2.67Å; R258-S262 PolarHBondContact O-OG 3.5Å; L259-S262 PolarHBondContact O-N 2.99Å; S262-K264 VanDerWaalsContact C-N 3.34Å; S262-K264 PolarHBondContact O-N 3.27Å; S262-H265 WeakPolarHBondContact O-CB 3.38Å; S262-H265 PolarHBondContact O-N 3.46Å; S262-H265 VanDerWaalsContact O-N 3.16Å; S262-V266 WeakPolarHBondContact O-CG2 3.41Å; S262-V266 PolarHBondContact O-N 3.19Å
263I90.7Very high85.5Confident27 Ų2797 Ų9714%0.13844%0.439CS..Hα-helixtrans-62.1-43.2174.8-66.6171.2000110.3I239 R243 L259 H265 V266 N267I239-I263 HydrophobicContact CG2-CG1 4.45Å; R243-I263 HydrophobicContact CG-CD1 4.4Å; L259-I263 HydrophobicContact CD1-CD1 3.9Å; L259-I263 HydrophobicContact CD1-CG1 4.17Å; L259-I263 HydrophobicContact CD2-CD1 4.37Å; L259-I263 HydrophobicContact CG-CD1 3.81Å; L259-I263 HydrophobicContact CG-CG1 4.41Å; L259-I263 WeakPolarHBondContact O-CG1 3.24Å; L259-I263 PolarHBondContact O-N 2.97Å; I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 PolarHBondContact O-N 2.93Å; I263-V266 PolarHBondContact O-N 3.44Å; I263-N267 WeakPolarHBondContact O-CB 3.22Å; I263-N267 VanDerWaalsContact O-CG 3.31Å; I263-N267 PolarHBondContact O-N 3.09Å
264K90.1Very high84.9Confident145 Ų14592.3 Ų92.363%0.6342%0.421SS*.Hα-helixtrans-60.7-38.7174.3-76173.5-177.7-178.70111.9E260 R261 S262 K268E260-K264 VanDerWaalsContact O-CB 3.31Å; E260-K264 WeakPolarHBondContact O-CB 3.25Å; E260-K264 WeakPolarHBondContact O-CG 3.35Å; E260-K264 PolarHBondContact O-N 3.39Å; R261-K264 PolarHBondContact O-N 2.81Å; S262-K264 VanDerWaalsContact C-N 3.34Å; S262-K264 PolarHBondContact O-N 3.27Å; K264-K268 VanDerWaalsContact O-CB 3.24Å; K264-K268 WeakPolarHBondContact O-CB 3.2Å; K264-K268 PolarHBondContact O-N 3.48Å
265H88.6Confident84.2Confident102 Ų10295.3 Ų95.347%0.47242%0.42SS..Hα-helixtrans-63.6-50.6176-168.2-89.9000111.5R261 S262 I263 N267 K268 E269R261-H265 WeakPolarHBondContact O-CB 3.5Å; R261-H265 PolarHBondContact O-N 3.05Å; S262-H265 WeakPolarHBondContact O-CB 3.38Å; S262-H265 PolarHBondContact O-N 3.46Å; S262-H265 VanDerWaalsContact O-N 3.16Å; I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 PolarHBondContact O-N 2.93Å; H265-N267 VanDerWaalsContact C-N 3.35Å; H265-N267 PolarHBondContact O-N 3.44Å; H265-K268 PolarHBondContact O-N 3.27Å; H265-K268 VanDerWaalsContact O-N 3.13Å; H265-E269 IonicContact CE1-OE1 3.03Å; H265-E269 PolarHBondContact CE1-OE1 3Å; H265-E269 IonicContact CE1-OE2 2.86Å; H265-E269 IonicContact ND1-OE1 3.97Å; H265-E269 IonicContact ND1-OE2 3.68Å; H265-E269 WeakPolarHBondContact O-CG 3.49Å; H265-E269 PolarHBondContact O-N 2.82Å
266V88.4Confident83.7Confident19 Ų1996.4 Ų96.412%0.11543%0.427CS..Hα-helixtrans-58.1-46.3177.51740000111I239 L242 S262 I263 K268 E269 K270I239-V266 HydrophobicContact CD1-CG1 4.3Å; I239-V266 HydrophobicContact CG1-CG1 4.11Å; L242-V266 HydrophobicContact CD1-CG2 4.2Å; S262-V266 WeakPolarHBondContact O-CG2 3.41Å; S262-V266 PolarHBondContact O-N 3.19Å; I263-V266 PolarHBondContact O-N 3.44Å; V266-K268 PolarHBondContact O-N 3.26Å; V266-E269 PolarHBondContact O-N 3.01Å; V266-K270 WeakPolarHBondContact O-CB 3.31Å; V266-K270 PolarHBondContact O-N 3.14Å
267N87.1Confident83Confident66 Ų6697 Ų9735%0.35343%0.425SS..Hα-helixtrans-63.2-40.1176.7-71.2-14.2000112.2I263 H265 K270 E271I263-N267 WeakPolarHBondContact O-CB 3.22Å; I263-N267 VanDerWaalsContact O-CG 3.31Å; I263-N267 PolarHBondContact O-N 3.09Å; H265-N267 VanDerWaalsContact C-N 3.35Å; H265-N267 PolarHBondContact O-N 3.44Å; N267-K270 WeakPolarHBondContact O-CB 3.3Å; N267-K270 PolarHBondContact O-N 2.94Å; N267-E271 WeakPolarHBondContact O-CG 3.46Å; N267-E271 PolarHBondContact O-N 3.19Å
268K86Confident82.3Confident112 Ų11292 Ų9249%0.48741%0.405SS..Hα-helixtrans-66.7-37.4177.4-171.5177.7-176.5-178.50111.8K264 H265 V266 R272K264-K268 VanDerWaalsContact O-CB 3.24Å; K264-K268 WeakPolarHBondContact O-CB 3.2Å; K264-K268 PolarHBondContact O-N 3.48Å; H265-K268 PolarHBondContact O-N 3.27Å; H265-K268 VanDerWaalsContact O-N 3.13Å; V266-K268 PolarHBondContact O-N 3.26Å; K268-R272 WeakPolarHBondContact O-CB 3.43Å; K268-R272 VanDerWaalsContact O-CG 3.22Å; K268-R272 WeakPolarHBondContact O-CG 3.3Å; K268-R272 PolarHBondContact O-N 3.43Å
269E82.4Confident81.5Confident78 Ų7886.9 Ų86.936%0.36439%0.389SS..Hα-helixtrans-65.4-44.5172.6-73.2-175.5143.700111.8H265 V266 E271 R272 K273H265-E269 IonicContact CE1-OE1 3.03Å; H265-E269 PolarHBondContact CE1-OE1 3Å; H265-E269 IonicContact CE1-OE2 2.86Å; H265-E269 IonicContact ND1-OE1 3.97Å; H265-E269 IonicContact ND1-OE2 3.68Å; H265-E269 WeakPolarHBondContact O-CG 3.49Å; H265-E269 PolarHBondContact O-N 2.82Å; V266-E269 PolarHBondContact O-N 3.01Å; E269-E271 PolarHBondContact O-N 2.95Å; E269-R272 WeakPolarHBondContact O-CB 3.36Å; E269-R272 PolarHBondContact O-N 3.46Å; E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.21Å
270K79Confident80.9Confident67 Ų6790.1 Ų90.129%0.29141%0.406SS..Hα-helixtrans-54.8-51.7173.6-178.3177.8-178.7174.40111.2E235 V266 N267 R272 K273 I274E235-K270 VanDerWaalsContact OE2-CB 3.27Å; E235-K270 WeakPolarHBondContact OE2-CB 3.48Å; E235-K270 WeakPolarHBondContact OE2-CD 3.31Å; E235-K270 VanDerWaalsContact OE2-CG 3.23Å; E235-K270 WeakPolarHBondContact OE2-CG 3.4Å; V266-K270 WeakPolarHBondContact O-CB 3.31Å; V266-K270 PolarHBondContact O-N 3.14Å; N267-K270 WeakPolarHBondContact O-CB 3.3Å; N267-K270 PolarHBondContact O-N 2.94Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 2.9Å; K270-K273 PolarHBondContact O-N 3.44Å; K270-I274 HydrophobicContact CG-CD1 3.79Å; K270-I274 VanDerWaalsContact O-CG1 3.29Å; K270-I274 WeakPolarHBondContact O-CG1 3.41Å; K270-I274 PolarHBondContact O-N 3.49Å
271E75.4Confident80.2Confident108 Ų10886.6 Ų86.651%0.50539%0.391SS..Hα-helixtrans-59.8-41.2177.5-74.5179.8-167.100112.4N267 E269 K275N267-E271 WeakPolarHBondContact O-CG 3.46Å; N267-E271 PolarHBondContact O-N 3.19Å; E269-E271 PolarHBondContact O-N 2.95Å; E271-K275 WeakPolarHBondContact O-CB 3.37Å; E271-K275 WeakPolarHBondContact O-CG 3.34Å; E271-K275 PolarHBondContact O-N 3.27Å
272R76.1Confident79.7Confident132 Ų13278.2 Ų78.250%0.49836%0.359SS..Hα-helixtrans-63.4-44.7176.2-76.9169170.8-175.5-6.3111.8K268 E269 K270 K275 K276K268-R272 WeakPolarHBondContact O-CB 3.43Å; K268-R272 VanDerWaalsContact O-CG 3.22Å; K268-R272 WeakPolarHBondContact O-CG 3.3Å; K268-R272 PolarHBondContact O-N 3.43Å; E269-R272 WeakPolarHBondContact O-CB 3.36Å; E269-R272 PolarHBondContact O-N 3.46Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 2.9Å; R272-K275 PolarHBondContact O-N 2.82Å; R272-K276 WeakPolarHBondContact O-CB 3.08Å; R272-K276 VanDerWaalsContact O-CG 3.31Å; R272-K276 WeakPolarHBondContact O-CG 3.33Å; R272-K276 PolarHBondContact O-N 3.16Å
273K76.8Confident79.3Confident119 Ų11979.1 Ų79.152%0.51736%0.358SS..Hα-helixtrans-64.1-44.8177.9-72.3177.4-172.8172.20111.7E235 E269 K270 K276 R277E235-K273 IonicContact OE1-NZ 3.74Å; E235-K273 PolarHBondContact OE1-NZ 3.44Å; E269-K273 WeakPolarHBondContact O-CG 3.5Å; E269-K273 PolarHBondContact O-N 3.21Å; K270-K273 PolarHBondContact O-N 3.44Å; K273-K276 PolarHBondContact O-N 3.26Å; K273-R277 WeakPolarHBondContact O-CB 3.38Å; K273-R277 PolarHBondContact O-N 3.21Å
274I74.1Confident79Confident69 Ų6981 Ų8135%0.35437%0.366SS..Hα-helixtrans-60.5-48.8176.4-67168.3000109.7K270 K276 R277 T278K270-I274 HydrophobicContact CG-CD1 3.79Å; K270-I274 VanDerWaalsContact O-CG1 3.29Å; K270-I274 WeakPolarHBondContact O-CG1 3.41Å; K270-I274 PolarHBondContact O-N 3.49Å; I274-K276 PolarHBondContact O-N 3.47Å; I274-R277 PolarHBondContact O-N 2.94Å; I274-T278 HydrophobicContact CG2-CG2 4.19Å; I274-T278 WeakPolarHBondContact O-CB 3.22Å; I274-T278 VanDerWaalsContact O-CG2 3.31Å; I274-T278 WeakPolarHBondContact O-CG2 3.23Å; I274-T278 PolarHBondContact O-N 3.37Å; I274-T278 PolarHBondContact O-OG1 3.4Å; I274-T278 VanDerWaalsContact O-OG1 3.09Å
275K71.8Confident78.9Confident114 Ų11474.1 Ų74.150%0.49634%0.336SS..Hα-helixtrans-57.1-51.7177.5-75170.2-176.8172.10111.9E271 R272 R277 T278 E279E271-K275 WeakPolarHBondContact O-CB 3.37Å; E271-K275 WeakPolarHBondContact O-CG 3.34Å; E271-K275 PolarHBondContact O-N 3.27Å; R272-K275 PolarHBondContact O-N 2.82Å; K275-R277 PolarHBondContact O-N 3.4Å; K275-T278 WeakPolarHBondContact CA-OG1 3.44Å; K275-T278 PolarHBondContact O-N 2.98Å; K275-T278 PolarHBondContact O-OG1 2.73Å; K275-E279 WeakPolarHBondContact O-CB 3.33Å; K275-E279 WeakPolarHBondContact O-CG 3.01Å; K275-E279 PolarHBondContact O-N 2.92Å
276K72.2Confident78.9Confident118 Ų11869.5 Ų69.551%0.51332%0.315SS..Hα-helixtrans-56.2-47.8176.5-73.8-179.3177.9-168.80112.1R272 K273 I274 E279 L280R272-K276 WeakPolarHBondContact O-CB 3.08Å; R272-K276 VanDerWaalsContact O-CG 3.31Å; R272-K276 WeakPolarHBondContact O-CG 3.33Å; R272-K276 PolarHBondContact O-N 3.16Å; K273-K276 PolarHBondContact O-N 3.26Å; I274-K276 PolarHBondContact O-N 3.47Å; K276-E279 PolarHBondContact O-N 3.22Å; K276-L280 WeakPolarHBondContact O-CB 3.4Å; K276-L280 WeakPolarHBondContact O-CD1 3.38Å; K276-L280 VanDerWaalsContact O-CG 3.25Å; K276-L280 WeakPolarHBondContact O-CG 3.34Å; K276-L280 PolarHBondContact O-N 2.99Å
277R71.8Confident78.9Confident111 Ų11171.8 Ų71.842%0.41933%0.327SS..Hα-helixtrans-61.7-45.8177.9-176.6177.8174.2-179.4-1.2111.2K273 I274 K275 L280 T281K273-R277 WeakPolarHBondContact O-CB 3.38Å; K273-R277 PolarHBondContact O-N 3.21Å; I274-R277 PolarHBondContact O-N 2.94Å; K275-R277 PolarHBondContact O-N 3.4Å; R277-L280 PolarHBondContact O-N 3.33Å; R277-T281 WeakPolarHBondContact O-CG2 3.37Å; R277-T281 PolarHBondContact O-N 3.23Å; R277-T281 PolarHBondContact O-OG1 3.23Å
278T72.4Confident79.1Confident20 Ų2071.8 Ų71.812%0.12333%0.325CS..Hα-helixtrans-62.5-45.8178.755.50000111.5I274 K275 L280 T281 N282I274-T278 HydrophobicContact CG2-CG2 4.19Å; I274-T278 WeakPolarHBondContact O-CB 3.22Å; I274-T278 VanDerWaalsContact O-CG2 3.31Å; I274-T278 WeakPolarHBondContact O-CG2 3.23Å; I274-T278 PolarHBondContact O-N 3.37Å; I274-T278 PolarHBondContact O-OG1 3.4Å; I274-T278 VanDerWaalsContact O-OG1 3.09Å; K275-T278 WeakPolarHBondContact CA-OG1 3.44Å; K275-T278 PolarHBondContact O-N 2.98Å; K275-T278 PolarHBondContact O-OG1 2.73Å; T278-L280 VanDerWaalsContact C-N 3.35Å; T278-L280 PolarHBondContact O-N 3.25Å; T278-T281 WeakPolarHBondContact CA-OG1 3.26Å; T278-T281 PolarHBondContact O-N 2.74Å; T278-T281 PolarHBondContact O-OG1 3.24Å; T278-N282 WeakPolarHBondContact O-CB 3.24Å; T278-N282 PolarHBondContact O-N 3.29Å; T278-N282 PolarHBondContact O-ND2 3.22Å; T278-N282 PolarHBondContact O-OD1 3.4Å
279E70.7Confident79.4Confident82 Ų8267.1 Ų67.138%0.38331%0.306SS..Hα-helixtrans-60.3-44177.7-73.5171.8-166.600111.7K275 K276 N282 F283K275-E279 WeakPolarHBondContact O-CB 3.33Å; K275-E279 WeakPolarHBondContact O-CG 3.01Å; K275-E279 PolarHBondContact O-N 2.92Å; K276-E279 PolarHBondContact O-N 3.22Å; E279-N282 PolarHBondContact O-N 3.14Å; E279-F283 VanDerWaalsContact O-CB 3.28Å; E279-F283 WeakPolarHBondContact O-CB 3.39Å; E279-F283 PolarHBondContact O-N 2.97Å
280L75.8Confident79.5Confident98 Ų9869.3 Ų69.351%0.51332%0.316SS..Hα-helixtrans-60.9-44.8174-72.8164.2000111.9K276 R277 T278 N282 F283 H284 L665K276-L280 WeakPolarHBondContact O-CB 3.4Å; K276-L280 WeakPolarHBondContact O-CD1 3.38Å; K276-L280 VanDerWaalsContact O-CG 3.25Å; K276-L280 WeakPolarHBondContact O-CG 3.34Å; K276-L280 PolarHBondContact O-N 2.99Å; R277-L280 PolarHBondContact O-N 3.33Å; T278-L280 VanDerWaalsContact C-N 3.35Å; T278-L280 PolarHBondContact O-N 3.25Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 3.1Å; L280-F283 PolarHBondContact O-N 3.23Å; L280-H284 VanDerWaalsContact O-CB 3.24Å; L280-H284 WeakPolarHBondContact O-CB 3.5Å; L280-H284 PolarHBondContact O-N 3.01Å; L280-L665 HydrophobicContact CD2-CD1 4.43Å; L280-L665 HydrophobicContact CD2-CD2 4.39Å
281T75.2Confident80.2Confident10 Ų1069.9 Ų69.96%0.06132%0.322CS..Hα-helixtrans-65.4-37.1178.155.20000112.4R277 T278 A285R277-T281 WeakPolarHBondContact O-CG2 3.37Å; R277-T281 PolarHBondContact O-N 3.23Å; R277-T281 PolarHBondContact O-OG1 3.23Å; T278-T281 WeakPolarHBondContact CA-OG1 3.26Å; T278-T281 PolarHBondContact O-N 2.74Å; T278-T281 PolarHBondContact O-OG1 3.24Å; T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 2.93Å
282N79.8Confident81.1Confident5 Ų566 Ų663%0.02731%0.306CS..Hα-helixtrans-71.2-43.3179.6-57.5-23.9000110.6F213 G216 T278 E279 L280 H284 A285 L286F213-N282 PolarHBondContact O-OD1 2.97Å; F213-N282 VanDerWaalsContact O-OD1 3.07Å; G216-N282 WeakPolarHBondContact CA-ND2 3.25Å; G216-N282 PolarHBondContact N-ND2 2.95Å; T278-N282 WeakPolarHBondContact O-CB 3.24Å; T278-N282 PolarHBondContact O-N 3.29Å; T278-N282 PolarHBondContact O-ND2 3.22Å; T278-N282 PolarHBondContact O-OD1 3.4Å; E279-N282 PolarHBondContact O-N 3.14Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-N282 PolarHBondContact O-N 3.1Å; N282-H284 VanDerWaalsContact C-N 3.33Å; N282-A285 WeakPolarHBondContact O-CB 3.48Å; N282-A285 PolarHBondContact O-N 3.21Å; N282-L286 WeakPolarHBondContact O-CG 3.24Å; N282-L286 PolarHBondContact O-N 3.04Å
283F80.9Confident81.9Confident59 Ų5962.1 Ų62.126%0.25929%0.294SS..Hα-helixtrans-61.2-44.7175-178.2-106.8000111.1E279 L280 A285 L286 N287 L326 L665E279-F283 VanDerWaalsContact O-CB 3.28Å; E279-F283 WeakPolarHBondContact O-CB 3.39Å; E279-F283 PolarHBondContact O-N 2.97Å; L280-F283 PolarHBondContact O-N 3.23Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 3.34Å; F283-L286 PolarHBondContact O-N 3.12Å; F283-N287 WeakPolarHBondContact CE1-ND2 3.43Å; F283-N287 VanDerWaalsContact CZ-ND2 3.27Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.46Å; F283-N287 PolarHBondContact O-N 3.45Å; F283-N287 VanDerWaalsContact O-N 3.09Å; F283-L326 HydrophobicContact CD2-CD1 3.72Å; F283-L326 HydrophobicContact CD2-CD2 4.22Å; F283-L326 HydrophobicContact CE2-CD1 3.7Å; F283-L326 HydrophobicContact CE2-CD2 3.57Å; F283-L326 HydrophobicContact CE2-CG 4.2Å; F283-L665 HydrophobicContact CB-CD1 3.64Å; F283-L665 HydrophobicContact CD1-CD1 3.52Å; F283-L665 HydrophobicContact CD2-CD1 3.89Å; F283-L665 HydrophobicContact CE1-CD1 4.09Å; F283-L665 HydrophobicContact CE2-CD1 4.43Å; F283-L665 HydrophobicContact CG-CD1 3.39Å
284H85.2Confident82.8Confident67 Ų6758.9 Ų58.931%0.3128%0.284SS..Hα-helixtrans-58.4-43.2173-177.664.9000111.7L280 N282 L286 N287 M288L280-H284 VanDerWaalsContact O-CB 3.24Å; L280-H284 WeakPolarHBondContact O-CB 3.5Å; L280-H284 PolarHBondContact O-N 3.01Å; N282-H284 VanDerWaalsContact C-N 3.33Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.02Å; H284-N287 PolarHBondContact O-N 2.89Å; H284-M288 WeakPolarHBondContact O-CG 3.35Å; H284-M288 PolarHBondContact O-N 3.2Å
285A87.9Confident83.7Confident0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-61.2-39.5176.700000113.1F181 F213 F214 T281 N282 F283 M288F181-A285 HydrophobicContact CD1-CB 4.48Å; F181-A285 HydrophobicContact CE1-CB 3.57Å; F181-A285 HydrophobicContact CZ-CB 3.59Å; F213-A285 HydrophobicContact CE1-CB 3.83Å; F213-A285 HydrophobicContact CZ-CB 4.08Å; F214-A285 HydrophobicContact CD1-CB 4.06Å; F214-A285 HydrophobicContact CE1-CB 3.82Å; T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 2.93Å; N282-A285 WeakPolarHBondContact O-CB 3.48Å; N282-A285 PolarHBondContact O-N 3.21Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 3.34Å; A285-M288 PolarHBondContact O-N 2.9Å
286L88.5Confident84.9Confident6 Ų650.9 Ų50.93%0.03125%0.247CC..Hα-helixtrans-67.2-39.4178.4-70.6170.4000112.2F214 N282 F283 H284 M288 L289 L319 L323 L326F214-L286 HydrophobicContact CB-CD2 4.17Å; F214-L286 HydrophobicContact CD1-CD2 3.55Å; F214-L286 HydrophobicContact CD1-CG 3.96Å; F214-L286 HydrophobicContact CE1-CD2 4.19Å; F214-L286 HydrophobicContact CG-CD2 4.07Å; N282-L286 WeakPolarHBondContact O-CG 3.24Å; N282-L286 PolarHBondContact O-N 3.04Å; F283-L286 PolarHBondContact O-N 3.12Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.02Å; L286-M288 VanDerWaalsContact C-N 3.26Å; L286-M288 PolarHBondContact O-N 3.48Å; L286-L289 HydrophobicContact CD2-CD1 4.48Å; L286-L289 WeakPolarHBondContact O-CG 3.35Å; L286-L319 HydrophobicContact CD2-CD1 3.96Å; L286-L323 HydrophobicContact CD2-CD2 3.74Å; L286-L323 HydrophobicContact CD2-CG 4.38Å; L286-L326 HydrophobicContact CB-CD1 4.17Å; L286-L326 HydrophobicContact CD1-CD1 3.7Å
287N88.6Confident85.9Confident66 Ų6648.2 Ų48.235%0.35324%0.236SC..Hα-helixtrans-72.6-18.8179.3-65.6-11.2000113.2F283 H284F283-N287 WeakPolarHBondContact CE1-ND2 3.43Å; F283-N287 VanDerWaalsContact CZ-ND2 3.27Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.46Å; F283-N287 PolarHBondContact O-N 3.45Å; F283-N287 VanDerWaalsContact O-N 3.09Å; H284-N287 PolarHBondContact O-N 2.89Å
288M90.1Very high87Confident66 Ų6648.1 Ų48.133%0.32524%0.239SC..THydrogen-bonded Turntrans-893.5-179.3-68.9-67.69700114A189 A192 N193 H284 A285 L286A189-M288 HydrophobicContact CB-CB 4.37Å; A192-M288 HydrophobicContact CB-CB 4.08Å; N193-M288 PolarHBondContact ND2-O 2.95Å; H284-M288 WeakPolarHBondContact O-CG 3.35Å; H284-M288 PolarHBondContact O-N 3.2Å; A285-M288 PolarHBondContact O-N 2.9Å; L286-M288 VanDerWaalsContact C-N 3.26Å; L286-M288 PolarHBondContact O-N 3.48Å
289L92.6Very high88.1Confident15 Ų1547.2 Ų47.28%0.07923%0.233CC..  trans-71135.6178.7-64.2-179.7000111.8A192 A196 F214 L286 F295 L323A192-L289 HydrophobicContact CB-CD2 4.43Å; A196-L289 HydrophobicContact CB-CD2 3.59Å; F214-L289 HydrophobicContact CE1-CD2 4.4Å; F214-L289 HydrophobicContact CZ-CD2 4.18Å; L286-L289 HydrophobicContact CD2-CD1 4.48Å; L286-L289 WeakPolarHBondContact O-CG 3.35Å; L289-F295 HydrophobicContact CD1-CD1 3.89Å; L289-F295 HydrophobicContact CD1-CE1 4.05Å; L289-L323 HydrophobicContact CD1-CD2 3.85Å
290H85.2Confident89.2Confident124 Ų12443.7 Ų43.757%0.57422%0.217SC*.SBendtrans-84.3112.6170.6-62.7-38.9000107.4N193N193-H290 PolarHBondContact ND2-CD2 3.41Å; N193-H290 VanDerWaalsContact ND2-CG 3.27Å; N193-H290 PolarHBondContact ND2-N 3.11Å; N193-H290 PolarHBondContact ND2-NE2 3.3Å; N193-H290 PolarHBondContact OD1-N 3.14Å
291D93.1Very high90Very high79 Ų7946.2 Ų46.242%0.42222%0.219SC..  trans61.577.3-177-174.410.1000114.7Q293 T294 F295D291-Q293 PolarHBondContact O-N 2.9Å; D291-Q293 PolarHBondContact OD1-N 3.4Å; D291-T294 PolarHBondContact OD1-N 3.35Å; D291-T294 VanDerWaalsContact OD1-N 3.1Å; D291-T294 VanDerWaalsContact OD2-CB 3.23Å; D291-T294 WeakPolarHBondContact OD2-CB 3.46Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.45Å; D291-T294 PolarHBondContact OD2-OG1 3.11Å; D291-F295 PolarHBondContact O-N 2.94Å
292P93.4Very high90.8Very high27 Ų2747.1 Ų47.118%0.17522%0.222CC..Hα-helixtrans-66.3-23.9176.226.9-34.5000113.6A296 N327 L329P292-A296 WeakPolarHBondContact O-CB 3.25Å; P292-A296 PolarHBondContact O-N 2.75Å; P292-N327 HydrophobicContact CB-CB 4.4Å; P292-N327 WeakPolarHBondContact CB-ND2 3.35Å; P292-N327 HydrophobicContact CG-CB 4.08Å; P292-L329 HydrophobicContact CB-CD1 4.35Å; P292-L329 HydrophobicContact CB-CD2 4.33Å; P292-L329 HydrophobicContact CG-CD2 4.17Å
293Q93.7Very high91.4Very high50 Ų5047 Ų4723%0.23422%0.221CC..Hα-helixtrans-66.6-55.9-179.2179.173.425.200110.4D291 F295 A296 E297 L329 V330D291-Q293 PolarHBondContact O-N 2.9Å; D291-Q293 PolarHBondContact OD1-N 3.4Å; Q293-F295 PolarHBondContact O-N 3.16Å; Q293-A296 PolarHBondContact O-N 2.85Å; Q293-E297 PolarHBondContact NE2-OE1 3.39Å; Q293-E297 PolarHBondContact O-N 3.19Å; Q293-L329 HydrophobicContact CB-CD2 4.12Å; Q293-V330 PolarHBondContact NE2-O 2.81Å
294T95Very high91.7Very high50 Ų5049.2 Ų49.231%0.30723%0.233SC..Hα-helixtrans-67.9-28.6-179.366.60000112.1D291 K298D291-T294 PolarHBondContact OD1-N 3.35Å; D291-T294 VanDerWaalsContact OD1-N 3.1Å; D291-T294 VanDerWaalsContact OD2-CB 3.23Å; D291-T294 WeakPolarHBondContact OD2-CB 3.46Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.45Å; D291-T294 PolarHBondContact OD2-OG1 3.11Å; T294-K298 WeakPolarHBondContact O-CB 3.35Å; T294-K298 WeakPolarHBondContact O-CD 3.43Å; T294-K298 WeakPolarHBondContact O-CG 3.24Å; T294-K298 PolarHBondContact O-N 3.07Å
295F94.8Very high91.9Very high14 Ų1456.3 Ų56.36%0.06126%0.257CS..Hα-helixtrans-62.9-47.4172.4-179.9-123.8000112A196 C199 L200 L289 D291 Q293 E297 K298 L299 L323A196-F295 HydrophobicContact CB-CD2 4.26Å; A196-F295 HydrophobicContact CB-CE1 4.24Å; A196-F295 HydrophobicContact CB-CE2 3.84Å; A196-F295 HydrophobicContact CB-CZ 3.81Å; A196-F295 VanDerWaalsContact O-CE2 3.23Å; A196-F295 WeakPolarHBondContact O-CE2 3.18Å; C199-F295 HydrophobicContact CB-CE2 4.16Å; C199-F295 HydrophobicContact CB-CZ 3.95Å; L200-F295 HydrophobicContact CD1-CD2 4.39Å; L200-F295 HydrophobicContact CD2-CD2 4.21Å; L200-F295 HydrophobicContact CD2-CE2 4.04Å; L200-F295 HydrophobicContact CG-CD2 4.36Å; L200-F295 HydrophobicContact CG-CE2 4.09Å; L289-F295 HydrophobicContact CD1-CD1 3.89Å; L289-F295 HydrophobicContact CD1-CE1 4.05Å; D291-F295 PolarHBondContact O-N 2.94Å; Q293-F295 PolarHBondContact O-N 3.16Å; F295-E297 PolarHBondContact O-N 3.46Å; F295-K298 PolarHBondContact O-N 3.15Å; F295-L299 HydrophobicContact CD1-CD1 4.05Å; F295-L299 HydrophobicContact CD2-CD1 4.41Å; F295-L299 HydrophobicContact CD2-CG 4.37Å; F295-L299 HydrophobicContact CE1-CD1 3.58Å; F295-L299 HydrophobicContact CE1-CG 4.47Å; F295-L299 HydrophobicContact CE2-CD1 3.95Å; F295-L299 HydrophobicContact CE2-CD2 4.31Å; F295-L299 HydrophobicContact CE2-CG 3.98Å; F295-L299 HydrophobicContact CG-CD1 4.45Å; F295-L299 HydrophobicContact CZ-CD1 3.53Å; F295-L299 HydrophobicContact CZ-CD2 4.35Å; F295-L299 HydrophobicContact CZ-CG 4.05Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.96Å; F295-L323 HydrophobicContact CD1-CD1 3.61Å; F295-L323 HydrophobicContact CD1-CD2 4.49Å; F295-L323 HydrophobicContact CE1-CD1 3.74Å
296A95.2Very high91.5Very high1 Ų157.2 Ų57.21%0.00826%0.263CS..Hα-helixtrans-61.8-42.6177.100000112.1P292 Q293 L299 F300 L323 L329P292-A296 WeakPolarHBondContact O-CB 3.25Å; P292-A296 PolarHBondContact O-N 2.75Å; Q293-A296 PolarHBondContact O-N 2.85Å; A296-L299 PolarHBondContact O-N 2.88Å; A296-F300 WeakPolarHBondContact O-CB 3.23Å; A296-F300 PolarHBondContact O-N 3.24Å; A296-L323 HydrophobicContact CB-CD1 4.4Å; A296-L329 HydrophobicContact CB-CD1 3.76Å
297E94.6Very high91.2Very high62 Ų6262.2 Ų62.229%0.2930%0.299SS..Hα-helixtrans-62.5-43.6175.9-73.2176.5-163.500112.6Q293 F295 L299 F300 R301 L331Q293-E297 PolarHBondContact NE2-OE1 3.39Å; Q293-E297 PolarHBondContact O-N 3.19Å; F295-E297 PolarHBondContact O-N 3.46Å; E297-L299 VanDerWaalsContact C-N 3.35Å; E297-F300 PolarHBondContact O-N 3.43Å; E297-R301 WeakPolarHBondContact O-CG 3.43Å; E297-R301 PolarHBondContact O-N 3.2Å; E297-L331 HydrophobicContact CG-CD1 3.84Å
298K94.7Very high91Very high110 Ų11060.1 Ų60.148%0.47829%0.287SS..Hα-helixtrans-63.7-40.7176.4-73.2167.9-175.2164.40111.5L200 T294 F295 K302L200-K298 HydrophobicContact CD1-CB 4.28Å; L200-K298 HydrophobicContact CD1-CD 3.89Å; L200-K298 HydrophobicContact CD2-CB 3.69Å; T294-K298 WeakPolarHBondContact O-CB 3.35Å; T294-K298 WeakPolarHBondContact O-CD 3.43Å; T294-K298 WeakPolarHBondContact O-CG 3.24Å; T294-K298 PolarHBondContact O-N 3.07Å; F295-K298 PolarHBondContact O-N 3.15Å; K298-K302 WeakPolarHBondContact O-CB 3.46Å; K298-K302 PolarHBondContact O-N 2.97Å
299L94.2Very high91Very high1 Ų166.2 Ų66.21%0.00531%0.307CS..Hα-helixtrans-63.3-41.4174.3-77.5175.2000111.8C199 L200 F295 A296 E297 K302 L303 L319 I320 L323C199-L299 HydrophobicContact CB-CD2 4.12Å; L200-L299 HydrophobicContact CD2-CD2 3.94Å; L200-L299 HydrophobicContact CD2-CG 4.09Å; F295-L299 HydrophobicContact CD1-CD1 4.05Å; F295-L299 HydrophobicContact CD2-CD1 4.41Å; F295-L299 HydrophobicContact CD2-CG 4.37Å; F295-L299 HydrophobicContact CE1-CD1 3.58Å; F295-L299 HydrophobicContact CE1-CG 4.47Å; F295-L299 HydrophobicContact CE2-CD1 3.95Å; F295-L299 HydrophobicContact CE2-CD2 4.31Å; F295-L299 HydrophobicContact CE2-CG 3.98Å; F295-L299 HydrophobicContact CG-CD1 4.45Å; F295-L299 HydrophobicContact CZ-CD1 3.53Å; F295-L299 HydrophobicContact CZ-CD2 4.35Å; F295-L299 HydrophobicContact CZ-CG 4.05Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.96Å; A296-L299 PolarHBondContact O-N 2.88Å; E297-L299 VanDerWaalsContact C-N 3.35Å; L299-K302 WeakPolarHBondContact O-CB 3.37Å; L299-K302 PolarHBondContact O-N 3.43Å; L299-L303 PolarHBondContact O-N 3.47Å; L299-L319 HydrophobicContact CD1-CD2 3.84Å; L299-L319 HydrophobicContact CD1-CG 4.27Å; L299-I320 HydrophobicContact CB-CD1 4.08Å; L299-I320 HydrophobicContact CB-CG1 4.05Å; L299-I320 HydrophobicContact CD1-CG1 4.41Å; L299-L323 HydrophobicContact CD1-CD1 4.07Å
300F94.5Very high90.9Very high8 Ų867.9 Ų67.94%0.03531%0.313CS..Hα-helixtrans-65.3-46.1177.9-173.6-102.2000111.9A296 E297 K302 L303 E304 I320 L331 N333 F334 F337A296-F300 WeakPolarHBondContact O-CB 3.23Å; A296-F300 PolarHBondContact O-N 3.24Å; E297-F300 PolarHBondContact O-N 3.43Å; F300-K302 PolarHBondContact O-N 2.93Å; F300-L303 HydrophobicContact CD2-CD2 4.47Å; F300-L303 WeakPolarHBondContact O-CA 3.19Å; F300-L303 VanDerWaalsContact O-CB 3.31Å; F300-L303 WeakPolarHBondContact O-CB 3.25Å; F300-L303 PolarHBondContact O-N 2.85Å; F300-E304 HydrophobicContact CD1-CG 4.46Å; F300-E304 HydrophobicContact CE1-CG 4.12Å; F300-E304 WeakPolarHBondContact CE1-OE1 3.07Å; F300-E304 HydrophobicContact CZ-CG 4.38Å; F300-E304 PolarHBondContact O-N 2.73Å; F300-I320 HydrophobicContact CB-CD1 4.28Å; F300-I320 HydrophobicContact CD2-CD1 4.45Å; F300-L331 HydrophobicContact CB-CD2 3.98Å; F300-L331 HydrophobicContact CD2-CD2 4.27Å; F300-L331 HydrophobicContact CG-CD2 4.1Å; F300-N333 HydrophobicContact CE1-CB 3.68Å; F300-N333 HydrophobicContact CZ-CB 3.98Å; F300-N333 WeakPolarHBondContact CZ-O 3.41Å; F300-F334 HydrophobicContact CD2-CD2 4.28Å; F300-F334 HydrophobicContact CE2-CB 4.44Å; F300-F334 HydrophobicContact CE2-CD2 4.3Å; F300-F337 HydrophobicContact CE2-CB 3.95Å; F300-F337 HydrophobicContact CE2-CD1 4.37Å; F300-F337 HydrophobicContact CE2-CG 4.03Å; F300-F337 HydrophobicContact CZ-CB 3.93Å; F300-F337 HydrophobicContact CZ-CD2 4.41Å; F300-F337 HydrophobicContact CZ-CG 4.22Å
301R93.5Very high91.1Very high151 Ų15168 Ų6857%0.5731%0.314SS*.Hα-helixtrans-58.7-37.1173.2-70.2179.6-170.8177.45.9112.4E297 R305E297-R301 WeakPolarHBondContact O-CG 3.43Å; E297-R301 PolarHBondContact O-N 3.2Å; R301-R305 WeakPolarHBondContact O-CG 3.49Å; R301-R305 PolarHBondContact O-N 3.18Å
302K91.5Very high91Very high28 Ų2865.6 Ų65.612%0.12230%0.301CS..Hα-helixtrans-65.2-45.3173.6176.5174.9169.6-176.80110.6C199 M201 K298 L299 F300 E304 R305 C306C199-K302 PolarHBondContact O-NZ 3.38Å; M201-K302 PolarHBondContact O-NZ 3.41Å; K298-K302 WeakPolarHBondContact O-CB 3.46Å; K298-K302 PolarHBondContact O-N 2.97Å; L299-K302 WeakPolarHBondContact O-CB 3.37Å; L299-K302 PolarHBondContact O-N 3.43Å; F300-K302 PolarHBondContact O-N 2.93Å; K302-E304 VanDerWaalsContact C-N 3.33Å; K302-E304 PolarHBondContact O-N 3.25Å; K302-R305 PolarHBondContact O-N 2.91Å; K302-C306 WeakPolarHBondContact O-CB 3.29Å; K302-C306 PolarHBondContact O-N 2.86Å; K302-C306 PolarHBondContact O-SG 3.47Å
303L91.4Very high91Very high2 Ų267.6 Ų67.61%0.0131%0.305CS..Hα-helixtrans-57.1-43.9178.5179.664.4000112.3L299 F300 R305 C306 R313 I316 L317 I320 F337L299-L303 PolarHBondContact O-N 3.47Å; F300-L303 HydrophobicContact CD2-CD2 4.47Å; F300-L303 WeakPolarHBondContact O-CA 3.19Å; F300-L303 VanDerWaalsContact O-CB 3.31Å; F300-L303 WeakPolarHBondContact O-CB 3.25Å; F300-L303 PolarHBondContact O-N 2.85Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 2.88Å; L303-C306 PolarHBondContact O-N 3.33Å; L303-R313 HydrophobicContact CD1-CB 3.85Å; L303-R313 HydrophobicContact CD1-CG 3.96Å; L303-I316 HydrophobicContact CB-CG2 4.06Å; L303-I316 HydrophobicContact CD1-CB 4.15Å; L303-I316 HydrophobicContact CD1-CD1 4.28Å; L303-I316 HydrophobicContact CD1-CG2 4.11Å; L303-I316 HydrophobicContact CD2-CG2 4.42Å; L303-I316 HydrophobicContact CG-CG2 4.43Å; L303-L317 HydrophobicContact CD2-CD2 3.44Å; L303-L317 VanDerWaalsContact CD2-CD2 3.44Å; L303-L317 HydrophobicContact CD2-CG 3.8Å; L303-I320 HydrophobicContact CD2-CD1 4.32Å; L303-F337 HydrophobicContact CD2-CD1 4.28Å; L303-F337 HydrophobicContact CD2-CE1 3.64Å; L303-F337 HydrophobicContact CD2-CZ 4.01Å; L303-F337 HydrophobicContact CG-CE1 4.17Å; L303-F337 HydrophobicContact CG-CZ 4.04Å
304E89.2Confident90.9Very high107 Ų10765.6 Ų65.650%0.530%0.296SS..Hα-helixtrans-59.6-38.2177.8-69.5178.1146.900112.5F300 K302F300-E304 HydrophobicContact CD1-CG 4.46Å; F300-E304 HydrophobicContact CE1-CG 4.12Å; F300-E304 WeakPolarHBondContact CE1-OE1 3.07Å; F300-E304 HydrophobicContact CZ-CG 4.38Å; F300-E304 PolarHBondContact O-N 2.73Å; K302-E304 VanDerWaalsContact C-N 3.33Å; K302-E304 PolarHBondContact O-N 3.25Å
305R88.4Confident90.8Very high216 Ų21664.7 Ų64.782%0.81529%0.289SS*.Hα-helixtrans-84.6-18.9179.8-63.4177.8-176.2-176.3-0.4113.6R301 K302 L303 S307R301-R305 WeakPolarHBondContact O-CG 3.49Å; R301-R305 PolarHBondContact O-N 3.18Å; K302-R305 PolarHBondContact O-N 2.91Å; L303-R305 VanDerWaalsContact C-N 3.28Å; L303-R305 PolarHBondContact O-N 2.88Å; R305-S307 PolarHBondContact O-N 2.91Å
306C80.4Confident90.7Very high18 Ų1864 Ų6412%0.12229%0.286CS..  trans-72.8108.6-174.2-80.40000111.2K302 L303 D308 R313K302-C306 WeakPolarHBondContact O-CB 3.29Å; K302-C306 PolarHBondContact O-N 2.86Å; K302-C306 PolarHBondContact O-SG 3.47Å; L303-C306 PolarHBondContact O-N 3.33Å; C306-D308 PolarHBondContact O-N 2.67Å; C306-D308 VanDerWaalsContact O-N 3.17Å; C306-R313 VanDerWaalsContact O-CZ 3.23Å; C306-R313 PolarHBondContact O-NE 3.04Å; C306-R313 PolarHBondContact O-NH2 3.32Å
307S81.4Confident90.7Very high112 Ų11264 Ų6478%0.78329%0.286SS*.  trans-78.819.3170.456.90000114.1R305R305-S307 PolarHBondContact O-N 2.91Å
308D84.6Confident90.6Very high22 Ų2261.2 Ų61.212%0.11827%0.273CS..  trans-73.7165.9-174.8-80.2-32.6000114.4K204 Y207 C306 I312 R313K204-D308 WeakPolarHBondContact CD-OD1 3.38Å; K204-D308 WeakPolarHBondContact CE-OD1 3.42Å; K204-D308 IonicContact NZ-OD1 3.79Å; K204-D308 PolarHBondContact NZ-OD1 3.33Å; Y207-D308 PolarHBondContact OH-OD2 3.03Å; C306-D308 PolarHBondContact O-N 2.67Å; C306-D308 VanDerWaalsContact O-N 3.17Å; D308-I312 HydrophobicContact CB-CB 4.33Å; D308-I312 HydrophobicContact CB-CD1 4.33Å; D308-I312 HydrophobicContact CB-CG2 4.39Å; D308-R313 PolarHBondContact O-NE 3.49Å
309R89.9Confident90.5Very high194 Ų19456 Ų5673%0.73225%0.25SS*.  trans-52.8143.7174.1-66.5-175.4-177.9178.3-0.2110.3E311 I312 R313R309-E311 VanDerWaalsContact C-N 3.25Å; R309-E311 PolarHBondContact O-N 3.07Å; R309-I312 WeakPolarHBondContact O-CB 3.32Å; R309-I312 PolarHBondContact O-N 3.48Å; R309-R313 PolarHBondContact O-N 3.48Å
310F90Very high90.6Very high49 Ų4955.9 Ų55.922%0.21525%0.25CC..Hα-helixtrans-56.3-36.6-175.8-170.9-110.4000113.4I312 R313 L314 F341 Q346 R347 L352F310-I312 VanDerWaalsContact C-N 3.27Å; F310-I312 PolarHBondContact O-N 3.49Å; F310-R313 WeakPolarHBondContact O-CA 3.27Å; F310-R313 WeakPolarHBondContact O-CB 2.96Å; F310-R313 PolarHBondContact O-N 3.4Å; F310-L314 HydrophobicContact CD1-CD1 3.78Å; F310-L314 HydrophobicContact CD1-CG 4.03Å; F310-L314 HydrophobicContact CE1-CD1 3.6Å; F310-L314 HydrophobicContact CE1-CD2 3.83Å; F310-L314 HydrophobicContact CE1-CG 3.75Å; F310-L314 HydrophobicContact CZ-CD1 4.42Å; F310-L314 HydrophobicContact CZ-CD2 3.84Å; F310-L314 HydrophobicContact CZ-CG 4.11Å; F310-L314 WeakPolarHBondContact O-CG 3.33Å; F310-L314 PolarHBondContact O-N 2.85Å; F310-F341 HydrophobicContact CE2-CD1 4.01Å; F310-F341 HydrophobicContact CE2-CE1 4.12Å; F310-Q346 HydrophobicContact CZ-CG 4.48Å; F310-R347 WeakPolarHBondContact CE1-O 3.48Å; F310-L352 HydrophobicContact CZ-CD1 4.26Å
311E90.4Very high90.5Very high126 Ų12655.5 Ų55.559%0.58925%0.248SC*.Hα-helixtrans-54.5-40.2174.6-65.3168.6-162.900113.1R309 L314 L315R309-E311 VanDerWaalsContact C-N 3.25Å; R309-E311 PolarHBondContact O-N 3.07Å; E311-L314 PolarHBondContact O-N 3.47Å; E311-L315 PolarHBondContact O-N 2.85Å
312I91.2Very high90.4Very high29 Ų2950.2 Ų50.215%0.14923%0.228CC..Hα-helixtrans-72-38.4179.1-61.8176.2000110.2K204 Y207 V208 D308 R309 F310 L314 L315 I316K204-I312 HydrophobicContact CD-CD1 4.48Å; Y207-I312 HydrophobicContact CE2-CG2 3.74Å; Y207-I312 WeakPolarHBondContact OH-CG2 3.49Å; V208-I312 HydrophobicContact CG2-CG2 4.28Å; D308-I312 HydrophobicContact CB-CB 4.33Å; D308-I312 HydrophobicContact CB-CD1 4.33Å; D308-I312 HydrophobicContact CB-CG2 4.39Å; R309-I312 WeakPolarHBondContact O-CB 3.32Å; R309-I312 PolarHBondContact O-N 3.48Å; F310-I312 VanDerWaalsContact C-N 3.27Å; F310-I312 PolarHBondContact O-N 3.49Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.38Å; I312-L315 WeakPolarHBondContact O-CB 3.48Å; I312-L315 PolarHBondContact O-N 3.29Å; I312-I316 HydrophobicContact CG2-CD1 4.43Å; I312-I316 PolarHBondContact O-N 3.3Å; I312-I316 VanDerWaalsContact O-N 3.15Å
313R91.6Very high90.4Very high69 Ų6948.9 Ų48.926%0.2622%0.222SC..Hα-helixtrans-62.1-39.4174.7-65.2-176.4176.1172.1-1.2111.3L303 C306 D308 R309 F310 L315 I316 L317L303-R313 HydrophobicContact CD1-CB 3.85Å; L303-R313 HydrophobicContact CD1-CG 3.96Å; C306-R313 VanDerWaalsContact O-CZ 3.23Å; C306-R313 PolarHBondContact O-NE 3.04Å; C306-R313 PolarHBondContact O-NH2 3.32Å; D308-R313 PolarHBondContact O-NE 3.49Å; R309-R313 PolarHBondContact O-N 3.48Å; F310-R313 WeakPolarHBondContact O-CA 3.27Å; F310-R313 WeakPolarHBondContact O-CB 2.96Å; F310-R313 PolarHBondContact O-N 3.4Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 3.37Å; R313-I316 PolarHBondContact O-N 3.34Å; R313-L317 WeakPolarHBondContact O-CB 3.47Å; R313-L317 WeakPolarHBondContact O-CG 3.34Å; R313-L317 PolarHBondContact O-N 3.42Å
314L92.7Very high90.5Very high9 Ų948.8 Ų48.85%0.04722%0.222CC..Hα-helixtrans-62.1-38.5174.4-70.7173.8000112.5F310 E311 I312 L317 D318 E348 L352 F355F310-L314 HydrophobicContact CD1-CD1 3.78Å; F310-L314 HydrophobicContact CD1-CG 4.03Å; F310-L314 HydrophobicContact CE1-CD1 3.6Å; F310-L314 HydrophobicContact CE1-CD2 3.83Å; F310-L314 HydrophobicContact CE1-CG 3.75Å; F310-L314 HydrophobicContact CZ-CD1 4.42Å; F310-L314 HydrophobicContact CZ-CD2 3.84Å; F310-L314 HydrophobicContact CZ-CG 4.11Å; F310-L314 WeakPolarHBondContact O-CG 3.33Å; F310-L314 PolarHBondContact O-N 2.85Å; E311-L314 PolarHBondContact O-N 3.47Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.38Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L314-L317 PolarHBondContact O-N 3.25Å; L314-D318 WeakPolarHBondContact O-CB 3.34Å; L314-D318 PolarHBondContact O-N 2.86Å; L314-E348 HydrophobicContact CD1-CB 3.84Å; L314-E348 HydrophobicContact CD1-CG 4.4Å; L314-E348 WeakPolarHBondContact CD1-OE2 3.15Å; L314-L352 HydrophobicContact CD2-CD2 3.66Å; L314-L352 HydrophobicContact CD2-CG 4.09Å; L314-F355 HydrophobicContact CD2-CE2 3.97Å
315L92.3Very high90.5Very high30 Ų3044.7 Ų44.716%0.15721%0.208CC..Hα-helixtrans-63.5-40.4174.4-66.6174.4000112.2V208 I211 Q212 L215 K217 E311 I312 R313 L319V208-L315 HydrophobicContact CG1-CD1 4.31Å; I211-L315 HydrophobicContact CG2-CB 3.99Å; I211-L315 WeakPolarHBondContact CG2-O 3.27Å; Q212-L315 HydrophobicContact CG-CD1 4.29Å; L215-L315 HydrophobicContact CD1-CB 4.32Å; L215-L315 HydrophobicContact CD1-CD2 3.82Å; K217-L315 HydrophobicContact CD-CD2 4.23Å; E311-L315 PolarHBondContact O-N 2.85Å; I312-L315 WeakPolarHBondContact O-CB 3.48Å; I312-L315 PolarHBondContact O-N 3.29Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 PolarHBondContact O-N 3.37Å; L315-L319 PolarHBondContact O-N 3.41Å
316I93.9Very high90.5Very high1 Ų135.6 Ų35.61%0.00518%0.176CC..Hα-helixtrans-66.7-43.7176.5-64163.6000110.3I211 L303 I312 R313 D318 L319 I320I211-I316 HydrophobicContact CD1-CG1 3.59Å; L303-I316 HydrophobicContact CB-CG2 4.06Å; L303-I316 HydrophobicContact CD1-CB 4.15Å; L303-I316 HydrophobicContact CD1-CD1 4.28Å; L303-I316 HydrophobicContact CD1-CG2 4.11Å; L303-I316 HydrophobicContact CD2-CG2 4.42Å; L303-I316 HydrophobicContact CG-CG2 4.43Å; I312-I316 HydrophobicContact CG2-CD1 4.43Å; I312-I316 PolarHBondContact O-N 3.3Å; I312-I316 VanDerWaalsContact O-N 3.15Å; R313-I316 PolarHBondContact O-N 3.34Å; I316-D318 PolarHBondContact O-N 3.16Å; I316-L319 PolarHBondContact O-N 3.08Å; I316-I320 HydrophobicContact CG2-CD1 3.76Å; I316-I320 HydrophobicContact CG2-CG1 4.4Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 2.73Å
317L94.3Very high90.8Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..Hα-helixtrans-60.8-42.9177-75.9169.8000112.6L303 R313 L314 L319 I320 S321 F334 F337 I338 L352 F355L303-L317 HydrophobicContact CD2-CD2 3.44Å; L303-L317 VanDerWaalsContact CD2-CD2 3.44Å; L303-L317 HydrophobicContact CD2-CG 3.8Å; R313-L317 WeakPolarHBondContact O-CB 3.47Å; R313-L317 WeakPolarHBondContact O-CG 3.34Å; R313-L317 PolarHBondContact O-N 3.42Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L314-L317 PolarHBondContact O-N 3.25Å; L317-L319 VanDerWaalsContact C-N 3.3Å; L317-L319 PolarHBondContact O-N 2.91Å; L317-I320 PolarHBondContact O-N 2.91Å; L317-S321 PolarHBondContact O-N 3.36Å; L317-S321 PolarHBondContact O-OG 3.25Å; L317-F334 HydrophobicContact CD2-CD2 4.36Å; L317-F334 HydrophobicContact CD2-CE2 3.63Å; L317-F334 HydrophobicContact CD2-CZ 4.39Å; L317-F337 HydrophobicContact CD1-CE1 4.43Å; L317-F337 HydrophobicContact CD2-CD1 4.15Å; L317-F337 HydrophobicContact CD2-CE1 4.07Å; L317-I338 HydrophobicContact CD2-CG1 4.48Å; L317-L352 HydrophobicContact CD1-CD2 3.91Å; L317-F355 HydrophobicContact CB-CD2 3.85Å; L317-F355 HydrophobicContact CB-CE2 4.06Å
318D93.1Very high91.2Very high2 Ų237.6 Ų37.61%0.01117%0.171CC..Hα-helixtrans-60-39.6175.5-169.14.4000111.2L215 K217 L314 I316 S321 R322 F355L215-D318 HydrophobicContact CD1-CB 3.97Å; L215-D318 HydrophobicContact CD2-CB 3.87Å; L215-D318 VanDerWaalsContact CD2-CG 3.43Å; K217-D318 IonicContact NZ-OD2 3.13Å; K217-D318 PolarHBondContact NZ-OD2 3.38Å; L314-D318 WeakPolarHBondContact O-CB 3.34Å; L314-D318 PolarHBondContact O-N 2.86Å; I316-D318 PolarHBondContact O-N 3.16Å; D318-S321 PolarHBondContact O-OG 3.03Å; D318-R322 VanDerWaalsContact O-CG 3.24Å; D318-R322 WeakPolarHBondContact O-CG 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å; D318-R322 IonicContact OD1-CZ 3.61Å; D318-R322 IonicContact OD1-NE 2.83Å; D318-R322 PolarHBondContact OD1-NE 3.22Å; D318-R322 IonicContact OD1-NH2 3.04Å; D318-R322 PolarHBondContact OD1-NH2 3.3Å; D318-R322 VanDerWaalsContact OD1-NH2 3.11Å; D318-R322 IonicContact OD2-NH2 3.28Å; D318-R322 PolarHBondContact OD2-NH2 3.05Å; D318-F355 HydrophobicContact CB-CD1 4.24Å; D318-F355 HydrophobicContact CB-CE1 3.47Å; D318-F355 VanDerWaalsContact CB-CE1 3.47Å; D318-F355 HydrophobicContact CB-CE2 4.33Å; D318-F355 HydrophobicContact CB-CZ 3.53Å
319L93.3Very high91.6Very high0 Ų037 Ų370%017%0.168CC..Hα-helixtrans-69.1-44.1177.6-178.559.8000111.3I211 F214 L215 L286 L299 L315 I316 L317 R322 L323I211-L319 HydrophobicContact CB-CD2 4.48Å; I211-L319 HydrophobicContact CG1-CD2 4.05Å; I211-L319 HydrophobicContact CG2-CB 4.24Å; I211-L319 HydrophobicContact CG2-CD2 4.23Å; F214-L319 HydrophobicContact CB-CD1 3.52Å; F214-L319 HydrophobicContact CD2-CD1 4.41Å; F214-L319 HydrophobicContact CD2-CD2 4.41Å; F214-L319 HydrophobicContact CG-CD1 4.09Å; L215-L319 HydrophobicContact CD2-CB 4.27Å; L286-L319 HydrophobicContact CD2-CD1 3.96Å; L299-L319 HydrophobicContact CD1-CD2 3.84Å; L299-L319 HydrophobicContact CD1-CG 4.27Å; L315-L319 PolarHBondContact O-N 3.41Å; I316-L319 PolarHBondContact O-N 3.08Å; L317-L319 VanDerWaalsContact C-N 3.3Å; L317-L319 PolarHBondContact O-N 2.91Å; L319-R322 PolarHBondContact O-N 3.45Å; L319-L323 HydrophobicContact CD1-CD1 4.49Å; L319-L323 HydrophobicContact CD1-CG 4.48Å; L319-L323 HydrophobicContact CG-CD1 4.19Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 2.98Å
320I94.6Very high91.7Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-63-45.5178.3-65.9168.2000110.4L299 F300 L303 I316 L317 R322 L323 I324 L331 F334L299-I320 HydrophobicContact CB-CD1 4.08Å; L299-I320 HydrophobicContact CB-CG1 4.05Å; L299-I320 HydrophobicContact CD1-CG1 4.41Å; F300-I320 HydrophobicContact CB-CD1 4.28Å; F300-I320 HydrophobicContact CD2-CD1 4.45Å; L303-I320 HydrophobicContact CD2-CD1 4.32Å; I316-I320 HydrophobicContact CG2-CD1 3.76Å; I316-I320 HydrophobicContact CG2-CG1 4.4Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 2.73Å; L317-I320 PolarHBondContact O-N 2.91Å; I320-R322 VanDerWaalsContact C-N 3.31Å; I320-R322 PolarHBondContact O-N 3.45Å; I320-L323 PolarHBondContact O-N 3.29Å; I320-I324 HydrophobicContact CG2-CD1 3.65Å; I320-I324 HydrophobicContact CG2-CG1 4.26Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.28Å; I320-I324 PolarHBondContact O-N 3.13Å; I320-L331 HydrophobicContact CG2-CD2 4.02Å; I320-F334 HydrophobicContact CB-CE2 4.01Å; I320-F334 HydrophobicContact CG2-CD2 3.64Å; I320-F334 HydrophobicContact CG2-CE2 3.51Å; I320-F334 HydrophobicContact CG2-CG 4.46Å; I320-F334 HydrophobicContact CG2-CZ 4.24Å
321S93.5Very high91.8Very high0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-61.2-39.5179.763.50000112.4L317 D318 G325 F355 Q358L317-S321 PolarHBondContact O-N 3.36Å; L317-S321 PolarHBondContact O-OG 3.25Å; D318-S321 PolarHBondContact O-OG 3.03Å; S321-G325 PolarHBondContact O-N 3.37Å; S321-F355 WeakPolarHBondContact CB-O 3.42Å; S321-Q358 PolarHBondContact OG-OE1 2.93Å; S321-Q358 VanDerWaalsContact OG-OE1 3.13Å
322R90.6Very high91.9Very high40 Ų4026.8 Ų26.815%0.15114%0.135CC..Hα-helixtrans-66.6-44.3174.6-68.5178.4-165-149.84.9112.1L215 D318 L319 I320 I324 G325 L326 L668L215-R322 PolarHBondContact O-NH1 2.93Å; D318-R322 VanDerWaalsContact O-CG 3.24Å; D318-R322 WeakPolarHBondContact O-CG 3.43Å; D318-R322 PolarHBondContact O-N 3.23Å; D318-R322 IonicContact OD1-CZ 3.61Å; D318-R322 IonicContact OD1-NE 2.83Å; D318-R322 PolarHBondContact OD1-NE 3.22Å; D318-R322 IonicContact OD1-NH2 3.04Å; D318-R322 PolarHBondContact OD1-NH2 3.3Å; D318-R322 VanDerWaalsContact OD1-NH2 3.11Å; D318-R322 IonicContact OD2-NH2 3.28Å; D318-R322 PolarHBondContact OD2-NH2 3.05Å; L319-R322 PolarHBondContact O-N 3.45Å; I320-R322 VanDerWaalsContact C-N 3.31Å; I320-R322 PolarHBondContact O-N 3.45Å; R322-I324 VanDerWaalsContact C-N 3.31Å; R322-I324 PolarHBondContact O-N 3.11Å; R322-G325 PolarHBondContact O-N 3.21Å; R322-L326 WeakPolarHBondContact O-CB 3.2Å; R322-L326 WeakPolarHBondContact O-CG 3.37Å; R322-L326 PolarHBondContact O-N 3.36Å; R322-L668 HydrophobicContact CB-CD2 4.46Å; R322-L668 HydrophobicContact CG-CD2 3.81Å
323L92.1Very high92Very high0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-59.6-44177.5-74.5170000111.6L286 L289 F295 A296 L299 L319 I320 N327 L329L286-L323 HydrophobicContact CD2-CD2 3.74Å; L286-L323 HydrophobicContact CD2-CG 4.38Å; L289-L323 HydrophobicContact CD1-CD2 3.85Å; F295-L323 HydrophobicContact CD1-CD1 3.61Å; F295-L323 HydrophobicContact CD1-CD2 4.49Å; F295-L323 HydrophobicContact CE1-CD1 3.74Å; A296-L323 HydrophobicContact CB-CD1 4.4Å; L299-L323 HydrophobicContact CD1-CD1 4.07Å; L319-L323 HydrophobicContact CD1-CD1 4.49Å; L319-L323 HydrophobicContact CD1-CG 4.48Å; L319-L323 HydrophobicContact CG-CD1 4.19Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 2.98Å; I320-L323 PolarHBondContact O-N 3.29Å; L323-N327 PolarHBondContact O-N 3.4Å; L323-N327 VanDerWaalsContact O-N 3.12Å; L323-L329 HydrophobicContact CB-CD1 3.98Å; L323-L329 WeakPolarHBondContact O-CD1 3.4Å
324I93.4Very high92.2Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-61.1-52.8176.7-66.6167.1000110.6I320 R322 L326 K328 L329 L331 F334 A359I320-I324 HydrophobicContact CG2-CD1 3.65Å; I320-I324 HydrophobicContact CG2-CG1 4.26Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.28Å; I320-I324 PolarHBondContact O-N 3.13Å; R322-I324 VanDerWaalsContact C-N 3.31Å; R322-I324 PolarHBondContact O-N 3.11Å; I324-L326 PolarHBondContact O-N 3.19Å; I324-K328 WeakPolarHBondContact O-CA 3.38Å; I324-K328 PolarHBondContact O-N 3.41Å; I324-L329 HydrophobicContact CG1-CB 4.25Å; I324-L329 WeakPolarHBondContact CG2-O 3.05Å; I324-L329 PolarHBondContact O-N 3.36Å; I324-L329 VanDerWaalsContact O-N 3.15Å; I324-L331 HydrophobicContact CD1-CB 4.2Å; I324-L331 HydrophobicContact CD1-CD2 4.29Å; I324-L331 HydrophobicContact CG1-CB 4.5Å; I324-F334 HydrophobicContact CD1-CB 4.33Å; I324-F334 HydrophobicContact CD1-CD1 3.81Å; I324-F334 HydrophobicContact CD1-CD2 4.31Å; I324-F334 HydrophobicContact CD1-CE1 4.08Å; I324-F334 HydrophobicContact CD1-CG 3.91Å; I324-F334 HydrophobicContact CD1-CZ 4.42Å; I324-A359 HydrophobicContact CB-CB 4.21Å; I324-A359 HydrophobicContact CD1-CB 4.14Å; I324-A359 HydrophobicContact CG2-CB 3.95Å; I324-A359 WeakPolarHBondContact CG2-O 3.43Å
325G89Confident92.3Very high20 Ų2026.8 Ų26.821%0.20614%0.141CC..Hα-helixtrans-65.5-34.3-176.500000114.1S321 R322 Q358S321-G325 PolarHBondContact O-N 3.37Å; R322-G325 PolarHBondContact O-N 3.21Å; G325-Q358 VanDerWaalsContact CA-O 3.27Å; G325-Q358 WeakPolarHBondContact CA-O 3.36Å
326L87.9Confident92.3Very high26 Ų2628.1 Ų28.114%0.13615%0.151CC..Hα-helixtrans-78-46-178.3-68.2-174.2000113F283 L286 R322 I324 N667F283-L326 HydrophobicContact CD2-CD1 3.72Å; F283-L326 HydrophobicContact CD2-CD2 4.22Å; F283-L326 HydrophobicContact CE2-CD1 3.7Å; F283-L326 HydrophobicContact CE2-CD2 3.57Å; F283-L326 HydrophobicContact CE2-CG 4.2Å; L286-L326 HydrophobicContact CB-CD1 4.17Å; L286-L326 HydrophobicContact CD1-CD1 3.7Å; R322-L326 WeakPolarHBondContact O-CB 3.2Å; R322-L326 WeakPolarHBondContact O-CG 3.37Å; R322-L326 PolarHBondContact O-N 3.36Å; I324-L326 PolarHBondContact O-N 3.19Å; L326-N667 HydrophobicContact CD2-CB 4.04Å
327N88.3Confident92.3Very high55 Ų5529.5 Ų29.529%0.29416%0.157SC..Hα-helixtrans-97.94-174.9-61.2-46.7000113P292 L323 L329P292-N327 HydrophobicContact CB-CB 4.4Å; P292-N327 WeakPolarHBondContact CB-ND2 3.35Å; P292-N327 HydrophobicContact CG-CB 4.08Å; L323-N327 PolarHBondContact O-N 3.4Å; L323-N327 VanDerWaalsContact O-N 3.12Å; N327-L329 HydrophobicContact CB-CD1 4.48Å; N327-L329 HydrophobicContact CB-CD2 3.54Å; N327-L329 HydrophobicContact CB-CG 3.82Å; N327-L329 PolarHBondContact O-N 3.22Å
328K89Confident92.3Very high117 Ų11729.5 Ų29.551%0.50916%0.157SC..THydrogen-bonded Turntrans51.350.1-174.4-58.6-177.3179.6-177.30112.4I324I324-K328 WeakPolarHBondContact O-CA 3.38Å; I324-K328 PolarHBondContact O-N 3.41Å
329L92.5Very high92.3Very high10 Ų1031.4 Ų31.45%0.05217%0.166CC..  trans-77.6136.2-174.3-54.3178.4000112.2P292 Q293 A296 L323 I324 N327 L331 H361P292-L329 HydrophobicContact CB-CD1 4.35Å; P292-L329 HydrophobicContact CB-CD2 4.33Å; P292-L329 HydrophobicContact CG-CD2 4.17Å; Q293-L329 HydrophobicContact CB-CD2 4.12Å; A296-L329 HydrophobicContact CB-CD1 3.76Å; L323-L329 HydrophobicContact CB-CD1 3.98Å; L323-L329 WeakPolarHBondContact O-CD1 3.4Å; I324-L329 HydrophobicContact CG1-CB 4.25Å; I324-L329 WeakPolarHBondContact CG2-O 3.05Å; I324-L329 PolarHBondContact O-N 3.36Å; I324-L329 VanDerWaalsContact O-N 3.15Å; N327-L329 HydrophobicContact CB-CD1 4.48Å; N327-L329 HydrophobicContact CB-CD2 3.54Å; N327-L329 HydrophobicContact CB-CG 3.82Å; N327-L329 PolarHBondContact O-N 3.22Å; L329-L331 PolarHBondContact O-N 3.13Å; L329-H361 PolarHBondContact O-NE2 3.05Å
330V91.8Very high92.2Very high70 Ų7040.2 Ų40.242%0.42420%0.199SC..  trans-89.797.3176.5-175.50000109.4Q293 L332Q293-V330 PolarHBondContact NE2-O 2.81Å; V330-L332 HydrophobicContact CG1-CD2 3.87Å; V330-L332 HydrophobicContact CG1-CG 4.04Å
331L92.9Very high92.1Very high14 Ų1442.1 Ų42.17%0.07321%0.208CC..  trans-125.780.7174.3-172.867.8000110.8E297 F300 I320 I324 L329 N333 F334E297-L331 HydrophobicContact CG-CD1 3.84Å; F300-L331 HydrophobicContact CB-CD2 3.98Å; F300-L331 HydrophobicContact CD2-CD2 4.27Å; F300-L331 HydrophobicContact CG-CD2 4.1Å; I320-L331 HydrophobicContact CG2-CD2 4.02Å; I324-L331 HydrophobicContact CD1-CB 4.2Å; I324-L331 HydrophobicContact CD1-CD2 4.29Å; I324-L331 HydrophobicContact CG1-CB 4.5Å; L329-L331 PolarHBondContact O-N 3.13Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.18Å; L331-F334 HydrophobicContact CD2-CB 4.08Å; L331-F334 HydrophobicContact CG-CB 4.12Å; L331-F334 VanDerWaalsContact O-CB 3.23Å; L331-F334 WeakPolarHBondContact O-CB 3.24Å; L331-F334 PolarHBondContact O-N 3.17Å
332L92.4Very high92.1Very high69 Ų6942.1 Ų42.136%0.36121%0.208SC..THydrogen-bonded Turntrans-65.3-32.5-170.2-55.6-178.6000113.8V330 F334 Y335 P336 P365 V368V330-L332 HydrophobicContact CG1-CD2 3.87Å; V330-L332 HydrophobicContact CG1-CG 4.04Å; L332-F334 PolarHBondContact O-N 2.9Å; L332-F334 VanDerWaalsContact O-N 3.16Å; L332-Y335 PolarHBondContact O-N 2.88Å; L332-P336 WeakPolarHBondContact O-CD 3.48Å; L332-P365 HydrophobicContact CD2-CG 4.25Å; L332-V368 HydrophobicContact CD2-CG2 4.33Å
333N93.8Very high92.1Very high107 Ų10747.7 Ų47.757%0.57223%0.229SC*.THydrogen-bonded Turntrans-67.1-16.3-179.6-65.3-16.4000113.6F300 L331 F337F300-N333 HydrophobicContact CE1-CB 3.68Å; F300-N333 HydrophobicContact CZ-CB 3.98Å; F300-N333 WeakPolarHBondContact CZ-O 3.41Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.18Å; N333-F337 WeakPolarHBondContact O-CB 3.21Å; N333-F337 PolarHBondContact O-N 3.16Å
334F94.7Very high92Very high0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-64.8-39.6178.5-179.3-106.5000112.6F300 L317 I320 I324 L331 L332 F337 I338 A359F300-F334 HydrophobicContact CD2-CD2 4.28Å; F300-F334 HydrophobicContact CE2-CB 4.44Å; F300-F334 HydrophobicContact CE2-CD2 4.3Å; L317-F334 HydrophobicContact CD2-CD2 4.36Å; L317-F334 HydrophobicContact CD2-CE2 3.63Å; L317-F334 HydrophobicContact CD2-CZ 4.39Å; I320-F334 HydrophobicContact CB-CE2 4.01Å; I320-F334 HydrophobicContact CG2-CD2 3.64Å; I320-F334 HydrophobicContact CG2-CE2 3.51Å; I320-F334 HydrophobicContact CG2-CG 4.46Å; I320-F334 HydrophobicContact CG2-CZ 4.24Å; I324-F334 HydrophobicContact CD1-CB 4.33Å; I324-F334 HydrophobicContact CD1-CD1 3.81Å; I324-F334 HydrophobicContact CD1-CD2 4.31Å; I324-F334 HydrophobicContact CD1-CE1 4.08Å; I324-F334 HydrophobicContact CD1-CG 3.91Å; I324-F334 HydrophobicContact CD1-CZ 4.42Å; L331-F334 HydrophobicContact CD2-CB 4.08Å; L331-F334 HydrophobicContact CG-CB 4.12Å; L331-F334 VanDerWaalsContact O-CB 3.23Å; L331-F334 WeakPolarHBondContact O-CB 3.24Å; L331-F334 PolarHBondContact O-N 3.17Å; L332-F334 PolarHBondContact O-N 2.9Å; L332-F334 VanDerWaalsContact O-N 3.16Å; F334-F337 WeakPolarHBondContact O-CB 3.44Å; F334-F337 PolarHBondContact O-N 3.22Å; F334-I338 HydrophobicContact CD1-CD1 3.81Å; F334-I338 HydrophobicContact CD2-CD1 4.43Å; F334-I338 HydrophobicContact CE1-CD1 3.19Å; F334-I338 HydrophobicContact CE1-CG1 4.36Å; F334-I338 HydrophobicContact CE2-CD1 3.92Å; F334-I338 HydrophobicContact CG-CD1 4.4Å; F334-I338 HydrophobicContact CZ-CD1 3.28Å; F334-I338 HydrophobicContact CZ-CG1 4.31Å; F334-I338 PolarHBondContact O-N 3.09Å; F334-A359 HydrophobicContact CD1-CB 3.95Å; F334-A359 HydrophobicContact CE1-CB 3.41Å; F334-A359 VanDerWaalsContact CE1-CB 3.41Å; F334-A359 HydrophobicContact CZ-CB 4.34Å
335Y94.2Very high91.8Very high1 Ų158 Ų580%0.00428%0.281CS..Hα-helixtrans-70.9-48.3-175.1-52-83.3000112.7L332 F337 I338 Q339 A359 V364 V368 M369 L372L332-Y335 PolarHBondContact O-N 2.88Å; Y335-F337 PolarHBondContact O-N 3.4Å; Y335-I338 PolarHBondContact O-N 3.28Å; Y335-I338 VanDerWaalsContact O-N 3.15Å; Y335-Q339 VanDerWaalsContact O-CG 3.31Å; Y335-Q339 WeakPolarHBondContact O-CG 2.87Å; Y335-Q339 PolarHBondContact O-N 3.14Å; Y335-A359 HydrophobicContact CE1-CB 4.14Å; Y335-A359 PolarHBondContact OH-O 3.47Å; Y335-V364 HydrophobicContact CD2-CG1 4.47Å; Y335-V364 HydrophobicContact CE2-CG1 3.74Å; Y335-V364 HydrophobicContact CE2-CG2 4.4Å; Y335-V364 WeakPolarHBondContact OH-CG2 3.32Å; Y335-V368 HydrophobicContact CD2-CG1 3.44Å; Y335-V368 VanDerWaalsContact CD2-CG1 3.44Å; Y335-V368 HydrophobicContact CE2-CG1 4.37Å; Y335-V368 HydrophobicContact CG-CG1 3.71Å; Y335-M369 HydrophobicContact CD1-SD 3.95Å; Y335-M369 HydrophobicContact CE1-SD 3.76Å; Y335-L372 HydrophobicContact CD1-CD2 3.95Å
336P93.8Very high91.8Very high58 Ų5860.2 Ų60.238%0.37729%0.286SS..Hα-helixtrans-59.3-32172.2-24.435.2000113.1L332L332-P336 WeakPolarHBondContact O-CD 3.48Å
337F93.6Very high91.8Very high30 Ų3068.7 Ų68.713%0.13232%0.317CS..Hα-helixtrans-65.3-44.7175.6-175.5-92.5000111.8F300 L303 L317 N333 F334 Y335 F341F300-F337 HydrophobicContact CE2-CB 3.95Å; F300-F337 HydrophobicContact CE2-CD1 4.37Å; F300-F337 HydrophobicContact CE2-CG 4.03Å; F300-F337 HydrophobicContact CZ-CB 3.93Å; F300-F337 HydrophobicContact CZ-CD2 4.41Å; F300-F337 HydrophobicContact CZ-CG 4.22Å; L303-F337 HydrophobicContact CD2-CD1 4.28Å; L303-F337 HydrophobicContact CD2-CE1 3.64Å; L303-F337 HydrophobicContact CD2-CZ 4.01Å; L303-F337 HydrophobicContact CG-CE1 4.17Å; L303-F337 HydrophobicContact CG-CZ 4.04Å; L317-F337 HydrophobicContact CD1-CE1 4.43Å; L317-F337 HydrophobicContact CD2-CD1 4.15Å; L317-F337 HydrophobicContact CD2-CE1 4.07Å; N333-F337 WeakPolarHBondContact O-CB 3.21Å; N333-F337 PolarHBondContact O-N 3.16Å; F334-F337 WeakPolarHBondContact O-CB 3.44Å; F334-F337 PolarHBondContact O-N 3.22Å; Y335-F337 PolarHBondContact O-N 3.4Å; F337-F341 HydrophobicContact CD1-CE2 4Å; F337-F341 HydrophobicContact CE1-CD2 4.37Å; F337-F341 AromaticContact CE1-CE2 3.56Å; F337-F341 HydrophobicContact CE1-CE2 3.56Å; F337-F341 HydrophobicContact CE1-CZ 4.37Å; F337-F341 HydrophobicContact CE2-CE2 4.32Å; F337-F341 AromaticContact CZ-CE2 3.74Å; F337-F341 HydrophobicContact CZ-CE2 3.74Å; F337-F341 HydrophobicContact CZ-CZ 4.17Å; F337-F341 VanDerWaalsContact O-CD2 3.26Å; F337-F341 WeakPolarHBondContact O-CD2 3.45Å; F337-F341 WeakPolarHBondContact O-CE2 3.03Å
338I93.6Very high91.8Very high0 Ų070.7 Ų70.70%032%0.324CS..Hα-helixtrans-66.9-40.8177.1-69.8174.5000111.7L317 F334 Y335 R340 F341 L342 F355 S356L317-I338 HydrophobicContact CD2-CG1 4.48Å; F334-I338 HydrophobicContact CD1-CD1 3.81Å; F334-I338 HydrophobicContact CD2-CD1 4.43Å; F334-I338 HydrophobicContact CE1-CD1 3.19Å; F334-I338 HydrophobicContact CE1-CG1 4.36Å; F334-I338 HydrophobicContact CE2-CD1 3.92Å; F334-I338 HydrophobicContact CG-CD1 4.4Å; F334-I338 HydrophobicContact CZ-CD1 3.28Å; F334-I338 HydrophobicContact CZ-CG1 4.31Å; F334-I338 PolarHBondContact O-N 3.09Å; Y335-I338 PolarHBondContact O-N 3.28Å; Y335-I338 VanDerWaalsContact O-N 3.15Å; I338-R340 PolarHBondContact O-N 3.38Å; I338-F341 PolarHBondContact O-N 3.07Å; I338-L342 HydrophobicContact CG2-CD1 4.09Å; I338-L342 HydrophobicContact CG2-CD2 3.84Å; I338-L342 HydrophobicContact CG2-CG 3.84Å; I338-L342 PolarHBondContact O-N 3.22Å; I338-F355 HydrophobicContact CD1-CB 4.43Å; I338-S356 WeakPolarHBondContact CG2-OG 3.4Å
339Q93.5Very high92Very high42 Ų4265.6 Ų65.620%0.19630%0.303CS..Hα-helixtrans-49.2-37.5-179.2-75167.710.700112.7Y335 F341 L342 L372 V375Y335-Q339 VanDerWaalsContact O-CG 3.31Å; Y335-Q339 WeakPolarHBondContact O-CG 2.87Å; Y335-Q339 PolarHBondContact O-N 3.14Å; Q339-F341 PolarHBondContact O-N 2.93Å; Q339-L342 PolarHBondContact O-N 2.78Å; Q339-L372 HydrophobicContact CG-CD1 3.63Å; Q339-V375 HydrophobicContact CG-CG2 4.43Å
340R91.9Very high92Very high185 Ų18567.4 Ų67.470%0.69831%0.314SS*.THydrogen-bonded Turntrans-59-29.3177.8-64.3178.2-179.2-174.80113.8I338I338-R340 PolarHBondContact O-N 3.38Å
341F91.8Very high92Very high41 Ų4166.7 Ų66.718%0.1831%0.306CS..THydrogen-bonded Turntrans-99.9-4.5-176.8-56.7-74.7000113.6F310 F337 I338 Q339 R343 L352F310-F341 HydrophobicContact CE2-CD1 4.01Å; F310-F341 HydrophobicContact CE2-CE1 4.12Å; F337-F341 HydrophobicContact CD1-CE2 4Å; F337-F341 HydrophobicContact CE1-CD2 4.37Å; F337-F341 AromaticContact CE1-CE2 3.56Å; F337-F341 HydrophobicContact CE1-CE2 3.56Å; F337-F341 HydrophobicContact CE1-CZ 4.37Å; F337-F341 HydrophobicContact CE2-CE2 4.32Å; F337-F341 AromaticContact CZ-CE2 3.74Å; F337-F341 HydrophobicContact CZ-CE2 3.74Å; F337-F341 HydrophobicContact CZ-CZ 4.17Å; F337-F341 VanDerWaalsContact O-CD2 3.26Å; F337-F341 WeakPolarHBondContact O-CD2 3.45Å; F337-F341 WeakPolarHBondContact O-CE2 3.03Å; I338-F341 PolarHBondContact O-N 3.07Å; Q339-F341 PolarHBondContact O-N 2.93Å; F341-R343 PolarHBondContact O-N 3.09Å; F341-L352 HydrophobicContact CB-CD1 3.46Å; F341-L352 VanDerWaalsContact CB-CD1 3.46Å; F341-L352 HydrophobicContact CG-CD1 4.5Å
342L93Very high92.1Very high0 Ų066 Ų660%030%0.303CS..  trans-80.162.2-178.6-66.4-177.2000112.4I338 Q339 L352 L353 L372 V375 I376 N379 F380I338-L342 HydrophobicContact CG2-CD1 4.09Å; I338-L342 HydrophobicContact CG2-CD2 3.84Å; I338-L342 HydrophobicContact CG2-CG 3.84Å; I338-L342 PolarHBondContact O-N 3.22Å; Q339-L342 PolarHBondContact O-N 2.78Å; L342-L352 HydrophobicContact CD2-CB 4.07Å; L342-L353 HydrophobicContact CD2-CD2 3.81Å; L342-L353 HydrophobicContact CD2-CG 4.22Å; L342-L372 HydrophobicContact CD1-CD1 3.62Å; L342-V375 HydrophobicContact CB-CG1 4.07Å; L342-V375 HydrophobicContact CD1-CG1 4.43Å; L342-I376 HydrophobicContact CD1-CD1 4.32Å; L342-I376 HydrophobicContact CD1-CG1 3.86Å; L342-N379 PolarHBondContact O-ND2 3.19Å; L342-F380 HydrophobicContact CB-CE2 4.47Å
343R90.8Very high92.1Very high156 Ų15662.8 Ų62.859%0.58929%0.286SS*.  trans-120.6137.3172-56.7-174.5-158.9-172.71.8110.1F341 Q345 Q346 V349F341-R343 PolarHBondContact O-N 3.09Å; R343-Q345 PolarHBondContact O-N 3.31Å; R343-Q345 VanDerWaalsContact O-N 3.07Å; R343-Q346 WeakPolarHBondContact O-CB 3.38Å; R343-Q346 PolarHBondContact O-N 3.09Å; R343-V349 WeakPolarHBondContact O-CG2 3.44Å
344P89.3Confident92.1Very high51 Ų5158.1 Ų58.133%0.33126%0.261SS..THydrogen-bonded Turntrans-56.6-29-176.5-26.532000115.2Q346 N379 F380P344-Q346 VanDerWaalsContact C-N 3.27Å; P344-Q346 PolarHBondContact O-N 2.77Å; P344-N379 VanDerWaalsContact CG-O 3.25Å; P344-N379 WeakPolarHBondContact CG-O 3.49Å; P344-F380 HydrophobicContact CB-CD1 4.5Å; P344-F380 HydrophobicContact CB-CE1 4.11Å; P344-F380 HydrophobicContact CG-CD1 3.97Å; P344-F380 HydrophobicContact CG-CE1 3.85Å; P344-F380 HydrophobicContact CG-CE2 4.43Å; P344-F380 HydrophobicContact CG-CG 4.3Å; P344-F380 HydrophobicContact CG-CZ 4.07Å
345Q89.2Confident92.1Very high165 Ų16558.3 Ų58.377%0.77126%0.261SS*.THydrogen-bonded Turntrans-76-14.4180-55.885.91.400113.5R343R343-Q345 PolarHBondContact O-N 3.31Å; R343-Q345 VanDerWaalsContact O-N 3.07Å
346Q89.9Confident92Very high67 Ų6758.2 Ų58.231%0.31326%0.261SS..SBendtrans-70.6145.9-177.3174.766.6-6.200110.8F310 R343 P344 V349 L352F310-Q346 HydrophobicContact CZ-CG 4.48Å; R343-Q346 WeakPolarHBondContact O-CB 3.38Å; R343-Q346 PolarHBondContact O-N 3.09Å; P344-Q346 VanDerWaalsContact C-N 3.27Å; P344-Q346 PolarHBondContact O-N 2.77Å; Q346-V349 HydrophobicContact CB-CG2 3.4Å; Q346-V349 VanDerWaalsContact CB-CG2 3.4Å; Q346-V349 HydrophobicContact CG-CG2 3.92Å; Q346-V349 WeakPolarHBondContact O-CG2 3.45Å; Q346-L352 HydrophobicContact CG-CD1 4.37Å
347R88.1Confident92Very high205 Ų20555.5 Ų55.577%0.77424%0.243SC*.THydrogen-bonded Turntrans-66.9139178.2-63.4-176.8-176.6178.41.1110.2F310 V349F310-R347 WeakPolarHBondContact CE1-O 3.48Å; R347-V349 PolarHBondContact O-N 3.17Å; R347-V349 VanDerWaalsContact O-N 3.14Å
348E87.9Confident91.9Very high96 Ų9654.6 Ų54.645%0.44924%0.24SC..THydrogen-bonded Turntrans56.429.3174.4-68.1-172.9-160.600114.4L314 T350 H351 L352L314-E348 HydrophobicContact CD1-CB 3.84Å; L314-E348 HydrophobicContact CD1-CG 4.4Å; L314-E348 WeakPolarHBondContact CD1-OE2 3.15Å; E348-T350 PolarHBondContact O-N 3.21Å; E348-T350 VanDerWaalsContact O-N 3.14Å; E348-H351 WeakPolarHBondContact O-CB 3.4Å; E348-H351 PolarHBondContact O-N 3.41Å; E348-H351 IonicContact OE2-CD2 3.88Å; E348-H351 PolarHBondContact OE2-CD2 2.99Å; E348-L352 PolarHBondContact O-N 2.89Å
349V92.4Very high91.8Very high11 Ų1154.6 Ų54.67%0.06724%0.24CC..Hα-helixtrans-52.9-34.8175.9157.50000113.7R343 Q346 R347 H351 L352 L353 F380R343-V349 WeakPolarHBondContact O-CG2 3.44Å; Q346-V349 HydrophobicContact CB-CG2 3.4Å; Q346-V349 VanDerWaalsContact CB-CG2 3.4Å; Q346-V349 HydrophobicContact CG-CG2 3.92Å; Q346-V349 WeakPolarHBondContact O-CG2 3.45Å; R347-V349 PolarHBondContact O-N 3.17Å; R347-V349 VanDerWaalsContact O-N 3.14Å; V349-H351 PolarHBondContact O-N 3.19Å; V349-L352 WeakPolarHBondContact O-CB 3.48Å; V349-L352 PolarHBondContact O-N 3.01Å; V349-L353 HydrophobicContact CG1-CD1 4.04Å; V349-L353 HydrophobicContact CG1-CG 4.38Å; V349-L353 PolarHBondContact O-N 3.41Å; V349-F380 HydrophobicContact CG1-CE1 3.49Å; V349-F380 VanDerWaalsContact CG1-CE1 3.49Å; V349-F380 HydrophobicContact CG1-CE2 4.5Å; V349-F380 HydrophobicContact CG1-CZ 3.27Å
350T92.7Very high91.7Very high47 Ų4752.7 Ų52.729%0.28823%0.231SC..Hα-helixtrans-58.4-33.5175.652.20000112.2E348 L354 V392 T675E348-T350 PolarHBondContact O-N 3.21Å; E348-T350 VanDerWaalsContact O-N 3.14Å; T350-L354 PolarHBondContact O-N 3.43Å; T350-V392 HydrophobicContact CG2-CG1 4.41Å; T350-T675 HydrophobicContact CG2-CG2 4.24Å
351H92.8Very high91.6Very high56 Ų5644.4 Ų44.426%0.25920%0.2SC..Hα-helixtrans-73.8-38.4174.1-70.4-50.7000111.9E348 V349 L353 L354 F355 M671E348-H351 WeakPolarHBondContact O-CB 3.4Å; E348-H351 PolarHBondContact O-N 3.41Å; E348-H351 IonicContact OE2-CD2 3.88Å; E348-H351 PolarHBondContact OE2-CD2 2.99Å; V349-H351 PolarHBondContact O-N 3.19Å; H351-L353 PolarHBondContact O-N 3.23Å; H351-L354 VanDerWaalsContact O-CB 3.3Å; H351-L354 WeakPolarHBondContact O-CB 3.26Å; H351-L354 PolarHBondContact O-N 3.22Å; H351-F355 HydrophobicContact CB-CE1 4.47Å; H351-F355 HydrophobicContact CB-CE2 4.09Å; H351-F355 HydrophobicContact CB-CZ 3.87Å; H351-F355 VanDerWaalsContact O-CD1 3.31Å; H351-F355 WeakPolarHBondContact O-CD1 3.28Å; H351-F355 VanDerWaalsContact O-CD2 3.25Å; H351-F355 WeakPolarHBondContact O-CD2 3.24Å; H351-F355 WeakPolarHBondContact O-CG 3.39Å; H351-F355 PolarHBondContact O-N 2.99Å; H351-M671 WeakPolarHBondContact ND1-CE 3.44Å; H351-M671 PolarHBondContact ND1-SD 3.39Å
352L93.9Very high91.3Very high0 Ų043.6 Ų43.60%020%0.198CC..Hα-helixtrans-62.5-43.7175.6-66.5170.9000112F310 L314 L317 F341 L342 Q346 E348 V349 L354 F355 S356F310-L352 HydrophobicContact CZ-CD1 4.26Å; L314-L352 HydrophobicContact CD2-CD2 3.66Å; L314-L352 HydrophobicContact CD2-CG 4.09Å; L317-L352 HydrophobicContact CD1-CD2 3.91Å; F341-L352 HydrophobicContact CB-CD1 3.46Å; F341-L352 VanDerWaalsContact CB-CD1 3.46Å; F341-L352 HydrophobicContact CG-CD1 4.5Å; L342-L352 HydrophobicContact CD2-CB 4.07Å; Q346-L352 HydrophobicContact CG-CD1 4.37Å; E348-L352 PolarHBondContact O-N 2.89Å; V349-L352 WeakPolarHBondContact O-CB 3.48Å; V349-L352 PolarHBondContact O-N 3.01Å; L352-L354 VanDerWaalsContact C-N 3.27Å; L352-L354 PolarHBondContact O-N 3.03Å; L352-F355 HydrophobicContact CD2-CD2 4.29Å; L352-F355 PolarHBondContact O-N 2.91Å; L352-F355 VanDerWaalsContact O-N 3.15Å; L352-S356 PolarHBondContact O-N 3.27Å; L352-S356 PolarHBondContact O-OG 3.44Å
353L94.1Very high91Very high0 Ų046.8 Ų46.80%021%0.213CC..Hα-helixtrans-61.6-37174.2-70.7170.5000111.9L342 V349 H351 S356 A357 I376 F380 V392 S396L342-L353 HydrophobicContact CD2-CD2 3.81Å; L342-L353 HydrophobicContact CD2-CG 4.22Å; V349-L353 HydrophobicContact CG1-CD1 4.04Å; V349-L353 HydrophobicContact CG1-CG 4.38Å; V349-L353 PolarHBondContact O-N 3.41Å; H351-L353 PolarHBondContact O-N 3.23Å; L353-S356 PolarHBondContact O-N 2.74Å; L353-A357 PolarHBondContact O-N 3.31Å; L353-A357 VanDerWaalsContact O-N 3.09Å; L353-I376 HydrophobicContact CD2-CD1 3.87Å; L353-I376 HydrophobicContact CD2-CG1 3.92Å; L353-I376 HydrophobicContact CD2-CG2 4.41Å; L353-F380 HydrophobicContact CD1-CE1 4.08Å; L353-F380 HydrophobicContact CD1-CZ 4.18Å; L353-V392 HydrophobicContact CD1-CG1 3.6Å; L353-S396 WeakPolarHBondContact CB-OG 3.4Å
354L92.8Very high90.9Very high9 Ų939.4 Ų39.45%0.04719%0.185CC..Hα-helixtrans-61.2-47.1172-174.975.4000111.7T350 H351 L352 S356 A357 Q358 V669 M671 I674T350-L354 PolarHBondContact O-N 3.43Å; H351-L354 VanDerWaalsContact O-CB 3.3Å; H351-L354 WeakPolarHBondContact O-CB 3.26Å; H351-L354 PolarHBondContact O-N 3.22Å; L352-L354 VanDerWaalsContact C-N 3.27Å; L352-L354 PolarHBondContact O-N 3.03Å; L354-S356 VanDerWaalsContact C-N 3.3Å; L354-S356 PolarHBondContact O-N 3.1Å; L354-A357 PolarHBondContact O-N 3.23Å; L354-Q358 HydrophobicContact CG-CG 4.29Å; L354-Q358 WeakPolarHBondContact O-CB 3.18Å; L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 3.3Å; L354-V669 HydrophobicContact CD1-CB 3.52Å; L354-V669 HydrophobicContact CD1-CG1 3.37Å; L354-M671 HydrophobicContact CB-SD 3.75Å; L354-M671 HydrophobicContact CD1-SD 4.17Å; L354-M671 HydrophobicContact CD2-CG 3.83Å; L354-M671 HydrophobicContact CD2-SD 3.28Å; L354-M671 WeakPolarHBondContact CD2-SD 3.31Å; L354-M671 HydrophobicContact CG-SD 3.9Å; L354-I674 HydrophobicContact CB-CD1 3.73Å; L354-I674 HydrophobicContact CD1-CD1 3.59Å; L354-I674 HydrophobicContact CD1-CG1 4.42Å; L354-I674 HydrophobicContact CG-CD1 4.31Å
355F93.9Very high90.9Very high4 Ų438.2 Ų38.22%0.01818%0.177CC..Hα-helixtrans-63.4-38.2-179.3-55.9-26.5000111.7L314 L317 D318 S321 I338 H351 L352 Q358 A359L314-F355 HydrophobicContact CD2-CE2 3.97Å; L317-F355 HydrophobicContact CB-CD2 3.85Å; L317-F355 HydrophobicContact CB-CE2 4.06Å; D318-F355 HydrophobicContact CB-CD1 4.24Å; D318-F355 HydrophobicContact CB-CE1 3.47Å; D318-F355 VanDerWaalsContact CB-CE1 3.47Å; D318-F355 HydrophobicContact CB-CE2 4.33Å; D318-F355 HydrophobicContact CB-CZ 3.53Å; S321-F355 WeakPolarHBondContact CB-O 3.42Å; I338-F355 HydrophobicContact CD1-CB 4.43Å; H351-F355 HydrophobicContact CB-CE1 4.47Å; H351-F355 HydrophobicContact CB-CE2 4.09Å; H351-F355 HydrophobicContact CB-CZ 3.87Å; H351-F355 VanDerWaalsContact O-CD1 3.31Å; H351-F355 WeakPolarHBondContact O-CD1 3.28Å; H351-F355 VanDerWaalsContact O-CD2 3.25Å; H351-F355 WeakPolarHBondContact O-CD2 3.24Å; H351-F355 WeakPolarHBondContact O-CG 3.39Å; H351-F355 PolarHBondContact O-N 2.99Å; L352-F355 HydrophobicContact CD2-CD2 4.29Å; L352-F355 PolarHBondContact O-N 2.91Å; L352-F355 VanDerWaalsContact O-N 3.15Å; F355-Q358 PolarHBondContact O-N 3.43Å; F355-A359 VanDerWaalsContact O-CB 3.32Å; F355-A359 WeakPolarHBondContact O-CB 3.23Å; F355-A359 PolarHBondContact O-N 3.3Å
356S93.6Very high90.8Very high0 Ų032.2 Ų32.20%015%0.153CC..Hα-helixtrans-58.4-49.4171.3-63.70000112.1I338 L352 L353 L354 Q358 A359 S360I338-S356 WeakPolarHBondContact CG2-OG 3.4Å; L352-S356 PolarHBondContact O-N 3.27Å; L352-S356 PolarHBondContact O-OG 3.44Å; L353-S356 PolarHBondContact O-N 2.74Å; L354-S356 VanDerWaalsContact C-N 3.3Å; L354-S356 PolarHBondContact O-N 3.1Å; S356-Q358 PolarHBondContact O-N 2.91Å; S356-A359 PolarHBondContact O-N 3Å; S356-S360 PolarHBondContact O-N 2.88Å; S356-S360 PolarHBondContact O-OG 2.97Å
357A92.8Very high90.8Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-65.1-38.6178.800000112.6L353 L354 S360 E399 I400 R403 V669L353-A357 PolarHBondContact O-N 3.31Å; L353-A357 VanDerWaalsContact O-N 3.09Å; L354-A357 PolarHBondContact O-N 3.23Å; A357-S360 PolarHBondContact O-N 3.02Å; A357-E399 HydrophobicContact CB-CB 3.97Å; A357-I400 HydrophobicContact CB-CG1 4Å; A357-R403 WeakPolarHBondContact O-CD 3.48Å; A357-R403 PolarHBondContact O-NE 3.3Å; A357-V669 HydrophobicContact CB-CG2 4.04Å
358Q90.9Very high91Very high11 Ų1126.8 Ų26.85%0.05114%0.142CC..Hα-helixtrans-69.3-36.7178.3-74.4178.6-11.900113.4S321 G325 L354 F355 S356 S360 V669S321-Q358 PolarHBondContact OG-OE1 2.93Å; S321-Q358 VanDerWaalsContact OG-OE1 3.13Å; G325-Q358 VanDerWaalsContact CA-O 3.27Å; G325-Q358 WeakPolarHBondContact CA-O 3.36Å; L354-Q358 HydrophobicContact CG-CG 4.29Å; L354-Q358 WeakPolarHBondContact O-CB 3.18Å; L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 3.3Å; F355-Q358 PolarHBondContact O-N 3.43Å; S356-Q358 PolarHBondContact O-N 2.91Å; Q358-S360 VanDerWaalsContact C-N 3.29Å; Q358-V669 HydrophobicContact CG-CB 3.76Å; Q358-V669 HydrophobicContact CG-CG2 3.68Å; Q358-V669 PolarHBondContact NE2-O 3.15Å; Q358-V669 VanDerWaalsContact NE2-O 3.1Å
359A92.7Very high91.2Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-75.8-18.217800000112.9I324 F334 Y335 F355 S356 H361I324-A359 HydrophobicContact CB-CB 4.21Å; I324-A359 HydrophobicContact CD1-CB 4.14Å; I324-A359 HydrophobicContact CG2-CB 3.95Å; I324-A359 WeakPolarHBondContact CG2-O 3.43Å; F334-A359 HydrophobicContact CD1-CB 3.95Å; F334-A359 HydrophobicContact CE1-CB 3.41Å; F334-A359 VanDerWaalsContact CE1-CB 3.41Å; F334-A359 HydrophobicContact CZ-CB 4.34Å; Y335-A359 HydrophobicContact CE1-CB 4.14Å; Y335-A359 PolarHBondContact OH-O 3.47Å; F355-A359 VanDerWaalsContact O-CB 3.32Å; F355-A359 WeakPolarHBondContact O-CB 3.23Å; F355-A359 PolarHBondContact O-N 3.3Å; S356-A359 PolarHBondContact O-N 3Å; A359-H361 PolarHBondContact O-N 3.25Å
360S91Very high91.1Very high3 Ų324.4 Ų24.42%0.02113%0.13CC..  trans-67.9131.6179.2-58.20000110.9S356 A357 Q358 M369 R403S356-S360 PolarHBondContact O-N 2.88Å; S356-S360 PolarHBondContact O-OG 2.97Å; A357-S360 PolarHBondContact O-N 3.02Å; Q358-S360 VanDerWaalsContact C-N 3.29Å; S360-M369 WeakPolarHBondContact OG-CE 3.2Å; S360-R403 VanDerWaalsContact O-CD 3.25Å; S360-R403 WeakPolarHBondContact O-CD 3.43Å
361H89.4Confident91.2Very high10 Ų1024.6 Ų24.65%0.04613%0.132CC..  trans-153.7164.8172.95958000111.1L329 A359 Q363 V364 C404 Y406L329-H361 PolarHBondContact O-NE2 3.05Å; A359-H361 PolarHBondContact O-N 3.25Å; H361-Q363 PolarHBondContact ND1-N 2.9Å; H361-Q363 VanDerWaalsContact ND1-N 3.14Å; H361-Q363 PolarHBondContact O-N 3.11Å; H361-V364 WeakPolarHBondContact CE1-CG2 3.46Å; H361-V364 WeakPolarHBondContact ND1-CG2 3.35Å; H361-V364 PolarHBondContact ND1-N 3.18Å; H361-V364 WeakPolarHBondContact O-CG2 3.27Å; H361-V364 PolarHBondContact O-N 2.69Å; H361-C404 PolarHBondContact N-SG 3.07Å; H361-C404 PolarHBondContact O-SG 2.9Å; H361-Y406 PolarHBondContact O-OH 3.47Å
362D85.6Confident91.2Very high25 Ų2522 Ų2213%0.13412%0.12CC..THydrogen-bonded Turntrans-54.3-22.1-177.2-178.745.7000116Y406D362-Y406 WeakPolarHBondContact CA-OH 3.27Å; D362-Y406 PolarHBondContact O-OH 3.14Å
363Q86.3Confident91.3Very high66 Ų6622 Ų2231%0.30812%0.12SC..THydrogen-bonded Turntrans-93.412.4177.9-55.4-64.3-55.600114.4H361 Y474H361-Q363 PolarHBondContact ND1-N 2.9Å; H361-Q363 VanDerWaalsContact ND1-N 3.14Å; H361-Q363 PolarHBondContact O-N 3.11Å; Q363-Y474 PolarHBondContact O-OH 2.83Å
364V88.9Confident91.3Very high2 Ų227.2 Ų27.21%0.01214%0.14CC..SBendtrans-94128.5173-170.20000109.9Y335 H361 M369 Y406 Y474Y335-V364 HydrophobicContact CD2-CG1 4.47Å; Y335-V364 HydrophobicContact CE2-CG1 3.74Å; Y335-V364 HydrophobicContact CE2-CG2 4.4Å; Y335-V364 WeakPolarHBondContact OH-CG2 3.32Å; H361-V364 WeakPolarHBondContact CE1-CG2 3.46Å; H361-V364 WeakPolarHBondContact ND1-CG2 3.35Å; H361-V364 PolarHBondContact ND1-N 3.18Å; H361-V364 WeakPolarHBondContact O-CG2 3.27Å; H361-V364 PolarHBondContact O-N 2.69Å; V364-M369 HydrophobicContact CB-CG 4.11Å; V364-M369 HydrophobicContact CB-SD 4.27Å; V364-M369 HydrophobicContact CG1-CG 3.7Å; V364-M369 HydrophobicContact CG1-SD 3.69Å; V364-Y406 WeakPolarHBondContact O-CE2 3.46Å; V364-Y406 PolarHBondContact O-OH 2.92Å; V364-Y474 WeakPolarHBondContact O-CD2 3.44Å; V364-Y474 WeakPolarHBondContact O-CE2 2.86Å
365P89.4Confident91.3Very high25 Ų2528.5 Ų28.516%0.16215%0.148CC..  trans-59.1144178.7-25.534000113.6L332 D367 V368 M369 Y474L332-P365 HydrophobicContact CD2-CG 4.25Å; P365-D367 VanDerWaalsContact C-N 3.26Å; P365-D367 PolarHBondContact O-N 3.11Å; P365-V368 PolarHBondContact O-N 3.27Å; P365-M369 PolarHBondContact O-N 3.12Å; P365-Y474 HydrophobicContact CB-CE2 4.44Å; P365-Y474 HydrophobicContact CG-CE2 4.23Å
366P86.9Confident91.4Very high40 Ų4028.3 Ų28.326%0.2615%0.147SC..Hα-helixtrans-57.8-37.3176.320.7-30.8000112.6V368 M369 E370 Y406P366-V368 PolarHBondContact O-N 3.35Å; P366-M369 PolarHBondContact O-N 3.3Å; P366-E370 PolarHBondContact O-N 2.78Å; P366-Y406 HydrophobicContact CB-CD2 3.95Å; P366-Y406 HydrophobicContact CB-CE2 4.46Å; P366-Y406 HydrophobicContact CG-CD2 4.49Å
367D90.1Very high91.4Very high129 Ų12928.8 Ų28.869%0.6915%0.152SC*.Hα-helixtrans-56.7-25.9-177.5-56.9-11.9000113.8P365 P371P365-D367 VanDerWaalsContact C-N 3.26Å; P365-D367 PolarHBondContact O-N 3.11Å; D367-P371 WeakPolarHBondContact O-CD 3.47Å; D367-P371 WeakPolarHBondContact O-CG 3.32Å
368V92.5Very high91.5Very high28 Ų2833.8 Ų33.817%0.1718%0.178CC..Hα-helixtrans-93.8-32.6178.9-1790000111.4L332 Y335 P365 P366L332-V368 HydrophobicContact CD2-CG2 4.33Å; Y335-V368 HydrophobicContact CD2-CG1 3.44Å; Y335-V368 VanDerWaalsContact CD2-CG1 3.44Å; Y335-V368 HydrophobicContact CE2-CG1 4.37Å; Y335-V368 HydrophobicContact CG-CG1 3.71Å; P365-V368 PolarHBondContact O-N 3.27Å; P366-V368 PolarHBondContact O-N 3.35Å
369M91.8Very high91.6Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-80.9-37-177.1-64.6-54-62.700112.9Y335 S360 V364 P365 P366 L372 I373 I400 A407Y335-M369 HydrophobicContact CD1-SD 3.95Å; Y335-M369 HydrophobicContact CE1-SD 3.76Å; S360-M369 WeakPolarHBondContact OG-CE 3.2Å; V364-M369 HydrophobicContact CB-CG 4.11Å; V364-M369 HydrophobicContact CB-SD 4.27Å; V364-M369 HydrophobicContact CG1-CG 3.7Å; V364-M369 HydrophobicContact CG1-SD 3.69Å; P365-M369 PolarHBondContact O-N 3.12Å; P366-M369 PolarHBondContact O-N 3.3Å; M369-L372 HydrophobicContact CE-CD2 3.84Å; M369-L372 WeakPolarHBondContact O-CB 3.39Å; M369-L372 PolarHBondContact O-N 3.34Å; M369-L372 HydrophobicContact SD-CD2 4.31Å; M369-I373 WeakPolarHBondContact O-CG1 3.45Å; M369-I373 PolarHBondContact O-N 3.45Å; M369-I400 HydrophobicContact CE-CG2 3.56Å; M369-A407 HydrophobicContact CB-CB 3.68Å
370E91.5Very high91.7Very high57 Ų5736.4 Ų36.427%0.26619%0.192SC..Hα-helixtrans-60.2-49.1177.7-179.3-171.2166.600111.7P366 L372 I373 R374 T409P366-E370 PolarHBondContact O-N 2.78Å; E370-L372 PolarHBondContact O-N 3.27Å; E370-I373 PolarHBondContact O-N 3.3Å; E370-R374 WeakPolarHBondContact O-CB 3.46Å; E370-R374 PolarHBondContact O-N 3.23Å; E370-R374 IonicContact OE1-CZ 3.76Å; E370-R374 IonicContact OE1-NE 3.53Å; E370-R374 IonicContact OE1-NH2 2.74Å; E370-R374 PolarHBondContact OE1-NH2 2.98Å; E370-T409 HydrophobicContact CG-CG2 4.37Å; E370-T409 WeakPolarHBondContact OE1-CG2 3.34Å
371P93.8Very high91.9Very high52 Ų5237 Ų3734%0.33820%0.195SC..Hα-helixtrans-59.4-35.2175.3-24.934.7000112.8D367 R374 V375D367-P371 WeakPolarHBondContact O-CD 3.47Å; D367-P371 WeakPolarHBondContact O-CG 3.32Å; P371-R374 PolarHBondContact O-N 3.35Å; P371-V375 WeakPolarHBondContact O-CB 3.41Å; P371-V375 VanDerWaalsContact O-CG2 3.23Å; P371-V375 WeakPolarHBondContact O-CG2 3.46Å; P371-V375 PolarHBondContact O-N 2.59Å
372L94.3Very high92Very high0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-63.5-47.8177-178.671.4000111.3Y335 Q339 L342 M369 E370 V375 I376Y335-L372 HydrophobicContact CD1-CD2 3.95Å; Q339-L372 HydrophobicContact CG-CD1 3.63Å; L342-L372 HydrophobicContact CD1-CD1 3.62Å; M369-L372 HydrophobicContact CE-CD2 3.84Å; M369-L372 WeakPolarHBondContact O-CB 3.39Å; M369-L372 PolarHBondContact O-N 3.34Å; M369-L372 HydrophobicContact SD-CD2 4.31Å; E370-L372 PolarHBondContact O-N 3.27Å; L372-V375 PolarHBondContact O-N 3.48Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.26Å; L372-I376 VanDerWaalsContact O-N 3.15Å
373I94.4Very high92.1Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-67.1-40178.8-64.2-176.6000110.6M369 E370 V375 I376 A377 V397 I400 A407 V408 L412M369-I373 WeakPolarHBondContact O-CG1 3.45Å; M369-I373 PolarHBondContact O-N 3.45Å; E370-I373 PolarHBondContact O-N 3.3Å; I373-V375 PolarHBondContact O-N 2.98Å; I373-I376 WeakPolarHBondContact O-CB 3.36Å; I373-I376 PolarHBondContact O-N 3.42Å; I373-I376 VanDerWaalsContact O-N 3.09Å; I373-A377 PolarHBondContact O-N 3.18Å; I373-V397 HydrophobicContact CG2-CG1 4.01Å; I373-V397 HydrophobicContact CG2-CG2 4.06Å; I373-I400 HydrophobicContact CD1-CG2 3.93Å; I373-I400 HydrophobicContact CG1-CG2 4.27Å; I373-A407 HydrophobicContact CD1-CB 3.48Å; I373-A407 VanDerWaalsContact CD1-CB 3.48Å; I373-V408 HydrophobicContact CD1-CG2 3.5Å; I373-V408 HydrophobicContact CG2-CG2 4.26Å; I373-L412 HydrophobicContact CG2-CD2 3.78Å
374R94.2Very high92.3Very high110 Ų11054.5 Ų54.542%0.41527%0.269SS..Hα-helixtrans-58.6-46.5176-169.2175.7-67-95.74.1111.6E370 P371 I376 A377 D378E370-R374 WeakPolarHBondContact O-CB 3.46Å; E370-R374 PolarHBondContact O-N 3.23Å; E370-R374 IonicContact OE1-CZ 3.76Å; E370-R374 IonicContact OE1-NE 3.53Å; E370-R374 IonicContact OE1-NH2 2.74Å; E370-R374 PolarHBondContact OE1-NH2 2.98Å; P371-R374 PolarHBondContact O-N 3.35Å; R374-I376 VanDerWaalsContact C-N 3.28Å; R374-I376 PolarHBondContact O-N 3.21Å; R374-A377 WeakPolarHBondContact O-CB 3.01Å; R374-A377 PolarHBondContact O-N 3.35Å; R374-A377 VanDerWaalsContact O-N 3.1Å; R374-D378 WeakPolarHBondContact O-CB 3.27Å; R374-D378 PolarHBondContact O-N 2.66Å
375V94.5Very high92.4Very high36 Ų3655.3 Ų55.322%0.21828%0.276CS..Hα-helixtrans-59.7-36.7174.2169.50000112.2Q339 L342 P371 L372 I373 N379Q339-V375 HydrophobicContact CG-CG2 4.43Å; L342-V375 HydrophobicContact CB-CG1 4.07Å; L342-V375 HydrophobicContact CD1-CG1 4.43Å; P371-V375 WeakPolarHBondContact O-CB 3.41Å; P371-V375 VanDerWaalsContact O-CG2 3.23Å; P371-V375 WeakPolarHBondContact O-CG2 3.46Å; P371-V375 PolarHBondContact O-N 2.59Å; L372-V375 PolarHBondContact O-N 3.48Å; I373-V375 PolarHBondContact O-N 2.98Å; V375-N379 WeakPolarHBondContact O-CB 3.49Å; V375-N379 PolarHBondContact O-N 3.37Å; V375-N379 PolarHBondContact O-ND2 3.15Å; V375-N379 VanDerWaalsContact O-ND2 3.09Å
376I95.2Very high92.5Very high0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-67.9-44.1174.9-65.4167.5000110.5L342 L353 L372 I373 R374 F380 V397 I400L342-I376 HydrophobicContact CD1-CD1 4.32Å; L342-I376 HydrophobicContact CD1-CG1 3.86Å; L353-I376 HydrophobicContact CD2-CD1 3.87Å; L353-I376 HydrophobicContact CD2-CG1 3.92Å; L353-I376 HydrophobicContact CD2-CG2 4.41Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.26Å; L372-I376 VanDerWaalsContact O-N 3.15Å; I373-I376 WeakPolarHBondContact O-CB 3.36Å; I373-I376 PolarHBondContact O-N 3.42Å; I373-I376 VanDerWaalsContact O-N 3.09Å; R374-I376 VanDerWaalsContact C-N 3.28Å; R374-I376 PolarHBondContact O-N 3.21Å; I376-F380 HydrophobicContact CG2-CD2 4.2Å; I376-F380 WeakPolarHBondContact O-CB 3.32Å; I376-F380 WeakPolarHBondContact O-CD2 3.48Å; I376-F380 PolarHBondContact O-N 3.22Å; I376-V397 HydrophobicContact CB-CG2 4.46Å; I376-V397 HydrophobicContact CG2-CG2 3.89Å; I376-I400 HydrophobicContact CD1-CD1 3.79Å
377A94.3Very high92.8Very high11 Ų1157.7 Ų57.79%0.09129%0.294CS..Hα-helixtrans-61.1-49.9178.600000111.5I373 R374 N379 I381 L412I373-A377 PolarHBondContact O-N 3.18Å; R374-A377 WeakPolarHBondContact O-CB 3.01Å; R374-A377 PolarHBondContact O-N 3.35Å; R374-A377 VanDerWaalsContact O-N 3.1Å; A377-N379 VanDerWaalsContact C-N 3.31Å; A377-N379 PolarHBondContact O-N 2.99Å; A377-I381 HydrophobicContact CB-CD1 4.48Å; A377-I381 CarbonylContact O-C 3.47Å; A377-I381 WeakPolarHBondContact O-CA 3.21Å; A377-I381 WeakPolarHBondContact O-CB 3.49Å; A377-I381 PolarHBondContact O-N 3.21Å; A377-L412 HydrophobicContact CB-CD1 4.05Å
378D93.9Very high92.7Very high104 Ų10457.5 Ų57.556%0.55629%0.289SS*.Hα-helixtrans-64.9-32.2-177-64.3-19.3000113R374 T382R374-D378 WeakPolarHBondContact O-CB 3.27Å; R374-D378 PolarHBondContact O-N 2.66Å; D378-T382 WeakPolarHBondContact O-CG2 3.35Å
379N93.9Very high92.7Very high62 Ų6257 Ų5733%0.33229%0.287SS..Hα-helixtrans-95.4-36.2-176.6-71.5-41.8000113.9L342 P344 V375 A377L342-N379 PolarHBondContact O-ND2 3.19Å; P344-N379 VanDerWaalsContact CG-O 3.25Å; P344-N379 WeakPolarHBondContact CG-O 3.49Å; V375-N379 WeakPolarHBondContact O-CB 3.49Å; V375-N379 PolarHBondContact O-N 3.37Å; V375-N379 PolarHBondContact O-ND2 3.15Å; V375-N379 VanDerWaalsContact O-ND2 3.09Å; A377-N379 VanDerWaalsContact C-N 3.31Å; A377-N379 PolarHBondContact O-N 2.99Å
380F94.6Very high92.8Very high4 Ų457 Ų572%0.01829%0.287CS..Hα-helixtrans-106-33.8-173.8-67.5-96.1000113.6L342 P344 V349 L353 I376 T382 A385 A389 I390L342-F380 HydrophobicContact CB-CE2 4.47Å; P344-F380 HydrophobicContact CB-CD1 4.5Å; P344-F380 HydrophobicContact CB-CE1 4.11Å; P344-F380 HydrophobicContact CG-CD1 3.97Å; P344-F380 HydrophobicContact CG-CE1 3.85Å; P344-F380 HydrophobicContact CG-CE2 4.43Å; P344-F380 HydrophobicContact CG-CG 4.3Å; P344-F380 HydrophobicContact CG-CZ 4.07Å; V349-F380 HydrophobicContact CG1-CE1 3.49Å; V349-F380 VanDerWaalsContact CG1-CE1 3.49Å; V349-F380 HydrophobicContact CG1-CE2 4.5Å; V349-F380 HydrophobicContact CG1-CZ 3.27Å; L353-F380 HydrophobicContact CD1-CE1 4.08Å; L353-F380 HydrophobicContact CD1-CZ 4.18Å; I376-F380 HydrophobicContact CG2-CD2 4.2Å; I376-F380 WeakPolarHBondContact O-CB 3.32Å; I376-F380 WeakPolarHBondContact O-CD2 3.48Å; I376-F380 PolarHBondContact O-N 3.22Å; F380-T382 VanDerWaalsContact C-N 3.32Å; F380-T382 PolarHBondContact O-N 3.47Å; F380-A385 VanDerWaalsContact O-CB 3.28Å; F380-A385 WeakPolarHBondContact O-CB 3.46Å; F380-A389 HydrophobicContact CD1-CB 4.41Å; F380-I390 WeakPolarHBondContact O-CA 3.44Å; F380-I390 WeakPolarHBondContact O-CG1 3.3Å
381I94.2Very high92.9Very high15 Ų1554.3 Ų54.38%0.07728%0.275CS..SBendtrans-104.152.1-169.2-45177.4000108.8A377 I390 L394 V397 L416 Y419A377-I381 HydrophobicContact CB-CD1 4.48Å; A377-I381 CarbonylContact O-C 3.47Å; A377-I381 WeakPolarHBondContact O-CA 3.21Å; A377-I381 WeakPolarHBondContact O-CB 3.49Å; A377-I381 PolarHBondContact O-N 3.21Å; I381-I390 HydrophobicContact CG2-CG2 4.41Å; I381-L394 HydrophobicContact CD1-CD2 4Å; I381-L394 HydrophobicContact CD1-CG 4.24Å; I381-L394 HydrophobicContact CG2-CD2 4.29Å; I381-L394 HydrophobicContact CG2-CG 4.45Å; I381-V397 HydrophobicContact CD1-CG2 4.21Å; I381-L416 HydrophobicContact CD1-CD2 3.44Å; I381-L416 VanDerWaalsContact CD1-CD2 3.44Å; I381-L416 HydrophobicContact CG2-CD2 4.16Å; I381-Y419 HydrophobicContact CG2-CD2 3.99Å; I381-Y419 HydrophobicContact CG2-CE2 3.38Å; I381-Y419 PolarHBondContact O-OH 2.96Å
382T92.2Very high92.9Very high47 Ų4752.8 Ų52.829%0.28827%0.265SS..SBendtrans-113.1151.8175.961.60000110.1D378 F380 R384 A385 I390D378-T382 WeakPolarHBondContact O-CG2 3.35Å; F380-T382 VanDerWaalsContact C-N 3.32Å; F380-T382 PolarHBondContact O-N 3.47Å; T382-R384 PolarHBondContact O-N 3.37Å; T382-R384 VanDerWaalsContact O-N 3.13Å; T382-A385 WeakPolarHBondContact O-CB 3.03Å; T382-A385 PolarHBondContact O-N 2.91Å; T382-A385 PolarHBondContact OG1-N 3.46Å; T382-I390 WeakPolarHBondContact O-CD1 3.44Å
383E86.7Confident92.9Very high174 Ų17452.8 Ų52.881%0.81327%0.265SS*.THydrogen-bonded Turntrans-61-24.4177.8-60.6-174.8160.300113.2
384R91.2Very high92.9Very high248 Ų24852.8 Ų52.894%0.93627%0.265SS*.THydrogen-bonded Turntrans-79.8-19.5177.9-59.8-178.6-176-174.11.2113.1T382T382-R384 PolarHBondContact O-N 3.37Å; T382-R384 VanDerWaalsContact O-N 3.13Å
385A91.1Very high92.9Very high20 Ų2048.1 Ų48.117%0.16525%0.248CC..SBendtrans-71.6155.8-178.700000111.1F380 T382 A389 I390F380-A385 VanDerWaalsContact O-CB 3.28Å; F380-A385 WeakPolarHBondContact O-CB 3.46Å; T382-A385 WeakPolarHBondContact O-CB 3.03Å; T382-A385 PolarHBondContact O-N 2.91Å; T382-A385 PolarHBondContact OG1-N 3.46Å; A385-A389 HydrophobicContact CB-CB 4.3Å; A385-I390 HydrophobicContact CB-CD1 4.44Å; A385-I390 HydrophobicContact CB-CG1 3.89Å
386S91.7Very high92.9Very high71 Ų7146.4 Ų46.450%0.49724%0.238SC..  trans-64.6149.7173.971.30000110.2E388 A389 I390S386-E388 PolarHBondContact O-N 3.09Å; S386-E388 VanDerWaalsContact O-N 3.09Å; S386-A389 WeakPolarHBondContact O-CB 3.48Å; S386-A389 PolarHBondContact O-N 2.72Å; S386-A389 WeakPolarHBondContact OG-CB 3.49Å; S386-A389 PolarHBondContact OG-N 3.37Å; S386-A389 VanDerWaalsContact OG-N 3.16Å; S386-I390 WeakPolarHBondContact O-CG1 3.39Å; S386-I390 PolarHBondContact O-N 2.68Å
387S91.7Very high92.8Very high44 Ų4446.5 Ų46.531%0.30824%0.238SC..Hα-helixtrans-58.7-26.8178.155.40000113.7A391 N424 V427S387-A391 WeakPolarHBondContact O-CB 3.3Å; S387-A391 PolarHBondContact O-N 3.11Å; S387-A391 VanDerWaalsContact O-N 3.13Å; S387-N424 WeakPolarHBondContact CB-ND2 3.45Å; S387-V427 WeakPolarHBondContact O-CG2 3.41Å
388E89.9Confident92.8Very high125 Ų12549 Ų4958%0.58425%0.246SC*.Hα-helixtrans-72.1-44.7173.9-62.6-178.516900111.3S386 I390 A391 V392S386-E388 PolarHBondContact O-N 3.09Å; S386-E388 VanDerWaalsContact O-N 3.09Å; E388-I390 VanDerWaalsContact C-N 3.35Å; E388-I390 PolarHBondContact O-N 2.92Å; E388-A391 PolarHBondContact O-N 3.08Å; E388-V392 WeakPolarHBondContact O-CB 3.31Å; E388-V392 VanDerWaalsContact O-CG2 3.3Å; E388-V392 WeakPolarHBondContact O-CG2 3.25Å; E388-V392 PolarHBondContact O-N 3.17Å
389A92.4Very high92.6Very high16 Ų1644.9 Ų44.913%0.13222%0.223CC..Hα-helixtrans-62-42.1176.200000111.7F380 A385 S386 V392 G393F380-A389 HydrophobicContact CD1-CB 4.41Å; A385-A389 HydrophobicContact CB-CB 4.3Å; S386-A389 WeakPolarHBondContact O-CB 3.48Å; S386-A389 PolarHBondContact O-N 2.72Å; S386-A389 WeakPolarHBondContact OG-CB 3.49Å; S386-A389 PolarHBondContact OG-N 3.37Å; S386-A389 VanDerWaalsContact OG-N 3.16Å; A389-V392 PolarHBondContact O-N 3.37Å; A389-G393 PolarHBondContact O-N 2.86Å
390I94.2Very high92.6Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-62.2-46.2175.9-61.2168.7000110.5F380 I381 T382 A385 S386 E388 V392 G393 L394 Y419 V427F380-I390 WeakPolarHBondContact O-CA 3.44Å; F380-I390 WeakPolarHBondContact O-CG1 3.3Å; I381-I390 HydrophobicContact CG2-CG2 4.41Å; T382-I390 WeakPolarHBondContact O-CD1 3.44Å; A385-I390 HydrophobicContact CB-CD1 4.44Å; A385-I390 HydrophobicContact CB-CG1 3.89Å; S386-I390 WeakPolarHBondContact O-CG1 3.39Å; S386-I390 PolarHBondContact O-N 2.68Å; E388-I390 VanDerWaalsContact C-N 3.35Å; E388-I390 PolarHBondContact O-N 2.92Å; I390-V392 PolarHBondContact O-N 3.4Å; I390-G393 PolarHBondContact O-N 3.2Å; I390-L394 HydrophobicContact CG2-CD1 3.99Å; I390-L394 WeakPolarHBondContact O-CG 3.36Å; I390-L394 PolarHBondContact O-N 2.77Å; I390-Y419 HydrophobicContact CD1-CE1 4.47Å; I390-Y419 HydrophobicContact CG2-CD1 4.07Å; I390-Y419 HydrophobicContact CG2-CE1 3.98Å; I390-V427 HydrophobicContact CB-CG2 4.09Å; I390-V427 HydrophobicContact CG2-CB 4.47Å; I390-V427 HydrophobicContact CG2-CG1 3.72Å; I390-V427 HydrophobicContact CG2-CG2 3.93Å
391A93.1Very high92.4Very high1 Ų141.8 Ų41.81%0.00821%0.206CC..Hα-helixtrans-62.9-43.5178.900000111.9S387 E388 N395 N426 V427S387-A391 WeakPolarHBondContact O-CB 3.3Å; S387-A391 PolarHBondContact O-N 3.11Å; S387-A391 VanDerWaalsContact O-N 3.13Å; E388-A391 PolarHBondContact O-N 3.08Å; A391-N395 WeakPolarHBondContact O-CB 3.44Å; A391-N395 PolarHBondContact O-N 3.48Å; A391-N395 PolarHBondContact O-ND2 3.23Å; A391-N426 HydrophobicContact CB-CB 4.25Å; A391-V427 HydrophobicContact CB-CG2 4.16Å
392V93.3Very high92.1Very high20 Ų2044.8 Ų44.812%0.12122%0.222CC..Hα-helixtrans-61.6-47.3175.3167.10000110.7T350 L353 E388 A389 I390 N395 S396 I674T350-V392 HydrophobicContact CG2-CG1 4.41Å; L353-V392 HydrophobicContact CD1-CG1 3.6Å; E388-V392 WeakPolarHBondContact O-CB 3.31Å; E388-V392 VanDerWaalsContact O-CG2 3.3Å; E388-V392 WeakPolarHBondContact O-CG2 3.25Å; E388-V392 PolarHBondContact O-N 3.17Å; A389-V392 PolarHBondContact O-N 3.37Å; I390-V392 PolarHBondContact O-N 3.4Å; V392-N395 PolarHBondContact O-N 3.04Å; V392-S396 WeakPolarHBondContact O-CB 3.09Å; V392-S396 PolarHBondContact O-N 3.36Å; V392-S396 PolarHBondContact O-OG 3.11Å; V392-I674 HydrophobicContact CG1-CG2 3.83Å
393G94.5Very high91.8Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-57.8-50.3177.600000112.6A389 I390 N395 S396 V397A389-G393 PolarHBondContact O-N 2.86Å; I390-G393 PolarHBondContact O-N 3.2Å; G393-N395 PolarHBondContact O-N 2.9Å; G393-S396 WeakPolarHBondContact O-CB 3.46Å; G393-S396 PolarHBondContact O-N 3.43Å; G393-V397 WeakPolarHBondContact O-CG2 3.38Å; G393-V397 PolarHBondContact O-N 3.23Å
394L94.6Very high91.8Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-61.8-42.5177.9-73.7169.3000112.5I381 I390 S396 V397 R398 L416 Y419 V427 A430 A431 I434I381-L394 HydrophobicContact CD1-CD2 4Å; I381-L394 HydrophobicContact CD1-CG 4.24Å; I381-L394 HydrophobicContact CG2-CD2 4.29Å; I381-L394 HydrophobicContact CG2-CG 4.45Å; I390-L394 HydrophobicContact CG2-CD1 3.99Å; I390-L394 WeakPolarHBondContact O-CG 3.36Å; I390-L394 PolarHBondContact O-N 2.77Å; L394-S396 VanDerWaalsContact C-N 3.34Å; L394-V397 PolarHBondContact O-N 3.21Å; L394-R398 WeakPolarHBondContact O-CB 3.5Å; L394-R398 PolarHBondContact O-N 3Å; L394-L416 HydrophobicContact CD2-CB 4.26Å; L394-L416 HydrophobicContact CD2-CD2 3.86Å; L394-Y419 HydrophobicContact CD1-CG 4.37Å; L394-V427 HydrophobicContact CD1-CG1 3.83Å; L394-A430 HydrophobicContact CB-CB 3.58Å; L394-A430 HydrophobicContact CD1-CB 4.1Å; L394-A431 HydrophobicContact CD1-CB 4.38Å; L394-I434 HydrophobicContact CB-CD1 4.38Å; L394-I434 HydrophobicContact CD2-CD1 3.81Å
395N94.2Very high91.5Very high13 Ų1325.5 Ų25.57%0.0714%0.139CC..Hα-helixtrans-64.8-38.6176.2-72.7-26000111.8A391 V392 G393 R398 E399 A430 I674A391-N395 WeakPolarHBondContact O-CB 3.44Å; A391-N395 PolarHBondContact O-N 3.48Å; A391-N395 PolarHBondContact O-ND2 3.23Å; V392-N395 PolarHBondContact O-N 3.04Å; G393-N395 PolarHBondContact O-N 2.9Å; N395-R398 WeakPolarHBondContact O-CB 3.23Å; N395-R398 PolarHBondContact O-N 3.14Å; N395-E399 WeakPolarHBondContact O-CG 3.34Å; N395-E399 PolarHBondContact O-N 3.25Å; N395-A430 VanDerWaalsContact OD1-CB 3.23Å; N395-A430 WeakPolarHBondContact OD1-CB 3.44Å; N395-I674 WeakPolarHBondContact CB-O 3.28Å; N395-I674 PolarHBondContact ND2-O 3.42Å
396S93.6Very high91.2Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-63.8-46.2175.4-62.60000111.9L353 V392 G393 L394 R398 E399 I400 I674L353-S396 WeakPolarHBondContact CB-OG 3.4Å; V392-S396 WeakPolarHBondContact O-CB 3.09Å; V392-S396 PolarHBondContact O-N 3.36Å; V392-S396 PolarHBondContact O-OG 3.11Å; G393-S396 WeakPolarHBondContact O-CB 3.46Å; G393-S396 PolarHBondContact O-N 3.43Å; L394-S396 VanDerWaalsContact C-N 3.34Å; S396-R398 VanDerWaalsContact C-N 3.32Å; S396-R398 PolarHBondContact O-N 3.14Å; S396-E399 PolarHBondContact O-N 3.49Å; S396-I400 WeakPolarHBondContact O-CG1 3.34Å; S396-I400 PolarHBondContact O-N 2.8Å; S396-I674 WeakPolarHBondContact OG-CG2 3.3Å
397V94.3Very high91Very high1 Ų123.1 Ų23.11%0.00612%0.115CC..Hα-helixtrans-59.7-45.3175.3174.90000110.4I373 I376 I381 G393 L394 E399 I400 C401 V408 L416I373-V397 HydrophobicContact CG2-CG1 4.01Å; I373-V397 HydrophobicContact CG2-CG2 4.06Å; I376-V397 HydrophobicContact CB-CG2 4.46Å; I376-V397 HydrophobicContact CG2-CG2 3.89Å; I381-V397 HydrophobicContact CD1-CG2 4.21Å; G393-V397 WeakPolarHBondContact O-CG2 3.38Å; G393-V397 PolarHBondContact O-N 3.23Å; L394-V397 PolarHBondContact O-N 3.21Å; V397-E399 VanDerWaalsContact C-N 3.32Å; V397-E399 PolarHBondContact O-N 3.1Å; V397-I400 PolarHBondContact O-N 3.34Å; V397-I400 VanDerWaalsContact O-N 3.15Å; V397-C401 WeakPolarHBondContact O-CB 3.39Å; V397-C401 PolarHBondContact O-N 2.81Å; V397-C401 PolarHBondContact O-SG 3.34Å; V397-V408 HydrophobicContact CG1-CG2 4.49Å; V397-L416 HydrophobicContact CG1-CD1 3.82Å
398R92.8Very high90.8Very high65 Ų6521.4 Ų21.425%0.24510%0.103CC..Hα-helixtrans-55-45175.9-176.4-136.6174.5-139.9-15.2112.6L394 N395 S396 C401 L402 S433 I434 L437L394-R398 WeakPolarHBondContact O-CB 3.5Å; L394-R398 PolarHBondContact O-N 3Å; N395-R398 WeakPolarHBondContact O-CB 3.23Å; N395-R398 PolarHBondContact O-N 3.14Å; S396-R398 VanDerWaalsContact C-N 3.32Å; S396-R398 PolarHBondContact O-N 3.14Å; R398-C401 PolarHBondContact O-N 3.21Å; R398-L402 WeakPolarHBondContact O-CB 3.39Å; R398-L402 PolarHBondContact O-N 3.03Å; R398-S433 WeakPolarHBondContact CD-OG 3.35Å; R398-I434 HydrophobicContact CB-CG1 3.72Å; R398-I434 HydrophobicContact CG-CG1 4.13Å; R398-L437 HydrophobicContact CG-CD1 4.1Å; R398-L437 WeakPolarHBondContact O-CD1 3.34Å
399E90.9Very high90.7Very high16 Ų1617.6 Ų17.68%0.0759%0.088CC..Hα-helixtrans-70.6-30.6179.3-72.4-61.7143.400113.4A357 N395 S396 V397 R403 V669 A673A357-E399 HydrophobicContact CB-CB 3.97Å; N395-E399 WeakPolarHBondContact O-CG 3.34Å; N395-E399 PolarHBondContact O-N 3.25Å; S396-E399 PolarHBondContact O-N 3.49Å; V397-E399 VanDerWaalsContact C-N 3.32Å; V397-E399 PolarHBondContact O-N 3.1Å; E399-R403 PolarHBondContact O-NH1 2.85Å; E399-R403 IonicContact OE2-NH1 2.74Å; E399-R403 PolarHBondContact OE2-NH1 3.08Å; E399-V669 HydrophobicContact CG-CG1 4.27Å; E399-A673 HydrophobicContact CG-CB 4.35Å
400I92.4Very high90.5Very high0 Ų022.8 Ų22.80%011%0.108CC..Hα-helixtrans-68.5-50.7171-67164.6000109.6A357 M369 I373 I376 S396 V397 L402 R403 C404A357-I400 HydrophobicContact CB-CG1 4Å; M369-I400 HydrophobicContact CE-CG2 3.56Å; I373-I400 HydrophobicContact CD1-CG2 3.93Å; I373-I400 HydrophobicContact CG1-CG2 4.27Å; I376-I400 HydrophobicContact CD1-CD1 3.79Å; S396-I400 WeakPolarHBondContact O-CG1 3.34Å; S396-I400 PolarHBondContact O-N 2.8Å; V397-I400 PolarHBondContact O-N 3.34Å; V397-I400 VanDerWaalsContact O-N 3.15Å; I400-L402 PolarHBondContact O-N 2.9Å; I400-R403 PolarHBondContact O-N 3.29Å; I400-C404 PolarHBondContact O-N 3.39Å
401C90.8Very high90.4Very high1 Ų128.6 Ų28.61%0.00714%0.139CC..Hα-helixtrans-60.8-29.2179.4-65.90000113.4V397 R398 R403 C404 P405 V408 L437 Y438V397-C401 WeakPolarHBondContact O-CB 3.39Å; V397-C401 PolarHBondContact O-N 2.81Å; V397-C401 PolarHBondContact O-SG 3.34Å; R398-C401 PolarHBondContact O-N 3.21Å; C401-R403 PolarHBondContact O-N 2.94Å; C401-C404 WeakPolarHBondContact CA-O 3.34Å; C401-C404 CarbonylContact O-C 2.96Å; C401-P405 VanDerWaalsContact O-CA 3.3Å; C401-P405 WeakPolarHBondContact O-CA 3.43Å; C401-V408 WeakPolarHBondContact SG-CG2 3.47Å; C401-L437 HydrophobicContact CB-CD2 4.04Å; C401-Y438 HydrophobicContact CB-CE2 4.04Å; C401-Y438 PolarHBondContact SG-OH 3.38Å
402L88.1Confident90.3Very high79 Ų7929.5 Ų29.541%0.41414%0.143SC..Hα-helixtrans-62-31.5175.5-170.7145.6000111.8R398 I400 L437R398-L402 WeakPolarHBondContact O-CB 3.39Å; R398-L402 PolarHBondContact O-N 3.03Å; I400-L402 PolarHBondContact O-N 2.9Å; L402-L437 HydrophobicContact CB-CD1 3.69Å; L402-L437 HydrophobicContact CD1-CD1 4.28Å; L402-L437 HydrophobicContact CG-CD1 4.27Å
403R86.4Confident90.2Very high49 Ų4928.5 Ų28.519%0.18514%0.138CC..Hα-helixtrans-96.7-41-179.2-67.3167.2173.873.58.9112.2A357 S360 E399 I400 C401 N667A357-R403 WeakPolarHBondContact O-CD 3.48Å; A357-R403 PolarHBondContact O-NE 3.3Å; S360-R403 VanDerWaalsContact O-CD 3.25Å; S360-R403 WeakPolarHBondContact O-CD 3.43Å; E399-R403 PolarHBondContact O-NH1 2.85Å; E399-R403 IonicContact OE2-NH1 2.74Å; E399-R403 PolarHBondContact OE2-NH1 3.08Å; I400-R403 PolarHBondContact O-N 3.29Å; C401-R403 PolarHBondContact O-N 2.94Å; R403-N667 PolarHBondContact NH2-O 3.31Å
404C87.3Confident90.1Very high0 Ų030.7 Ų30.70%015%0.153CC..  trans-122.583.9179.9-59.30000109.3H361 I400 C401 Y406 A407H361-C404 PolarHBondContact N-SG 3.07Å; H361-C404 PolarHBondContact O-SG 2.9Å; I400-C404 PolarHBondContact O-N 3.39Å; C401-C404 WeakPolarHBondContact CA-O 3.34Å; C401-C404 CarbonylContact O-C 2.96Å; C404-Y406 VanDerWaalsContact C-N 3.28Å; C404-Y406 HydrophobicContact CB-CE2 4.33Å; C404-Y406 PolarHBondContact O-N 3.35Å; C404-A407 HydrophobicContact CB-CB 4.05Å; C404-A407 VanDerWaalsContact O-CB 3.29Å; C404-A407 WeakPolarHBondContact O-CB 3.29Å; C404-A407 PolarHBondContact O-N 2.86Å
405P84.1Confident90Very high15 Ų1534.6 Ų34.610%0.09717%0.174CC..G310 helixtrans-68-28.1-17525.2-33.7000113.9C401 A407 Y438 I441 I472C401-P405 VanDerWaalsContact O-CA 3.3Å; C401-P405 WeakPolarHBondContact O-CA 3.43Å; P405-A407 PolarHBondContact O-N 3.31Å; P405-Y438 PolarHBondContact O-OH 3.29Å; P405-I441 HydrophobicContact CB-CD1 4.07Å; P405-I441 HydrophobicContact CB-CG2 3.57Å; P405-I441 HydrophobicContact CG-CG2 4.06Å; P405-I472 HydrophobicContact CG-CB 4.19Å; P405-I472 HydrophobicContact CG-CD1 4.32Å; P405-I472 HydrophobicContact CG-CG2 4.24Å
406Y85.9Confident89.9Confident38 Ų3834.2 Ų34.215%0.14917%0.171CC..G310 helixtrans-78.20.8178.453.4-102.2000113.8H361 D362 V364 P366 C404 V408 Y474H361-Y406 PolarHBondContact O-OH 3.47Å; D362-Y406 WeakPolarHBondContact CA-OH 3.27Å; D362-Y406 PolarHBondContact O-OH 3.14Å; V364-Y406 WeakPolarHBondContact O-CE2 3.46Å; V364-Y406 PolarHBondContact O-OH 2.92Å; P366-Y406 HydrophobicContact CB-CD2 3.95Å; P366-Y406 HydrophobicContact CB-CE2 4.46Å; P366-Y406 HydrophobicContact CG-CD2 4.49Å; C404-Y406 VanDerWaalsContact C-N 3.28Å; C404-Y406 HydrophobicContact CB-CE2 4.33Å; C404-Y406 PolarHBondContact O-N 3.35Å; Y406-V408 VanDerWaalsContact C-N 3.25Å; Y406-V408 PolarHBondContact O-N 3.49Å; Y406-Y474 HydrophobicContact CE2-CD2 4.2Å; Y406-Y474 AromaticContact CZ-CD2 3.99Å
407A86.6Confident89.8Confident2 Ų234.6 Ų34.62%0.01717%0.174CC..G310 helixtrans-74.5-11.3-177.100000114.4M369 I373 C404 P405M369-A407 HydrophobicContact CB-CB 3.68Å; I373-A407 HydrophobicContact CD1-CB 3.48Å; I373-A407 VanDerWaalsContact CD1-CB 3.48Å; C404-A407 HydrophobicContact CB-CB 4.05Å; C404-A407 VanDerWaalsContact O-CB 3.29Å; C404-A407 WeakPolarHBondContact O-CB 3.29Å; C404-A407 PolarHBondContact O-N 2.86Å; P405-A407 PolarHBondContact O-N 3.31Å
408V87.8Confident89.7Confident8 Ų840.4 Ų40.45%0.04820%0.2CC..SBendtrans-117.9128.2-174.3-175.10000110.1I373 V397 C401 Y406 L412 L413I373-V408 HydrophobicContact CD1-CG2 3.5Å; I373-V408 HydrophobicContact CG2-CG2 4.26Å; V397-V408 HydrophobicContact CG1-CG2 4.49Å; C401-V408 WeakPolarHBondContact SG-CG2 3.47Å; Y406-V408 VanDerWaalsContact C-N 3.25Å; Y406-V408 PolarHBondContact O-N 3.49Å; V408-L412 HydrophobicContact CG1-CB 4.09Å; V408-L412 HydrophobicContact CG1-CD2 4.31Å; V408-L412 HydrophobicContact CG1-CG 4.21Å; V408-L413 HydrophobicContact CG1-CB 3.79Å
409T88.5Confident89.8Confident45 Ų4539 Ų3928%0.27620%0.195SC..  trans-73.5155.3172.5560000111.2E370 D411 L412 L413E370-T409 HydrophobicContact CG-CG2 4.37Å; E370-T409 WeakPolarHBondContact OE1-CG2 3.34Å; T409-D411 PolarHBondContact O-N 3.42Å; T409-L412 PolarHBondContact O-N 3.5Å; T409-L412 WeakPolarHBondContact OG1-CB 3.34Å; T409-L413 PolarHBondContact O-N 2.95Å
410K87.7Confident89.8Confident125 Ų12543.3 Ų43.354%0.54321%0.211SC..Hα-helixtrans-55.3-40.7-179.6-172.7176.6179.4175.60112.8L413 S414 L445K410-L413 PolarHBondContact O-N 3.25Å; K410-S414 PolarHBondContact O-N 3.34Å; K410-L445 HydrophobicContact CB-CD1 3.75Å; K410-L445 HydrophobicContact CG-CD1 4.2Å
411D90.7Very high89.7Confident123 Ų12348.5 Ų48.566%0.65825%0.247SC*.Hα-helixtrans-67.8-48.4-178.8-59.8-24000111T409 L413 S414 D415T409-D411 PolarHBondContact O-N 3.42Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 3.22Å; D411-S414 WeakPolarHBondContact O-CB 3.47Å; D411-S414 PolarHBondContact O-N 2.81Å; D411-S414 VanDerWaalsContact O-N 3.11Å; D411-D415 PolarHBondContact O-N 2.74Å
412L91.8Very high89.7Confident19 Ų1951.8 Ų51.810%0.09926%0.26CS..Hα-helixtrans-61.8-39.5177-174.360.8000111.3I373 A377 V408 T409 S414 D415 L416I373-L412 HydrophobicContact CG2-CD2 3.78Å; A377-L412 HydrophobicContact CB-CD1 4.05Å; V408-L412 HydrophobicContact CG1-CB 4.09Å; V408-L412 HydrophobicContact CG1-CD2 4.31Å; V408-L412 HydrophobicContact CG1-CG 4.21Å; T409-L412 PolarHBondContact O-N 3.5Å; T409-L412 WeakPolarHBondContact OG1-CB 3.34Å; L412-S414 VanDerWaalsContact C-N 3.34Å; L412-S414 PolarHBondContact O-N 2.9Å; L412-D415 PolarHBondContact O-N 3.05Å; L412-L416 VanDerWaalsContact O-CG 3.27Å; L412-L416 WeakPolarHBondContact O-CG 3.2Å; L412-L416 PolarHBondContact O-N 3.08Å
413L92Very high89.8Confident0 Ų059.4 Ų59.40%028%0.283CS..Hα-helixtrans-61.9-42.9175.4-17761.1000111.6V408 T409 K410 D411 D415 L416 I417 I434 Y438 L445 L446V408-L413 HydrophobicContact CG1-CB 3.79Å; T409-L413 PolarHBondContact O-N 2.95Å; K410-L413 PolarHBondContact O-N 3.25Å; D411-L413 VanDerWaalsContact C-N 3.29Å; D411-L413 PolarHBondContact O-N 3.22Å; L413-D415 VanDerWaalsContact C-N 3.3Å; L413-D415 PolarHBondContact O-N 3.49Å; L413-L416 PolarHBondContact O-N 3.16Å; L413-I417 HydrophobicContact CD1-CD1 4.06Å; L413-I417 HydrophobicContact CD1-CG1 4.35Å; L413-I417 HydrophobicContact CD2-CD1 4.45Å; L413-I417 HydrophobicContact CG-CD1 3.77Å; L413-I417 HydrophobicContact CG-CG1 4.48Å; L413-I417 WeakPolarHBondContact O-CB 3.37Å; L413-I417 WeakPolarHBondContact O-CD1 3.5Å; L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 2.8Å; L413-I417 VanDerWaalsContact O-N 3.08Å; L413-I434 HydrophobicContact CD1-CG2 3.66Å; L413-Y438 HydrophobicContact CD1-CD2 3.75Å; L413-Y438 HydrophobicContact CD1-CE2 3.76Å; L413-Y438 HydrophobicContact CD1-CG 4.42Å; L413-Y438 HydrophobicContact CD2-CD1 4.02Å; L413-Y438 HydrophobicContact CD2-CD2 4.07Å; L413-Y438 HydrophobicContact CD2-CE1 4.3Å; L413-Y438 HydrophobicContact CD2-CE2 4.32Å; L413-Y438 HydrophobicContact CD2-CG 3.92Å; L413-L445 HydrophobicContact CD2-CB 4.01Å; L413-L445 HydrophobicContact CD2-CD2 3.68Å; L413-L445 HydrophobicContact CD2-CG 3.66Å; L413-L446 HydrophobicContact CD2-CD2 3.98Å; L413-L446 HydrophobicContact CG-CD2 4.47Å
414S90.9Very high89.9Confident45 Ų4560 Ų6032%0.31529%0.29SS..Hα-helixtrans-57.6-43.6175.7-1760000111.4K410 D411 L412 I417 Q418K410-S414 PolarHBondContact O-N 3.34Å; D411-S414 WeakPolarHBondContact O-CB 3.47Å; D411-S414 PolarHBondContact O-N 2.81Å; D411-S414 VanDerWaalsContact O-N 3.11Å; L412-S414 VanDerWaalsContact C-N 3.34Å; L412-S414 PolarHBondContact O-N 2.9Å; S414-I417 PolarHBondContact O-N 3.28Å; S414-Q418 WeakPolarHBondContact O-CG 3.39Å; S414-Q418 PolarHBondContact O-N 3.36Å
415D92.4Very high90Very high83 Ų8365 Ų6544%0.44431%0.312SS..Hα-helixtrans-65.1-43.9178.3-68.8-14.3000112.6D411 L412 L413 I417 Q418D411-D415 PolarHBondContact O-N 2.74Å; L412-D415 PolarHBondContact O-N 3.05Å; L413-D415 VanDerWaalsContact C-N 3.3Å; L413-D415 PolarHBondContact O-N 3.49Å; D415-I417 PolarHBondContact O-N 2.68Å; D415-Q418 WeakPolarHBondContact O-CB 2.97Å; D415-Q418 PolarHBondContact O-N 3.25Å; D415-Q418 PolarHBondContact OD1-NE2 3.35Å
416L93.3Very high90.3Very high4 Ų466 Ų662%0.02132%0.316CS..Hα-helixtrans-61.8-33.3176.7-64.2174.9000112.5I381 L394 V397 L412 L413 Q418I381-L416 HydrophobicContact CD1-CD2 3.44Å; I381-L416 VanDerWaalsContact CD1-CD2 3.44Å; I381-L416 HydrophobicContact CG2-CD2 4.16Å; L394-L416 HydrophobicContact CD2-CB 4.26Å; L394-L416 HydrophobicContact CD2-CD2 3.86Å; V397-L416 HydrophobicContact CG1-CD1 3.82Å; L412-L416 VanDerWaalsContact O-CG 3.27Å; L412-L416 WeakPolarHBondContact O-CG 3.2Å; L412-L416 PolarHBondContact O-N 3.08Å; L413-L416 PolarHBondContact O-N 3.16Å; L416-Q418 VanDerWaalsContact C-N 3.34Å
417I92.2Very high90.6Very high9 Ų964.1 Ų64.15%0.04631%0.309CS..Hα-helixtrans-71.3-27.9-179.7-73.5170000112.3L413 S414 D415 Y419 R420 I435 L446 E450L413-I417 HydrophobicContact CD1-CD1 4.06Å; L413-I417 HydrophobicContact CD1-CG1 4.35Å; L413-I417 HydrophobicContact CD2-CD1 4.45Å; L413-I417 HydrophobicContact CG-CD1 3.77Å; L413-I417 HydrophobicContact CG-CG1 4.48Å; L413-I417 WeakPolarHBondContact O-CB 3.37Å; L413-I417 WeakPolarHBondContact O-CD1 3.5Å; L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 2.8Å; L413-I417 VanDerWaalsContact O-N 3.08Å; S414-I417 PolarHBondContact O-N 3.28Å; D415-I417 PolarHBondContact O-N 2.68Å; I417-Y419 PolarHBondContact O-N 3.37Å; I417-Y419 VanDerWaalsContact O-N 3.1Å; I417-R420 VanDerWaalsContact O-CB 3.22Å; I417-R420 WeakPolarHBondContact O-CB 3.24Å; I417-R420 PolarHBondContact O-N 3.45Å; I417-I435 HydrophobicContact CD1-CG1 4.26Å; I417-I435 HydrophobicContact CG1-CD1 4.42Å; I417-I435 HydrophobicContact CG1-CG1 3.81Å; I417-I435 HydrophobicContact CG2-CD1 3.97Å; I417-I435 HydrophobicContact CG2-CG1 4.23Å; I417-L446 HydrophobicContact CD1-CD2 3.3Å; I417-E450 HydrophobicContact CG2-CG 3.84Å
418Q92.1Very high90.9Very high122 Ų12264.9 Ų64.957%0.5731%0.314SS*.Hα-helixtrans-57.8-28.2179.6-66175.52800112.4S414 D415 L416 R420 S421S414-Q418 WeakPolarHBondContact O-CG 3.39Å; S414-Q418 PolarHBondContact O-N 3.36Å; D415-Q418 WeakPolarHBondContact O-CB 2.97Å; D415-Q418 PolarHBondContact O-N 3.25Å; D415-Q418 PolarHBondContact OD1-NE2 3.35Å; L416-Q418 VanDerWaalsContact C-N 3.34Å; Q418-R420 PolarHBondContact O-N 3.42Å; Q418-S421 PolarHBondContact O-N 3.35Å; Q418-S421 PolarHBondContact O-OG 2.88Å
419Y93.2Very high91.1Very high35 Ų3566 Ų6614%0.13732%0.324CS..G310 helixtrans-65.9-1.7175.7-73.2-84.3000114.8I381 I390 L394 I417 S421 Y422 V427I381-Y419 HydrophobicContact CG2-CD2 3.99Å; I381-Y419 HydrophobicContact CG2-CE2 3.38Å; I381-Y419 PolarHBondContact O-OH 2.96Å; I390-Y419 HydrophobicContact CD1-CE1 4.47Å; I390-Y419 HydrophobicContact CG2-CD1 4.07Å; I390-Y419 HydrophobicContact CG2-CE1 3.98Å; L394-Y419 HydrophobicContact CD1-CG 4.37Å; I417-Y419 PolarHBondContact O-N 3.37Å; I417-Y419 VanDerWaalsContact O-N 3.1Å; Y419-S421 PolarHBondContact O-N 2.86Å; Y419-Y422 AromaticContact CD1-CD2 3.91Å; Y419-Y422 HydrophobicContact CD1-CD2 3.91Å; Y419-Y422 HydrophobicContact CD1-CE2 4.44Å; Y419-Y422 HydrophobicContact CD1-CG 4.2Å; Y419-Y422 HydrophobicContact CE1-CD2 4.21Å; Y419-Y422 HydrophobicContact CE1-CE2 4.32Å; Y419-Y422 VanDerWaalsContact O-CB 3.29Å; Y419-Y422 WeakPolarHBondContact O-CB 3.29Å; Y419-Y422 PolarHBondContact O-N 2.84Å; Y419-V427 HydrophobicContact CD1-CG1 3.77Å; Y419-V427 HydrophobicContact CG-CG1 4.22Å
420R91.2Very high91.3Very high107 Ų10764 Ų6440%0.40431%0.311SS..G310 helixtrans-58.9-30.3172.7-171-170.386.4162.43.2113.5I417 Q418 V428 R432 I435 E450I417-R420 VanDerWaalsContact O-CB 3.22Å; I417-R420 WeakPolarHBondContact O-CB 3.24Å; I417-R420 PolarHBondContact O-N 3.45Å; Q418-R420 PolarHBondContact O-N 3.42Å; R420-V428 VanDerWaalsContact O-CG1 3.24Å; R420-V428 WeakPolarHBondContact O-CG1 3.44Å; R420-V428 WeakPolarHBondContact O-CG2 3.31Å; R420-R432 HydrophobicContact CG-CG 4.01Å; R420-I435 HydrophobicContact CB-CD1 4.42Å; R420-I435 HydrophobicContact CG-CD1 4.24Å; R420-E450 IonicContact CZ-OE1 3.88Å; R420-E450 IonicContact CZ-OE2 3.58Å; R420-E450 IonicContact NE-OE1 3.88Å; R420-E450 IonicContact NH1-OE1 3.92Å; R420-E450 PolarHBondContact NH1-OE1 3.43Å; R420-E450 IonicContact NH1-OE2 3.32Å; R420-E450 PolarHBondContact NH1-OE2 3.33Å; R420-E450 IonicContact NH2-OE1 3.58Å
421S90.4Very high91.5Very high109 Ų10958 Ų5876%0.76229%0.285SS*.G310 helixtrans-103.516.8179.449.50000113.4Q418 Y419Q418-S421 PolarHBondContact O-N 3.35Å; Q418-S421 PolarHBondContact O-OG 2.88Å; Y419-S421 PolarHBondContact O-N 2.86Å
422Y91.6Very high91.6Very high71 Ų7159.3 Ų59.328%0.27828%0.281SS..  trans-67.9151.8-179.7-163.3-105.5000112.5Y419 N424 V427 V428Y419-Y422 AromaticContact CD1-CD2 3.91Å; Y419-Y422 HydrophobicContact CD1-CD2 3.91Å; Y419-Y422 HydrophobicContact CD1-CE2 4.44Å; Y419-Y422 HydrophobicContact CD1-CG 4.2Å; Y419-Y422 HydrophobicContact CE1-CD2 4.21Å; Y419-Y422 HydrophobicContact CE1-CE2 4.32Å; Y419-Y422 VanDerWaalsContact O-CB 3.29Å; Y419-Y422 WeakPolarHBondContact O-CB 3.29Å; Y419-Y422 PolarHBondContact O-N 2.84Å; Y422-N424 VanDerWaalsContact C-N 3.27Å; Y422-N424 HydrophobicContact CD1-CB 3.89Å; Y422-N424 HydrophobicContact CE1-CB 4Å; Y422-N424 PolarHBondContact O-N 3.42Å; Y422-V427 HydrophobicContact CD1-CB 3.69Å; Y422-V427 HydrophobicContact CD1-CG1 3.67Å; Y422-V427 HydrophobicContact CD1-CG2 3.88Å; Y422-V427 HydrophobicContact CE1-CB 4.38Å; Y422-V427 HydrophobicContact CE1-CG1 4.41Å; Y422-V427 HydrophobicContact CE1-CG2 4.07Å; Y422-V427 HydrophobicContact CG-CB 4.32Å; Y422-V427 HydrophobicContact CG-CG1 3.86Å; Y422-V428 WeakPolarHBondContact O-CG2 3.4Å
423R89.2Confident91.5Very high238 Ų23859.6 Ų59.690%0.89829%0.285SS*.SBendtrans-59-36.6-177.2-175.3177.3179.1173.20.9113
424N89.6Confident91.5Very high61 Ų6159.7 Ų59.733%0.32629%0.285SS..SBendtrans-87.4123.9-175.8-73.5-50.6000112.5S387 Y422 N426 V427 V428S387-N424 WeakPolarHBondContact CB-ND2 3.45Å; Y422-N424 VanDerWaalsContact C-N 3.27Å; Y422-N424 HydrophobicContact CD1-CB 3.89Å; Y422-N424 HydrophobicContact CE1-CB 4Å; Y422-N424 PolarHBondContact O-N 3.42Å; N424-N426 VanDerWaalsContact C-N 3.27Å; N424-N426 PolarHBondContact O-N 3.29Å; N424-V427 HydrophobicContact CB-CG2 4.21Å; N424-V427 PolarHBondContact O-N 3.49Å; N424-V427 VanDerWaalsContact O-N 3.17Å; N424-V428 WeakPolarHBondContact O-CG2 3.33Å; N424-V428 PolarHBondContact O-N 2.98Å; N424-V428 VanDerWaalsContact O-N 3.11Å
425K89.5Confident91.5Very high106 Ų10657.8 Ų57.846%0.46127%0.271SS..Hα-helixtrans-60.8-31-177.3-67.6-176.4174.8-1620113.9A429 K679K425-A429 WeakPolarHBondContact O-CB 3.27Å; K425-A429 PolarHBondContact O-N 3.25Å; K425-K679 HydrophobicContact CB-CD 4.38Å; K425-K679 HydrophobicContact CD-CD 3.76Å
426N89.5Confident91.3Very high35 Ų3561.4 Ų61.419%0.18728%0.279CS..Hα-helixtrans-66.8-43.5177.7-65.7-25.5000111.7A391 N424 A429 A430 L677 V678 K679A391-N426 HydrophobicContact CB-CB 4.25Å; N424-N426 VanDerWaalsContact C-N 3.27Å; N424-N426 PolarHBondContact O-N 3.29Å; N426-A429 PolarHBondContact O-N 3.17Å; N426-A430 PolarHBondContact O-N 2.92Å; N426-L677 HydrophobicContact CB-CD2 4.42Å; N426-V678 PolarHBondContact OD1-N 3.32Å; N426-K679 PolarHBondContact OD1-N 3.4Å; N426-K679 VanDerWaalsContact OD1-N 3.09Å
427V92.8Very high90.9Very high0 Ų061.7 Ų61.70%028%0.28CS..Hα-helixtrans-64.9-45.5176.21740000110.4S387 I390 A391 L394 Y419 Y422 N424 A429 A430 A431S387-V427 WeakPolarHBondContact O-CG2 3.41Å; I390-V427 HydrophobicContact CB-CG2 4.09Å; I390-V427 HydrophobicContact CG2-CB 4.47Å; I390-V427 HydrophobicContact CG2-CG1 3.72Å; I390-V427 HydrophobicContact CG2-CG2 3.93Å; A391-V427 HydrophobicContact CB-CG2 4.16Å; L394-V427 HydrophobicContact CD1-CG1 3.83Å; Y419-V427 HydrophobicContact CD1-CG1 3.77Å; Y419-V427 HydrophobicContact CG-CG1 4.22Å; Y422-V427 HydrophobicContact CD1-CB 3.69Å; Y422-V427 HydrophobicContact CD1-CG1 3.67Å; Y422-V427 HydrophobicContact CD1-CG2 3.88Å; Y422-V427 HydrophobicContact CE1-CB 4.38Å; Y422-V427 HydrophobicContact CE1-CG1 4.41Å; Y422-V427 HydrophobicContact CE1-CG2 4.07Å; Y422-V427 HydrophobicContact CG-CB 4.32Å; Y422-V427 HydrophobicContact CG-CG1 3.86Å; N424-V427 HydrophobicContact CB-CG2 4.21Å; N424-V427 PolarHBondContact O-N 3.49Å; N424-V427 VanDerWaalsContact O-N 3.17Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 3.31Å; V427-A430 WeakPolarHBondContact O-CB 3.25Å; V427-A430 PolarHBondContact O-N 2.98Å; V427-A430 VanDerWaalsContact O-N 3.16Å; V427-A431 PolarHBondContact O-N 2.97Å
428V92.9Very high90.7Very high18 Ų1861.3 Ų61.311%0.10928%0.278CS..Hα-helixtrans-58.3-43.1175.9170.80000111.6R420 Y422 N424 R432R420-V428 VanDerWaalsContact O-CG1 3.24Å; R420-V428 WeakPolarHBondContact O-CG1 3.44Å; R420-V428 WeakPolarHBondContact O-CG2 3.31Å; Y422-V428 WeakPolarHBondContact O-CG2 3.4Å; N424-V428 WeakPolarHBondContact O-CG2 3.33Å; N424-V428 PolarHBondContact O-N 2.98Å; N424-V428 VanDerWaalsContact O-N 3.11Å; V428-R432 HydrophobicContact CG1-CG 4.37Å; V428-R432 VanDerWaalsContact CG1-NE 3.33Å; V428-R432 WeakPolarHBondContact O-CB 3.42Å; V428-R432 VanDerWaalsContact O-CG 3.22Å; V428-R432 WeakPolarHBondContact O-CG 3.34Å; V428-R432 PolarHBondContact O-N 3.22Å
429A91.3Very high90.4Very high32 Ų3259.3 Ų59.326%0.26427%0.265SS..Hα-helixtrans-65-40.8177.600000112.2K425 N426 V427 R432 S433 V678K425-A429 WeakPolarHBondContact O-CB 3.27Å; K425-A429 PolarHBondContact O-N 3.25Å; N426-A429 PolarHBondContact O-N 3.17Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 3.31Å; A429-R432 PolarHBondContact O-N 3.15Å; A429-S433 WeakPolarHBondContact O-CB 3.06Å; A429-S433 PolarHBondContact O-N 3.07Å; A429-V678 HydrophobicContact CB-CB 4.29Å; A429-V678 HydrophobicContact CB-CG2 3.52Å
430A92.2Very high89.5Confident1 Ų162.4 Ų62.41%0.00828%0.281CS..Hα-helixtrans-63-49175.700000111.4L394 N395 N426 V427 R432 S433 I434L394-A430 HydrophobicContact CB-CB 3.58Å; L394-A430 HydrophobicContact CD1-CB 4.1Å; N395-A430 VanDerWaalsContact OD1-CB 3.23Å; N395-A430 WeakPolarHBondContact OD1-CB 3.44Å; N426-A430 PolarHBondContact O-N 2.92Å; V427-A430 WeakPolarHBondContact O-CB 3.25Å; V427-A430 PolarHBondContact O-N 2.98Å; V427-A430 VanDerWaalsContact O-N 3.16Å; A430-R432 PolarHBondContact O-N 3.39Å; A430-S433 WeakPolarHBondContact O-CB 3.42Å; A430-S433 PolarHBondContact O-N 3.43Å; A430-S433 VanDerWaalsContact O-N 3.07Å; A430-S433 PolarHBondContact O-OG 3.17Å; A430-I434 PolarHBondContact O-N 3.18Å
431A93.6Very high88.8Confident0 Ų059 Ų590%027%0.27CS..Hα-helixtrans-59.8-45.4176.300000112.2L394 V427 S433 I434 I435L394-A431 HydrophobicContact CD1-CB 4.38Å; V427-A431 PolarHBondContact O-N 2.97Å; A431-S433 PolarHBondContact O-N 3.44Å; A431-I434 PolarHBondContact O-N 3.09Å; A431-I434 VanDerWaalsContact O-N 3.17Å; A431-I435 WeakPolarHBondContact O-CG1 2.89Å; A431-I435 PolarHBondContact O-N 3.44Å; A431-I435 VanDerWaalsContact O-N 3.16Å
432R91.7Very high88.2Confident150 Ų15054.7 Ų54.757%0.56624%0.239SC*.Hα-helixtrans-61.4-30.6175.2-73.4176.5-175.2-174.32.1112.9R420 V428 A429 A430 I435 R436R420-R432 HydrophobicContact CG-CG 4.01Å; V428-R432 HydrophobicContact CG1-CG 4.37Å; V428-R432 VanDerWaalsContact CG1-NE 3.33Å; V428-R432 WeakPolarHBondContact O-CB 3.42Å; V428-R432 VanDerWaalsContact O-CG 3.22Å; V428-R432 WeakPolarHBondContact O-CG 3.34Å; V428-R432 PolarHBondContact O-N 3.22Å; A429-R432 PolarHBondContact O-N 3.15Å; A430-R432 PolarHBondContact O-N 3.39Å; R432-I435 PolarHBondContact O-N 3.05Å; R432-R436 PolarHBondContact O-N 3.14Å
433S90.1Very high87.7Confident26 Ų2652.1 Ų52.118%0.18223%0.231CC..Hα-helixtrans-69.4-34.7177.580.90000112.6R398 A429 A430 A431 R436 L437R398-S433 WeakPolarHBondContact CD-OG 3.35Å; A429-S433 WeakPolarHBondContact O-CB 3.06Å; A429-S433 PolarHBondContact O-N 3.07Å; A430-S433 WeakPolarHBondContact O-CB 3.42Å; A430-S433 PolarHBondContact O-N 3.43Å; A430-S433 VanDerWaalsContact O-N 3.07Å; A430-S433 PolarHBondContact O-OG 3.17Å; A431-S433 PolarHBondContact O-N 3.44Å; S433-R436 PolarHBondContact O-N 3.06Å; S433-L437 WeakPolarHBondContact O-CB 3.48Å; S433-L437 PolarHBondContact O-N 3.01Å; S433-L437 VanDerWaalsContact O-N 3.11Å
434I91.2Very high87.2Confident1 Ų146.4 Ų46.41%0.00521%0.214CC..Hα-helixtrans-66.7-46.2172.8-63.3170.6000109.8L394 R398 L413 A430 A431 R436 L437 Y438L394-I434 HydrophobicContact CB-CD1 4.38Å; L394-I434 HydrophobicContact CD2-CD1 3.81Å; R398-I434 HydrophobicContact CB-CG1 3.72Å; R398-I434 HydrophobicContact CG-CG1 4.13Å; L413-I434 HydrophobicContact CD1-CG2 3.66Å; A430-I434 PolarHBondContact O-N 3.18Å; A431-I434 PolarHBondContact O-N 3.09Å; A431-I434 VanDerWaalsContact O-N 3.17Å; I434-R436 VanDerWaalsContact C-N 3.3Å; I434-R436 PolarHBondContact O-N 2.91Å; I434-L437 WeakPolarHBondContact O-CB 3.04Å; I434-L437 PolarHBondContact O-N 2.9Å; I434-L437 VanDerWaalsContact O-N 3.11Å; I434-Y438 HydrophobicContact CG2-CD2 3.88Å; I434-Y438 HydrophobicContact CG2-CE2 4.1Å; I434-Y438 PolarHBondContact O-N 3.14Å
435I90.8Very high86.9Confident5 Ų545.1 Ų45.13%0.02621%0.208CC..Hα-helixtrans-56-47.7176-62.3168.2000110.3I417 R420 A431 R432 L437 Y438 R439 L446 E450I417-I435 HydrophobicContact CD1-CG1 4.26Å; I417-I435 HydrophobicContact CG1-CD1 4.42Å; I417-I435 HydrophobicContact CG1-CG1 3.81Å; I417-I435 HydrophobicContact CG2-CD1 3.97Å; I417-I435 HydrophobicContact CG2-CG1 4.23Å; R420-I435 HydrophobicContact CB-CD1 4.42Å; R420-I435 HydrophobicContact CG-CD1 4.24Å; A431-I435 WeakPolarHBondContact O-CG1 2.89Å; A431-I435 PolarHBondContact O-N 3.44Å; A431-I435 VanDerWaalsContact O-N 3.16Å; R432-I435 PolarHBondContact O-N 3.05Å; I435-L437 VanDerWaalsContact C-N 3.28Å; I435-L437 PolarHBondContact O-N 3.5Å; I435-Y438 PolarHBondContact O-N 3.39Å; I435-R439 HydrophobicContact CG2-CG 4.42Å; I435-R439 VanDerWaalsContact O-CG 3.28Å; I435-R439 WeakPolarHBondContact O-CG 3.25Å; I435-R439 PolarHBondContact O-N 2.89Å; I435-L446 HydrophobicContact CG2-CD1 4.49Å; I435-E450 HydrophobicContact CG2-CB 4.35Å
436R88.4Confident86.8Confident159 Ų15940.4 Ų40.460%0.619%0.187SC*.Hα-helixtrans-60.2-37.9178.7-177.2176.4179.2166.21.7112.6R432 S433 I434 Q440R432-R436 PolarHBondContact O-N 3.14Å; S433-R436 PolarHBondContact O-N 3.06Å; I434-R436 VanDerWaalsContact C-N 3.3Å; I434-R436 PolarHBondContact O-N 2.91Å; R436-Q440 PolarHBondContact O-N 2.98Å
437L86.5Confident86.6Confident10 Ų1040.7 Ų40.75%0.05219%0.191CC..Hα-helixtrans-66.1-51.1178.2178.2152.9000111R398 C401 L402 S433 I434 I435 R439 Q440 I441R398-L437 HydrophobicContact CG-CD1 4.1Å; R398-L437 WeakPolarHBondContact O-CD1 3.34Å; C401-L437 HydrophobicContact CB-CD2 4.04Å; L402-L437 HydrophobicContact CB-CD1 3.69Å; L402-L437 HydrophobicContact CD1-CD1 4.28Å; L402-L437 HydrophobicContact CG-CD1 4.27Å; S433-L437 WeakPolarHBondContact O-CB 3.48Å; S433-L437 PolarHBondContact O-N 3.01Å; S433-L437 VanDerWaalsContact O-N 3.11Å; I434-L437 WeakPolarHBondContact O-CB 3.04Å; I434-L437 PolarHBondContact O-N 2.9Å; I434-L437 VanDerWaalsContact O-N 3.11Å; I435-L437 VanDerWaalsContact C-N 3.28Å; I435-L437 PolarHBondContact O-N 3.5Å; L437-R439 VanDerWaalsContact C-N 3.29Å; L437-R439 PolarHBondContact O-N 3.05Å; L437-Q440 WeakPolarHBondContact O-CB 3.26Å; L437-Q440 PolarHBondContact O-N 3.49Å; L437-I441 HydrophobicContact CD2-CD1 3.52Å; L437-I441 HydrophobicContact CD2-CG1 4.37Å; L437-I441 HydrophobicContact CG-CD1 3.89Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 3.18Å
438Y87.1Confident86.1Confident2 Ų252.2 Ų52.21%0.00823%0.234CC..Hα-helixtrans-68.7-26179.2-82-83.5000113C401 P405 L413 I434 I435 Q440 I441 N442 L445C401-Y438 HydrophobicContact CB-CE2 4.04Å; C401-Y438 PolarHBondContact SG-OH 3.38Å; P405-Y438 PolarHBondContact O-OH 3.29Å; L413-Y438 HydrophobicContact CD1-CD2 3.75Å; L413-Y438 HydrophobicContact CD1-CE2 3.76Å; L413-Y438 HydrophobicContact CD1-CG 4.42Å; L413-Y438 HydrophobicContact CD2-CD1 4.02Å; L413-Y438 HydrophobicContact CD2-CD2 4.07Å; L413-Y438 HydrophobicContact CD2-CE1 4.3Å; L413-Y438 HydrophobicContact CD2-CE2 4.32Å; L413-Y438 HydrophobicContact CD2-CG 3.92Å; I434-Y438 HydrophobicContact CG2-CD2 3.88Å; I434-Y438 HydrophobicContact CG2-CE2 4.1Å; I434-Y438 PolarHBondContact O-N 3.14Å; I435-Y438 PolarHBondContact O-N 3.39Å; Y438-Q440 PolarHBondContact O-N 2.92Å; Y438-I441 PolarHBondContact O-N 3.4Å; Y438-N442 CarbonylContact O-C 3.59Å; Y438-N442 PolarHBondContact O-N 3.48Å; Y438-L445 HydrophobicContact CD1-CB 4.41Å; Y438-L445 HydrophobicContact CD1-CD2 3.96Å; Y438-L445 HydrophobicContact CE1-CD2 3.52Å
439R84.9Confident85.7Confident79 Ų7960.5 Ų60.530%0.29827%0.269SS..Hα-helixtrans-62.2-25.2168.2-74.9179.7-173.9175.53.2113.7I435 L437 L446 E450 C451 Q458I435-R439 HydrophobicContact CG2-CG 4.42Å; I435-R439 VanDerWaalsContact O-CG 3.28Å; I435-R439 WeakPolarHBondContact O-CG 3.25Å; I435-R439 PolarHBondContact O-N 2.89Å; L437-R439 VanDerWaalsContact C-N 3.29Å; L437-R439 PolarHBondContact O-N 3.05Å; R439-L446 HydrophobicContact CB-CD1 4.45Å; R439-L446 HydrophobicContact CG-CD1 3.64Å; R439-E450 PolarHBondContact NE-O 3.15Å; R439-E450 PolarHBondContact NH2-O 3.19Å; R439-C451 WeakPolarHBondContact CD-O 3.5Å; R439-C451 WeakPolarHBondContact CG-O 3.43Å; R439-C451 PolarHBondContact NE-O 3.41Å; R439-Q458 PolarHBondContact O-NE2 2.99Å
440Q76.2Confident85.3Confident101 Ų10160 Ų6047%0.47226%0.261SS..Hα-helixtrans-89.4-41.4177.7-71.5174.9-20.900112R436 L437 Y438R436-Q440 PolarHBondContact O-N 2.98Å; L437-Q440 WeakPolarHBondContact O-CB 3.26Å; L437-Q440 PolarHBondContact O-N 3.49Å; Y438-Q440 PolarHBondContact O-N 2.92Å
441I76.5Confident84.5Confident34 Ų3461.3 Ų61.317%0.17427%0.27CS..Hα-helixtrans-86.6-59.7-172-59.7-177.7000111.5P405 L437 Y438 I472P405-I441 HydrophobicContact CB-CD1 4.07Å; P405-I441 HydrophobicContact CB-CG2 3.57Å; P405-I441 HydrophobicContact CG-CG2 4.06Å; L437-I441 HydrophobicContact CD2-CD1 3.52Å; L437-I441 HydrophobicContact CD2-CG1 4.37Å; L437-I441 HydrophobicContact CG-CD1 3.89Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 3.18Å; Y438-I441 PolarHBondContact O-N 3.4Å; I441-I472 HydrophobicContact CG2-CD1 3.57Å; I441-I472 HydrophobicContact CG2-CG1 4.37Å
442N76.7Confident83.5Confident20 Ų2063.3 Ų63.311%0.10729%0.29CS..  trans-14993.9-176.7-174.6-3000110.1Y438 E444 A471Y438-N442 CarbonylContact O-C 3.59Å; Y438-N442 PolarHBondContact O-N 3.48Å; N442-E444 PolarHBondContact O-N 3.25Å; N442-E444 WeakPolarHBondContact OD1-CB 3.47Å; N442-E444 PolarHBondContact OD1-N 3.18Å; N442-E444 VanDerWaalsContact OD1-N 3.16Å; N442-A471 WeakPolarHBondContact ND2-CA 3.5Å; N442-A471 WeakPolarHBondContact ND2-CB 3Å
443P80.4Confident82.5Confident16 Ų1665.1 Ų65.110%0.10430%0.297CS..THydrogen-bonded Turntrans-71.2-13.5-177.330.2-36.6000113.8L446 C451 L454 I462P443-L446 WeakPolarHBondContact O-CB 3.35Å; P443-L446 PolarHBondContact O-N 2.94Å; P443-C451 PolarHBondContact O-SG 3.13Å; P443-L454 HydrophobicContact CB-CD2 4.28Å; P443-L454 HydrophobicContact CG-CD2 4.41Å; P443-I462 HydrophobicContact CG-CD1 3.95Å
444E79.6Confident81.3Confident118 Ų11866 Ų6655%0.55130%0.299SS*.THydrogen-bonded Turntrans-74.6-28.5-178.4-55.8-168.1145.300113.1N442 L446N442-E444 PolarHBondContact O-N 3.25Å; N442-E444 WeakPolarHBondContact OD1-CB 3.47Å; N442-E444 PolarHBondContact OD1-N 3.18Å; N442-E444 VanDerWaalsContact OD1-N 3.16Å; E444-L446 PolarHBondContact O-N 2.9Å
445L83.8Confident79.8Confident35 Ų3567.5 Ų67.518%0.18331%0.309CS..SBendtrans-69-21.9176-159.167.3000111.3K410 L413 Y438K410-L445 HydrophobicContact CB-CD1 3.75Å; K410-L445 HydrophobicContact CG-CD1 4.2Å; L413-L445 HydrophobicContact CD2-CB 4.01Å; L413-L445 HydrophobicContact CD2-CD2 3.68Å; L413-L445 HydrophobicContact CD2-CG 3.66Å; Y438-L445 HydrophobicContact CD1-CB 4.41Å; Y438-L445 HydrophobicContact CD1-CD2 3.96Å; Y438-L445 HydrophobicContact CE1-CD2 3.52Å
446L86.4Confident78.4Confident6 Ų671.5 Ų71.53%0.03133%0.328CS..SBendtrans-78.2144.9176.4-67.5171.9000111.5L413 I417 I435 R439 P443 E444L413-L446 HydrophobicContact CD2-CD2 3.98Å; L413-L446 HydrophobicContact CG-CD2 4.47Å; I417-L446 HydrophobicContact CD1-CD2 3.3Å; I435-L446 HydrophobicContact CG2-CD1 4.49Å; R439-L446 HydrophobicContact CB-CD1 4.45Å; R439-L446 HydrophobicContact CG-CD1 3.64Å; P443-L446 WeakPolarHBondContact O-CB 3.35Å; P443-L446 PolarHBondContact O-N 2.94Å; E444-L446 PolarHBondContact O-N 2.9Å
447P84.8Confident77Confident41 Ų4166 Ų6627%0.26631%0.314SS..  trans-57.2142.5166-22.332.8000110.8K449 E450 C451P447-K449 PolarHBondContact O-N 3.37Å; P447-E450 PolarHBondContact O-N 3.06Å; P447-C451 PolarHBondContact O-N 2.93Å; P447-C451 PolarHBondContact O-SG 3.01Å
448R82.2Confident75.8Confident242 Ų24267 Ų6791%0.91332%0.318SS*.THydrogen-bonded Turntrans-49.3-33.1-179.1-70.7-175.7176.4178-0.9114.2E450R448-E450 PolarHBondContact O-N 3.22Å
449K84.6Confident74.7Confident192 Ų19269.6 Ų69.684%0.83533%0.331SS*.THydrogen-bonded Turntrans-62-31176.8-63.2-178.8-178.8177.90112.9P447P447-K449 PolarHBondContact O-N 3.37Å
450E83.3Confident73.6Confident22 Ų2267.6 Ų67.610%0.10333%0.327CS..THydrogen-bonded Turntrans-104.8-10.7-171.3-60.7-61.9158.900113.6I417 R420 I435 R439 P447 R448 G452I417-E450 HydrophobicContact CG2-CG 3.84Å; R420-E450 IonicContact CZ-OE1 3.88Å; R420-E450 IonicContact CZ-OE2 3.58Å; R420-E450 IonicContact NE-OE1 3.88Å; R420-E450 IonicContact NH1-OE1 3.92Å; R420-E450 PolarHBondContact NH1-OE1 3.43Å; R420-E450 IonicContact NH1-OE2 3.32Å; R420-E450 PolarHBondContact NH1-OE2 3.33Å; R420-E450 IonicContact NH2-OE1 3.58Å; I435-E450 HydrophobicContact CG2-CB 4.35Å; R439-E450 PolarHBondContact NE-O 3.15Å; R439-E450 PolarHBondContact NH2-O 3.19Å; P447-E450 PolarHBondContact O-N 3.06Å; R448-E450 PolarHBondContact O-N 3.22Å; E450-G452 PolarHBondContact O-N 2.86Å
451C75.7Confident72.8Confident29 Ų2965.4 Ų65.420%0.19632%0.32CS..SBendtrans-56.4-33.2175.5-57.90000111.7R439 P443 P447R439-C451 WeakPolarHBondContact CD-O 3.5Å; R439-C451 WeakPolarHBondContact CG-O 3.43Å; R439-C451 PolarHBondContact NE-O 3.41Å; P443-C451 PolarHBondContact O-SG 3.13Å; P447-C451 PolarHBondContact O-N 2.93Å; P447-C451 PolarHBondContact O-SG 3.01Å
452G73.7Confident72.1Confident41 Ų4165.5 Ų65.542%0.42332%0.321SS..  trans64.8-175.9-176.600000112.4E450E450-G452 PolarHBondContact O-N 2.86Å
453R69.5Low71.1Confident189 Ų18969.6 Ų69.671%0.71334%0.338SS*.PPolyproline II helixtrans-81.7121167.1-67-176-176.3169.83.7107.8F623R453-F623 HydrophobicContact CB-CZ 3.97Å; R453-F623 WeakPolarHBondContact O-CZ 3.39Å
454L64.4Low69.9Low43 Ų4374 Ų7423%0.22535%0.353CS..PPolyproline II helixtrans-65132.9175.6-67.3160.4000108.9P443 Q458 L459 I462 F623P443-L454 HydrophobicContact CB-CD2 4.28Å; P443-L454 HydrophobicContact CG-CD2 4.41Å; L454-Q458 HydrophobicContact CD2-CB 4.47Å; L454-L459 HydrophobicContact CB-CD1 4.33Å; L454-L459 HydrophobicContact CB-CD2 3.7Å; L454-L459 HydrophobicContact CB-CG 3.65Å; L454-L459 HydrophobicContact CD1-CD2 3.57Å; L454-L459 HydrophobicContact CD1-CG 4.44Å; L454-L459 HydrophobicContact CG-CD2 4.28Å; L454-I462 HydrophobicContact CD1-CD1 4.26Å; L454-I462 HydrophobicContact CD2-CD1 3.69Å; L454-F623 WeakPolarHBondContact O-CE2 3.14Å; L454-F623 WeakPolarHBondContact O-CZ 3.35Å
455T60.8Low68.7Low33 Ų3370.5 Ų70.520%0.20234%0.338CS..PPolyproline II helixtrans-61.4145.4173.2-470000108.4S457 Q458 L459 F623T455-S457 WeakPolarHBondContact CG2-OG 3.43Å; T455-S457 PolarHBondContact O-N 3.5Å; T455-S457 VanDerWaalsContact O-N 3.13Å; T455-Q458 WeakPolarHBondContact O-CA 3.43Å; T455-Q458 WeakPolarHBondContact O-CB 3.31Å; T455-Q458 PolarHBondContact O-N 3.34Å; T455-Q458 PolarHBondContact OG1-OE1 2.95Å; T455-L459 PolarHBondContact O-N 2.87Å; T455-F623 HydrophobicContact CG2-CB 4.25Å; T455-F623 HydrophobicContact CG2-CD1 3.93Å; T455-F623 HydrophobicContact CG2-CD2 4.47Å; T455-F623 HydrophobicContact CG2-CE1 4.42Å; T455-F623 HydrophobicContact CG2-CG 3.95Å
456E61.2Low67.2Low90 Ų9070.4 Ų70.442%0.42134%0.337SS..Hα-helixtrans-53.9-37.4179.7-161.2-174.315900112.1Q458 L459 D460 K619E456-Q458 VanDerWaalsContact C-N 3.33Å; E456-Q458 PolarHBondContact O-N 3.33Å; E456-L459 PolarHBondContact O-N 3.29Å; E456-D460 PolarHBondContact O-N 3Å; E456-K619 HydrophobicContact CB-CG 4.4Å; E456-K619 WeakPolarHBondContact OE1-CE 3.33Å; E456-K619 IonicContact OE1-NZ 2.95Å; E456-K619 WeakPolarHBondContact OE2-CE 3.48Å
457S58.6Low65.6Low44 Ų4474.9 Ų74.931%0.30837%0.367SS..Hα-helixtrans-65.9-29172.9620000114.4T455 V461T455-S457 WeakPolarHBondContact CG2-OG 3.43Å; T455-S457 PolarHBondContact O-N 3.5Å; T455-S457 VanDerWaalsContact O-N 3.13Å; S457-V461 WeakPolarHBondContact O-CG2 3.38Å; S457-V461 PolarHBondContact O-N 2.96Å
458Q61.9Low63.7Low30 Ų3079.5 Ų79.514%0.1439%0.385CS..Hα-helixtrans-79.3-37.7175.2-66174.1-57.200110.8R439 L454 T455 E456 D460 V461 I462R439-Q458 PolarHBondContact O-NE2 2.99Å; L454-Q458 HydrophobicContact CD2-CB 4.47Å; T455-Q458 WeakPolarHBondContact O-CA 3.43Å; T455-Q458 WeakPolarHBondContact O-CB 3.31Å; T455-Q458 PolarHBondContact O-N 3.34Å; T455-Q458 PolarHBondContact OG1-OE1 2.95Å; E456-Q458 VanDerWaalsContact C-N 3.33Å; E456-Q458 PolarHBondContact O-N 3.33Å; Q458-D460 PolarHBondContact O-N 3.43Å; Q458-V461 PolarHBondContact O-N 3.2Å; Q458-I462 HydrophobicContact CB-CD1 4.38Å; Q458-I462 WeakPolarHBondContact O-CB 3.5Å; Q458-I462 WeakPolarHBondContact O-CD1 3.41Å; Q458-I462 VanDerWaalsContact O-CG1 3.24Å; Q458-I462 WeakPolarHBondContact O-CG1 3.38Å; Q458-I462 PolarHBondContact O-N 3.49Å
459L63.3Low62Low56 Ų5674.5 Ų74.529%0.29338%0.376SS..Hα-helixtrans-60.8-37.8172.3-72.7169.5000111.2L454 T455 E456 K463L454-L459 HydrophobicContact CB-CD1 4.33Å; L454-L459 HydrophobicContact CB-CD2 3.7Å; L454-L459 HydrophobicContact CB-CG 3.65Å; L454-L459 HydrophobicContact CD1-CD2 3.57Å; L454-L459 HydrophobicContact CD1-CG 4.44Å; L454-L459 HydrophobicContact CG-CD2 4.28Å; T455-L459 PolarHBondContact O-N 2.87Å; E456-L459 PolarHBondContact O-N 3.29Å; L459-K463 WeakPolarHBondContact O-CB 3.48Å; L459-K463 VanDerWaalsContact O-CG 3.27Å; L459-K463 WeakPolarHBondContact O-CG 3.41Å; L459-K463 PolarHBondContact O-N 3.42Å
460D61.4Low60.3Low37 Ų3768.3 Ų68.320%0.19835%0.354CS..Hα-helixtrans-62.5-42.2174.7-74.2-41.4000112.8E456 Q458 Y464 K592 K619E456-D460 PolarHBondContact O-N 3Å; Q458-D460 PolarHBondContact O-N 3.43Å; D460-Y464 WeakPolarHBondContact O-CB 3.49Å; D460-Y464 VanDerWaalsContact O-CD2 3.32Å; D460-Y464 WeakPolarHBondContact O-CD2 3.47Å; D460-Y464 PolarHBondContact O-N 3.18Å; D460-K592 IonicContact OD1-NZ 2.8Å; D460-K592 PolarHBondContact OD1-NZ 3.2Å; D460-K619 IonicContact OD2-NZ 3.61Å; D460-K619 PolarHBondContact OD2-NZ 3.33Å
461V60.4Low59Low56 Ų5669 Ų6934%0.33936%0.364SS..Iπ-helixtrans-70.3-46.4178.9174.80000110.7S457 Q458 D465 L466S457-V461 WeakPolarHBondContact O-CG2 3.38Å; S457-V461 PolarHBondContact O-N 2.96Å; Q458-V461 PolarHBondContact O-N 3.2Å; V461-D465 WeakPolarHBondContact O-CB 3.24Å; V461-D465 PolarHBondContact O-N 2.99Å; V461-D465 VanDerWaalsContact O-N 3.11Å; V461-L466 PolarHBondContact O-N 3.36Å
462I60.8Low58.4Low35 Ų3568.8 Ų68.818%0.17936%0.36CS..Iπ-helixtrans-69.1-37.4-176.5-66.2160.1000112P443 L454 Q458P443-I462 HydrophobicContact CG-CD1 3.95Å; L454-I462 HydrophobicContact CD1-CD1 4.26Å; L454-I462 HydrophobicContact CD2-CD1 3.69Å; Q458-I462 HydrophobicContact CB-CD1 4.38Å; Q458-I462 WeakPolarHBondContact O-CB 3.5Å; Q458-I462 WeakPolarHBondContact O-CD1 3.41Å; Q458-I462 VanDerWaalsContact O-CG1 3.24Å; Q458-I462 WeakPolarHBondContact O-CG1 3.38Å; Q458-I462 PolarHBondContact O-N 3.49Å
463K57.1Low58Low107 Ų10770.5 Ų70.547%0.46536%0.36SS..Iπ-helixtrans-82.4-27.5-175.1-73.2-178.2173-174.40114.6L459 Q468L459-K463 WeakPolarHBondContact O-CB 3.48Å; L459-K463 VanDerWaalsContact O-CG 3.27Å; L459-K463 WeakPolarHBondContact O-CG 3.41Å; L459-K463 PolarHBondContact O-N 3.42Å; K463-Q468 PolarHBondContact O-NE2 3.49Å
464Y54.9Low58.4Low108 Ų10866.6 Ų66.642%0.42435%0.346SS..Iπ-helixtrans-122-33.3-166.7-59.4-81.3000114D460 T589D460-Y464 WeakPolarHBondContact O-CB 3.49Å; D460-Y464 VanDerWaalsContact O-CD2 3.32Å; D460-Y464 WeakPolarHBondContact O-CD2 3.47Å; D460-Y464 PolarHBondContact O-N 3.18Å; Y464-T589 HydrophobicContact CE1-CG2 4.45Å
465D52.7Low58.5Low45 Ų4566.1 Ų66.124%0.24135%0.352CS..Iπ-helixtrans-94-16.6179.8-69.8-46.3000113V461 S481V461-D465 WeakPolarHBondContact O-CB 3.24Å; V461-D465 PolarHBondContact O-N 2.99Å; V461-D465 VanDerWaalsContact O-N 3.11Å; D465-S481 PolarHBondContact OD1-N 2.99Å; D465-S481 PolarHBondContact OD1-OG 3.12Å
466L52.9Low58.9Low32 Ų3268.8 Ų68.817%0.16836%0.361CS..SBendtrans-113.2127.7175.4-72.3156.6000108.8V461 Q468 I472V461-L466 PolarHBondContact O-N 3.36Å; L466-Q468 PolarHBondContact O-N 3.01Å; L466-I472 HydrophobicContact CD2-CG1 4.39Å
467P52.8Low59Low100 Ų10068.3 Ų68.365%0.64937%0.368SS*.  trans-52.1126.2165.3-20.931.3000108.2D469 V470P467-D469 PolarHBondContact O-N 3.31Å; P467-V470 PolarHBondContact O-N 3.41Å
468Q46.1Very low59.2Low138 Ų13870.1 Ų70.165%0.64538%0.377SS*.THydrogen-bonded Turntrans-59.51.8-158.6-77.7171.9-200117.1K463 L466K463-Q468 PolarHBondContact O-NE2 3.49Å; L466-Q468 PolarHBondContact O-N 3.01Å
469D44.7Very low59.1Low138 Ų13874 Ų7474%0.73840%0.403SS*.THydrogen-bonded Turntrans-138.114.5-172.5-66-47.3000115.3P467P467-D469 PolarHBondContact O-N 3.31Å
470V50Low59.2Low61 Ų6175.2 Ų75.237%0.3742%0.416SS..  trans-127.3106.5-172-165.80000111.8P467 I472 N473P467-V470 PolarHBondContact O-N 3.41Å; V470-I472 PolarHBondContact O-N 3.38Å; V470-N473 WeakPolarHBondContact CG1-ND2 3.32Å
471A55.6Low59.3Low36 Ų3676.3 Ų76.330%0.29843%0.426SS..  trans-42.4136.1160.500000109.4N442 N473N442-A471 WeakPolarHBondContact ND2-CA 3.5Å; N442-A471 WeakPolarHBondContact ND2-CB 3Å; A471-N473 VanDerWaalsContact C-N 3.29Å; A471-N473 VanDerWaalsContact O-CG 3.23Å; A471-N473 PolarHBondContact O-N 3.12Å; A471-N473 PolarHBondContact O-OD1 3.37Å
472I62.7Low59.6Low25 Ų2574.7 Ų74.713%0.12842%0.417CS..  trans-53.6100.4175-57.7178.3000107.5P405 I441 L466 V470 Q476P405-I472 HydrophobicContact CG-CB 4.19Å; P405-I472 HydrophobicContact CG-CD1 4.32Å; P405-I472 HydrophobicContact CG-CG2 4.24Å; I441-I472 HydrophobicContact CG2-CD1 3.57Å; I441-I472 HydrophobicContact CG2-CG1 4.37Å; L466-I472 HydrophobicContact CD2-CG1 4.39Å; V470-I472 PolarHBondContact O-N 3.38Å; I472-Q476 WeakPolarHBondContact CG2-O 3.4Å
473N66.9Low60.1Low78 Ų7876.1 Ų76.142%0.41742%0.424SS..  trans-81.2158.6-177.6-72.8-31.5000108V470 A471 G475 Q476V470-N473 WeakPolarHBondContact CG1-ND2 3.32Å; A471-N473 VanDerWaalsContact C-N 3.29Å; A471-N473 VanDerWaalsContact O-CG 3.23Å; A471-N473 PolarHBondContact O-N 3.12Å; A471-N473 PolarHBondContact O-OD1 3.37Å; N473-G475 PolarHBondContact O-N 2.94Å; N473-G475 VanDerWaalsContact O-N 3.14Å; N473-Q476 HydrophobicContact CB-CG 4.17Å; N473-Q476 VanDerWaalsContact N-OE1 3.09Å; N473-Q476 WeakPolarHBondContact O-CB 3.44Å; N473-Q476 PolarHBondContact O-N 3.4Å
474Y76.4Confident60.7Low107 Ų10775 Ų7542%0.4243%0.427SS..THydrogen-bonded Turntrans-46.6122.7173.6172.8-109000111.2Q363 V364 P365 Y406Q363-Y474 PolarHBondContact O-OH 2.83Å; V364-Y474 WeakPolarHBondContact O-CD2 3.44Å; V364-Y474 WeakPolarHBondContact O-CE2 2.86Å; P365-Y474 HydrophobicContact CB-CE2 4.44Å; P365-Y474 HydrophobicContact CG-CE2 4.23Å; Y406-Y474 HydrophobicContact CE2-CD2 4.2Å; Y406-Y474 AromaticContact CZ-CD2 3.99Å
475G66.3Low61.5Low33 Ų3370.4 Ų70.434%0.3441%0.413SS..THydrogen-bonded Turntrans85.2-2.3179.100000116.1N473 C477N473-G475 PolarHBondContact O-N 2.94Å; N473-G475 VanDerWaalsContact O-N 3.14Å; G475-C477 PolarHBondContact O-N 3.35Å
476Q69.4Low62.7Low88 Ų8868.3 Ų68.341%0.41140%0.402SS..  trans-84.6104.6175.3-68.4-177-21.500110.9I472 N473 T478I472-Q476 WeakPolarHBondContact CG2-O 3.4Å; N473-Q476 HydrophobicContact CB-CG 4.17Å; N473-Q476 VanDerWaalsContact N-OE1 3.09Å; N473-Q476 WeakPolarHBondContact O-CB 3.44Å; N473-Q476 PolarHBondContact O-N 3.4Å; Q476-T478 PolarHBondContact O-N 3.36Å
477C63.8Low63.8Low81 Ų8168.1 Ų68.155%0.54740%0.401SS..  trans-76.1123.8172.7-72.10000110.9G475 T479G475-C477 PolarHBondContact O-N 3.35Å; C477-T479 PolarHBondContact O-N 2.82Å
478T62.4Low65.1Low82 Ų8265 Ų6550%0.50338%0.378SS..  trans-71.296.2170.1-41.50000109.5Q476Q476-T478 PolarHBondContact O-N 3.36Å
479T60.6Low66.6Low112 Ų11259 Ų5969%0.68735%0.351SS*.  trans-83.5114.7169.552.20000108.7C477 S481C477-T479 PolarHBondContact O-N 2.82Å; T479-S481 PolarHBondContact O-N 3.27Å
480S64.5Low68.3Low81 Ų8152.5 Ų52.557%0.56632%0.316SS*.  trans-68.5117.3170.1540000108.9
481S63.5Low69.6Low60 Ų6052.1 Ų52.142%0.4231%0.312SS..SBendtrans-67.5-39.2178.763.80000111.3D465 T479 F596D465-S481 PolarHBondContact OD1-N 2.99Å; D465-S481 PolarHBondContact OD1-OG 3.12Å; T479-S481 PolarHBondContact O-N 3.27Å; S481-F596 WeakPolarHBondContact O-CD2 3.47Å; S481-F596 VanDerWaalsContact O-CE2 3.31Å; S481-F596 WeakPolarHBondContact O-CE2 3.41Å
482T67.4Low70.6Confident22 Ų2252.7 Ų52.714%0.13532%0.316CS..SBendtrans-128.4147.8-169.9-50.40000111P484 A486 A595T482-P484 WeakPolarHBondContact O-CD 3.22Å; T482-A486 HydrophobicContact CG2-CB 4.16Å; T482-A595 HydrophobicContact CG2-CB 4.08Å
483I72.2Confident71.2Confident64 Ų6453.7 Ų53.733%0.32833%0.326SS..  trans-69.2122.7169.3-57.4178.1000107.9G485 A486 F604 M612I483-G485 PolarHBondContact O-N 2.92Å; I483-A486 HydrophobicContact CB-CB 4.22Å; I483-A486 VanDerWaalsContact O-CB 3.24Å; I483-A486 WeakPolarHBondContact O-CB 3.2Å; I483-A486 PolarHBondContact O-N 3.33Å; I483-F604 HydrophobicContact CD1-CD2 3.83Å; I483-F604 HydrophobicContact CD1-CE2 3.52Å; I483-M612 HydrophobicContact CG2-SD 4.03Å
484P69Low71.5Confident83 Ų8351.6 Ų51.654%0.53931%0.313SS..THydrogen-bonded Turntrans-54.1128.7179.7-25.934.7000110.7T482 Q616T482-P484 WeakPolarHBondContact O-CD 3.22Å; P484-Q616 VanDerWaalsContact C-NE2 3.35Å; P484-Q616 PolarHBondContact O-NE2 3.46Å
485G72.1Confident71.4Confident12 Ų1253.7 Ų53.712%0.12432%0.324CS..THydrogen-bonded Turntrans83.7-0.4-177.600000116.3I483 E487 I488I483-G485 PolarHBondContact O-N 2.92Å; G485-E487 PolarHBondContact O-N 3.1Å; G485-E487 VanDerWaalsContact O-N 3.08Å; G485-I488 WeakPolarHBondContact O-CD1 3.43Å; G485-I488 VanDerWaalsContact O-CG1 3.27Å; G485-I488 WeakPolarHBondContact O-CG1 3.38Å; G485-I488 PolarHBondContact O-N 3.45Å; G485-I488 VanDerWaalsContact O-N 3.16Å
486A76.6Confident71.6Confident2 Ų257.4 Ų57.42%0.01734%0.336CS..THydrogen-bonded Turntrans-59.1-20.7174.800000113.7T482 I483 I488 V489 A595 M612T482-A486 HydrophobicContact CG2-CB 4.16Å; I483-A486 HydrophobicContact CB-CB 4.22Å; I483-A486 VanDerWaalsContact O-CB 3.24Å; I483-A486 WeakPolarHBondContact O-CB 3.2Å; I483-A486 PolarHBondContact O-N 3.33Å; A486-I488 PolarHBondContact O-N 3.2Å; A486-I488 VanDerWaalsContact O-N 3.08Å; A486-V489 PolarHBondContact O-N 3.44Å; A486-A595 HydrophobicContact CB-CB 3.9Å; A486-M612 HydrophobicContact CB-SD 4.29Å
487E76.5Confident71.6Confident28 Ų2857.6 Ų57.613%0.13134%0.34CS..Hα-helixtrans-50.8-30.1172.6-62.2167.8-173.500113.3G485 V489 V490 L491 K592G485-E487 PolarHBondContact O-N 3.1Å; G485-E487 VanDerWaalsContact O-N 3.08Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 PolarHBondContact O-N 3.26Å; E487-V490 WeakPolarHBondContact O-CB 3.35Å; E487-V490 PolarHBondContact O-N 3.46Å; E487-L491 WeakPolarHBondContact O-CG 3.45Å; E487-L491 PolarHBondContact O-N 3.22Å; E487-K592 HydrophobicContact CG-CG 4.3Å; E487-K592 WeakPolarHBondContact OE1-CE 3.48Å; E487-K592 WeakPolarHBondContact OE1-CG 3.16Å
488I80.1Confident71.6Confident34 Ų3457.7 Ų57.717%0.17434%0.335CS..Hα-helixtrans-67.5-36-179.2-52.5145.8000111.2G485 A486 V490 L491 A492 M612 Y615G485-I488 WeakPolarHBondContact O-CD1 3.43Å; G485-I488 VanDerWaalsContact O-CG1 3.27Å; G485-I488 WeakPolarHBondContact O-CG1 3.38Å; G485-I488 PolarHBondContact O-N 3.45Å; G485-I488 VanDerWaalsContact O-N 3.16Å; A486-I488 PolarHBondContact O-N 3.2Å; A486-I488 VanDerWaalsContact O-N 3.08Å; I488-V490 VanDerWaalsContact C-N 3.28Å; I488-L491 CarbonylContact O-C 3.57Å; I488-L491 PolarHBondContact O-N 3Å; I488-A492 VanDerWaalsContact O-CB 3.32Å; I488-A492 WeakPolarHBondContact O-CB 3.48Å; I488-A492 PolarHBondContact O-N 3.13Å; I488-M612 HydrophobicContact CD1-CB 4.41Å; I488-M612 HydrophobicContact CD1-CG 4.23Å; I488-Y615 HydrophobicContact CD1-CD1 3.44Å; I488-Y615 VanDerWaalsContact CD1-CD1 3.44Å; I488-Y615 HydrophobicContact CD1-CD2 4.11Å; I488-Y615 HydrophobicContact CD1-CE1 4.34Å; I488-Y615 HydrophobicContact CD1-CG 3.28Å; I488-Y615 HydrophobicContact CG1-CD1 3.51Å; I488-Y615 HydrophobicContact CG1-CD2 3.72Å; I488-Y615 HydrophobicContact CG1-CE1 3.97Å; I488-Y615 HydrophobicContact CG1-CE2 4.18Å; I488-Y615 HydrophobicContact CG1-CG 3.36Å
489V77.9Confident71.5Confident13 Ų1361.1 Ų61.18%0.07934%0.343CS..Hα-helixtrans-66.9-38.5-179.1-176.70000109.2A486 E487 A492 S493 I598 F604A486-V489 PolarHBondContact O-N 3.44Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 PolarHBondContact O-N 3.26Å; V489-A492 PolarHBondContact O-N 3.49Å; V489-S493 PolarHBondContact O-N 2.85Å; V489-S493 PolarHBondContact O-OG 3.43Å; V489-I598 HydrophobicContact CG1-CD1 4.46Å; V489-I598 HydrophobicContact CG1-CG2 4.24Å; V489-F604 HydrophobicContact CB-CE1 4.4Å; V489-F604 HydrophobicContact CG1-CE1 4.28Å; V489-F604 HydrophobicContact CG2-CD1 4.31Å; V489-F604 HydrophobicContact CG2-CE1 4.03Å
490V79.8Confident71.3Confident1 Ų162.6 Ų62.61%0.00634%0.34CS..Hα-helixtrans-61.5-49.7171-176.80000110.6E487 I488 A492 S493 E494 L591 K594 A595 I598E487-V490 WeakPolarHBondContact O-CB 3.35Å; E487-V490 PolarHBondContact O-N 3.46Å; I488-V490 VanDerWaalsContact C-N 3.28Å; V490-A492 PolarHBondContact O-N 3.19Å; V490-S493 PolarHBondContact O-N 3.08Å; V490-S493 PolarHBondContact O-OG 3.04Å; V490-E494 HydrophobicContact CG1-CG 4.48Å; V490-E494 WeakPolarHBondContact O-CG 3.41Å; V490-E494 PolarHBondContact O-N 2.98Å; V490-L591 HydrophobicContact CG1-CD2 3.88Å; V490-K594 HydrophobicContact CG1-CB 3.75Å; V490-K594 HydrophobicContact CG1-CD 3.81Å; V490-K594 HydrophobicContact CG1-CG 4.46Å; V490-K594 HydrophobicContact CG2-CB 3.86Å; V490-A595 HydrophobicContact CG2-CB 3.81Å; V490-I598 HydrophobicContact CB-CD1 4.46Å; V490-I598 HydrophobicContact CG2-CD1 3.67Å
491L78.4Confident70.9Confident53 Ų5365.2 Ų65.228%0.27734%0.341SS..Hα-helixtrans-63.3-31179.2-69.3171.1000112.6E487 I488 K495 L591E487-L491 WeakPolarHBondContact O-CG 3.45Å; E487-L491 PolarHBondContact O-N 3.22Å; I488-L491 CarbonylContact O-C 3.57Å; I488-L491 PolarHBondContact O-N 3Å; L491-K495 WeakPolarHBondContact O-CB 3.17Å; L491-K495 WeakPolarHBondContact O-CD 3.14Å; L491-K495 WeakPolarHBondContact O-CG 3.09Å; L491-K495 PolarHBondContact O-N 2.99Å; L491-L591 HydrophobicContact CD2-CD1 4.33Å; L491-L591 HydrophobicContact CD2-CD2 3.9Å; L491-L591 HydrophobicContact CG-CD2 4.35Å
492A77.1Confident70.3Confident48 Ų4868.9 Ų68.940%0.39735%0.352SS..Hα-helixtrans-74-41.6176.100000112I488 V489 V490 K495 L496I488-A492 VanDerWaalsContact O-CB 3.32Å; I488-A492 WeakPolarHBondContact O-CB 3.48Å; I488-A492 PolarHBondContact O-N 3.13Å; V489-A492 PolarHBondContact O-N 3.49Å; V490-A492 PolarHBondContact O-N 3.19Å; A492-K495 PolarHBondContact O-N 3.38Å; A492-L496 PolarHBondContact O-N 2.96Å
493S74.1Confident69.5Low46 Ų4671.4 Ų71.432%0.32237%0.37SS..Hα-helixtrans-68.3-39.6178.367.90000112.1V489 V490 K495 L496 N497V489-S493 PolarHBondContact O-N 2.85Å; V489-S493 PolarHBondContact O-OG 3.43Å; V490-S493 PolarHBondContact O-N 3.08Å; V490-S493 PolarHBondContact O-OG 3.04Å; S493-K495 PolarHBondContact O-N 3.28Å; S493-L496 PolarHBondContact O-N 2.91Å; S493-N497 PolarHBondContact O-N 2.87Å
494E73.9Confident68.4Low33 Ų3371.7 Ų71.715%0.15438%0.378CS..Hα-helixtrans-65.6-37.7175.3-72.4179.3157.100112.3V490 L496 N497 N498 I586 K594V490-E494 HydrophobicContact CG1-CG 4.48Å; V490-E494 WeakPolarHBondContact O-CG 3.41Å; V490-E494 PolarHBondContact O-N 2.98Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 3.47Å; E494-N497 PolarHBondContact O-N 2.94Å; E494-N498 PolarHBondContact O-N 3.43Å; E494-I586 WeakPolarHBondContact OE2-CD1 3.36Å; E494-K594 IonicContact OE1-NZ 3.78Å; E494-K594 PolarHBondContact OE1-NZ 3.16Å
495K73.3Confident67.5Low151 Ų15175.3 Ų75.366%0.65739%0.387SS*.Hα-helixtrans-62.3-37.3173-78.9175.1-177.7-177.50112.5L491 A492 S493 K499L491-K495 WeakPolarHBondContact O-CB 3.17Å; L491-K495 WeakPolarHBondContact O-CD 3.14Å; L491-K495 WeakPolarHBondContact O-CG 3.09Å; L491-K495 PolarHBondContact O-N 2.99Å; A492-K495 PolarHBondContact O-N 3.38Å; S493-K495 PolarHBondContact O-N 3.28Å; K495-K499 PolarHBondContact O-N 2.95Å
496L71Confident66.2Low111 Ų11183.7 Ų83.758%0.58142%0.42SS*.Hα-helixtrans-69.9-40.4175.5-76.2164000111.8A492 S493 E494 K499 K500A492-L496 PolarHBondContact O-N 2.96Å; S493-L496 PolarHBondContact O-N 2.91Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 3.47Å; L496-K499 PolarHBondContact O-N 3.49Å; L496-K500 PolarHBondContact O-N 2.97Å; L496-K500 VanDerWaalsContact O-N 3.11Å
497N69Low64.7Low93 Ų9387.4 Ų87.450%0.49745%0.446SS..Hα-helixtrans-66.8-38.4178-79.6-10.9000112.7S493 E494 K499 K500 K501S493-N497 PolarHBondContact O-N 2.87Å; E494-N497 PolarHBondContact O-N 2.94Å; N497-K499 VanDerWaalsContact C-N 3.34Å; N497-K500 PolarHBondContact O-N 2.94Å; N497-K501 PolarHBondContact O-N 2.98Å
498N65.5Low62.9Low82 Ų8293 Ų9344%0.43948%0.477SS..Hα-helixtrans-64.3-39.6175-74.5-8.5000111.7E494 K500 K501 E502E494-N498 PolarHBondContact O-N 3.43Å; N498-K500 VanDerWaalsContact C-N 3.35Å; N498-K500 PolarHBondContact O-N 2.99Å; N498-K501 PolarHBondContact O-N 2.66Å; N498-E502 PolarHBondContact O-N 2.72Å; N498-E502 VanDerWaalsContact O-N 3.15Å
499K59.3Low61Low154 Ų15499.9 Ų99.967%0.6751%0.508SS*.Hα-helixtrans-62.6-38.1173.8-77.5-175.8175.6-1750113K495 L496 N497 S503K495-K499 PolarHBondContact O-N 2.95Å; L496-K499 PolarHBondContact O-N 3.49Å; N497-K499 VanDerWaalsContact C-N 3.34Å; K499-S503 PolarHBondContact O-N 3Å; K499-S503 PolarHBondContact O-OG 3.45Å
500K56.9Low59.2Low143 Ų143104.5 Ų104.562%0.62254%0.541SS*.Hα-helixtrans-69.3-38177.7-75.2-176177.8-178.10112.9L496 N497 N498 S503 S504L496-K500 PolarHBondContact O-N 2.97Å; L496-K500 VanDerWaalsContact O-N 3.11Å; N497-K500 PolarHBondContact O-N 2.94Å; N498-K500 VanDerWaalsContact C-N 3.35Å; N498-K500 PolarHBondContact O-N 2.99Å; K500-S503 WeakPolarHBondContact CA-OG 3.48Å; K500-S503 PolarHBondContact O-N 2.66Å; K500-S503 PolarHBondContact O-OG 3.07Å; K500-S504 PolarHBondContact O-N 3.44Å; K500-S504 VanDerWaalsContact O-N 3.12Å
501K55.7Low57Low136 Ų136112.9 Ų112.959%0.59159%0.585SS**Hα-helixtrans-65.7-42.4176.2-75.4-175.5176.3-176.20112.1N497 N498 S503 S504 E505N497-K501 PolarHBondContact O-N 2.98Å; N498-K501 PolarHBondContact O-N 2.66Å; K501-S503 PolarHBondContact O-N 2.97Å; K501-S504 PolarHBondContact O-N 2.98Å; K501-E505 PolarHBondContact O-N 3.16Å; K501-E505 VanDerWaalsContact O-N 3.07Å
502E50Low54.9Low138 Ų138117.8 Ų117.865%0.64561%0.612SS**Hα-helixtrans-63.5-28.6175.9-73.2179.4174.500113.1N498N498-E502 PolarHBondContact O-N 2.72Å; N498-E502 VanDerWaalsContact O-N 3.15Å
503S51.2Low52.8Low74 Ų74120.3 Ų120.352%0.51763%0.625SS.*Hα-helixtrans-79.5-31.5174.551.60000114.3K499 K500 K501K499-S503 PolarHBondContact O-N 3Å; K499-S503 PolarHBondContact O-OG 3.45Å; K500-S503 WeakPolarHBondContact CA-OG 3.48Å; K500-S503 PolarHBondContact O-N 2.66Å; K500-S503 PolarHBondContact O-OG 3.07Å; K501-S503 PolarHBondContact O-N 2.97Å
504S50Low50.7Low71 Ų71122.3 Ų122.350%0.49764%0.64SS.*Hα-helixtrans-84-22.5179.1-800000114K500 K501 K506 S507K500-S504 PolarHBondContact O-N 3.44Å; K500-S504 VanDerWaalsContact O-N 3.12Å; K501-S504 PolarHBondContact O-N 2.98Å; S504-K506 PolarHBondContact O-N 2.93Å; S504-S507 PolarHBondContact O-N 3.25Å; S504-S507 PolarHBondContact O-OG 3.37Å
505E48.3Very low48.7Very low158 Ų158127.8 Ų127.874%0.73867%0.665SS**THydrogen-bonded Turntrans-74.3-15.8174.3-75.6175.4179.500112.9K501K501-E505 PolarHBondContact O-N 3.16Å; K501-E505 VanDerWaalsContact O-N 3.07Å
506K46.6Very low47Very low188 Ų188128.7 Ų128.782%0.81767%0.669SS**THydrogen-bonded Turntrans-87.3-8.9172-79.6-179.2176.9175.70114.5S504S504-K506 PolarHBondContact O-N 2.93Å
507S43.6Very low45.5Very low80 Ų80133.1 Ų133.156%0.55968%0.679SS**SBendtrans-1025.7-174.660.70000115S504S504-S507 PolarHBondContact O-N 3.25Å; S504-S507 PolarHBondContact O-OG 3.37Å
508N39.2Very low43.8Very low146 Ų146132.7 Ų132.778%0.78168%0.684SS**  trans-113.724.4-175.9-77.7-10.2000114.7
509Q40.4Very low42.4Very low178 Ų178135.2 Ų135.283%0.83270%0.697SS**SBendtrans-103.7110.6166.5-121170.12.500109.5
510S40.2Very low41.4Very low110 Ų110134.5 Ų134.577%0.76970%0.701SS**  trans57.5100.2156.958.40000118.6
511L32.7Very low40.4Very low178 Ų178135.1 Ų135.193%0.93271%0.706SS**  trans-38.1131.1146.7-75.3116.6000113.2
512D34.8Very low39.6Very low155 Ų155136.8 Ų136.883%0.82971%0.713SS**  trans-155.9149.4134.6-158.411.5000111.6
513C32.5Very low38.9Very low101 Ų101136.9 Ų136.968%0.68272%0.718SS**  trans-55.7138.8-171-80.20000117.4
514S30.3Very low38Very low89 Ų89140.5 Ų140.562%0.62273%0.732SS**  71.8143.5117.590.70000121.5
515E31.9Very low37.2Very low148 Ų148141.6 Ų141.669%0.69274%0.739SS**  trans81.3109.4151.6-65.8167.7-14800117.3
516K38Very low36.3Very low169 Ų169138.2 Ų138.274%0.73573%0.733SS**  177117.686.5-84.8-166.1-176166.50112.5
517Y38.7Very low35.5Very low204 Ų204138.2 Ų138.280%0.874%0.736SS**  trans46.3149.1139.7-59.2-86.6000121.5
518S33.7Very low34.8Very low85 Ų85139.4 Ų139.459%0.59475%0.745SS**  cis168.9131.5-17.1-171.30000105.1
519N36.7Very low34.1Very low134 Ų134138.8 Ų138.872%0.71775%0.75SS**  159.9123.9120.5-82.2-17.3000114.4
520N38.7Very low33.6Very low140 Ų140134.9 Ų134.975%0.74974%0.743SS**  trans73.192.9147.1-65.4-4.2000117.3
521E35.4Very low33Very low155 Ų155138 Ų13872%0.72475%0.745SS**  cis80.3129.643.9-145.9-168.9-121.700114
522K39.1Very low32.8Very low171 Ų171135.9 Ų135.974%0.74373%0.733SS**  trans95.2135.6162.1-56.3179.5-174.5174.20117.8
523N34.2Very low32.5Very low140 Ų140135.7 Ų135.775%0.74973%0.728SS**  cis-175.3169.3-31-125.49.1000106.1
524D33.5Very low32.5Very low150 Ų150140.3 Ų140.380%0.80274%0.739SS**  trans78.6136164.7-55.8-18.9000114.8
525S32Very low32.5Very low94 Ų94144.7 Ų144.766%0.65775%0.747SS**  cis161.2137.7-1.41680000103.6
526S30.5Very low32.5Very low88 Ų88147 Ų14762%0.61576%0.758SS**  trans49.9124.3148.863.70000121.4
527E28.7Very low32.1Very low187 Ų187146.4 Ų146.487%0.87476%0.763SS**  trans90.4125.8131.9-80.1176.414700121.2
528S29Very low31.9Very low106 Ų106145.8 Ų145.874%0.74177%0.767SS**  trans92.7106.6138.5-153.10000118.8
529C26.1Very low31.7Very low132 Ų132147.9 Ų147.989%0.89278%0.776SS**  trans-56.6125.7152.2-800000111.7
530S29.4Very low31.5Very low97 Ų97147.9 Ų147.968%0.67879%0.785SS**  trans-176.4109.7146.449.30000106.8
531E26.8Very low31.2Very low174 Ų174146.6 Ų146.681%0.81379%0.788SS**  106.9145.681.8-145.8176.6-148.300108.1
532I29.6Very low30.8Very low134 Ų134146.3 Ų146.369%0.68779%0.791SS**  trans84.998.8162.1-54.7173.3000114.8
533Q27.4Very low30.6Very low152 Ų152143.7 Ų143.771%0.7179%0.794SS**  93.3115.377.6-164.81711600110.4
534E32.9Very low30.5Very low197 Ų197145.2 Ų145.292%0.92180%0.797SS**  trans-169.4132.5139.5-104.7162.2-159.300110.7
535F29.4Very low30.6Very low182 Ų182144.2 Ų144.280%0.79880%0.796SS**  trans-80.2135.7176.8-84.9-109.7000109.2
536E33.5Very low30.8Very low197 Ų197147.1 Ų147.192%0.92180%0.804SS**  trans-144.7128.2146.2-70.7-163.215400110.2
537D29.5Very low31Very low155 Ų155152.2 Ų152.283%0.82982%0.819SS**  trans-66.7134.9172.5-70.9-52.4000110.6
538E34Very low31.3Very low192 Ų192149.1 Ų149.190%0.89782%0.817SS**  trans-145.4129.8150.8-85-145.3159.300113.3
539T28.8Very low31.6Very low128 Ų128152.1 Ų152.179%0.78583%0.825SS**  trans-63.5144.1175.321.90000115.3
540C33.3Very low32Very low134 Ų134149.4 Ų149.491%0.90582%0.819SS**  trans-139.595.9151.7-88.60000106.4
541S31.5Very low32.1Very low114 Ų114153.5 Ų153.580%0.79783%0.828SS**  65.9103.780.3-161.20000113.6
542D27.6Very low32.6Very low148 Ų148157.3 Ų157.379%0.79184%0.835SS**  trans-51.4142.5165.3-106.9-30.1000112.8
543S35Very low32.9Very low117 Ų117156.7 Ų156.782%0.81884%0.837SS**  trans-148.5111.6146.951.30000110
544E31.4Very low33.1Very low171 Ų171157.1 Ų157.180%0.79984%0.844SS**  trans-74.2144.3168.5-60.4-174.4153.800111.2
545T35.6Very low33.2Very low129 Ų129155.8 Ų155.879%0.79184%0.843SS**  trans151.5131.5151.431.10000107.1
546D36.5Very low33.4Very low155 Ų155152.3 Ų152.383%0.82984%0.841SS**  cis-152.2153.528.7-89.9-41.2000111.8
547E35Very low33.2Very low196 Ų196150.6 Ų150.692%0.91684%0.838SS**  trans-70142.9173.8-58-179.2146.700112.9
548S36Very low33.3Very low121 Ų121148 Ų14885%0.84683%0.832SS**  trans-159.7113.5145.5-175.20000111.5
549D33.6Very low33.4Very low170 Ų170143 Ų14391%0.90982%0.819SS**  trans-58.1151.3171.2-86.4-39000113.8
550G35.8Very low33.6Very low74 Ų74144.9 Ų144.976%0.76382%0.818SS**  trans-17367.5175.500000115.4
551E31.3Very low33.8Very low184 Ų184146.6 Ų146.686%0.8681%0.813SS**  trans43.7122.1139.1-153.1163.1-164.400121.8
552W37.9Very low34.1Very low254 Ų254147.9 Ų147.996%0.96281%0.811SS**  trans-76.2129.1171.1-73.568.6000112.1
553V34.2Very low34.5Very low120 Ų120147.7 Ų147.773%0.72781%0.81SS**  trans-106.9119170.4-173.80000111.1L555V553-L555 HydrophobicContact CG1-CD1 4.43Å; V553-L555 HydrophobicContact CG1-CG 4.35Å
554N32.1Very low34.6Very low161 Ų161150 Ų15086%0.86181%0.807SS**  trans-92.3130.5164.7-104.7-18.6000108.5
555L35.2Very low34.7Very low170 Ų170150 Ų15089%0.8981%0.808SS**  trans-125.4108163.8-85.1162.6000110.4V553V553-L555 HydrophobicContact CG1-CD1 4.43Å; V553-L555 HydrophobicContact CG1-CG 4.35Å
556S34.8Very low34.6Very low109 Ų109151.6 Ų151.676%0.76281%0.811SS**  trans-97.1139.3168.351.50000110.2
557N27.4Very low34.3Very low161 Ų161151.7 Ų151.786%0.86181%0.812SS**  trans-22.5143.5164.2-62-11.2000117.2
558S33.2Very low34.4Very low101 Ų101148.5 Ų148.571%0.70681%0.806SS**  156.5130.8109.4-172.40000111.4
559S35.4Very low34.3Very low87 Ų87149.4 Ų149.461%0.60880%0.801SS**  trans55.6138.3141.260.90000118.7
560E33.9Very low34.4Very low166 Ų166148.7 Ų148.778%0.77680%0.796SS**  cis172.6157.17.1-112.4156.9176.900104
561E37.4Very low34.2Very low171 Ų171153.9 Ų153.980%0.79980%0.8SS**  trans69.6137.7164.8-59.6166.4-161.300116.7
562D36.7Very low34.3Very low141 Ų141153.5 Ų153.575%0.75480%0.8SS**  cis-172.9171-16.8-109.9-21.1000104
563D35.7Very low34.1Very low143 Ų143148.8 Ų148.877%0.76579%0.794SS**  trans92.684166.2-51.2-24.9000118.6
564E37.8Very low34.1Very low165 Ų165151.3 Ų151.377%0.77180%0.798SS**  60.2109.3119.4-65.6-176.517100121.3
565Q33Very low34Very low172 Ų172149.4 Ų149.480%0.80480%0.796SS**  trans58.9104.5136.1-71.2168.1-1.300119.2
566D32.8Very low33.7Very low163 Ų163146.7 Ų146.787%0.87278%0.782SS**  -157.7124.4113.5-98.8-25.2000110.7V568D566-V568 PolarHBondContact O-N 2.95Å
567N31.2Very low33.4Very low156 Ų156147.1 Ų147.183%0.83478%0.78SS**  trans-67.6123.4174.3-87-25000109.8
568V36.5Very low33.4Very low130 Ų130146 Ų14679%0.78877%0.773SS**  trans-126.9108.2156.3-173.60000107.2D566 I570D566-V568 PolarHBondContact O-N 2.95Å; V568-I570 PolarHBondContact O-N 3.18Å
569D33.6Very low33.2Very low140 Ų140146.3 Ų146.375%0.74977%0.771SS**  trans-59.1127.8175.3-66.2-53.3000110.4
570I36.4Very low32.8Very low155 Ų155147.9 Ų147.980%0.79578%0.779SS**  trans-95.198.9166.3-62.3175.1000106.3V568 M572V568-I570 PolarHBondContact O-N 3.18Å; I570-M572 HydrophobicContact CG2-CG 4.48Å; I570-M572 PolarHBondContact O-N 3.46Å
571E32.2Very low32.6Very low183 Ų183144.4 Ų144.486%0.85577%0.773SS**  trans-60.1120.8164.7-65.7179.8159.900108.9
572M33.9Very low32.1Very low176 Ų176145.8 Ų145.887%0.86778%0.777SS**  trans-115.2106.9164.2-85.9-170.163.700108.5I570 E574I570-M572 HydrophobicContact CG2-CG 4.48Å; I570-M572 PolarHBondContact O-N 3.46Å; M572-E574 PolarHBondContact O-N 3.24Å
573D33.3Very low32Very low154 Ų154147.3 Ų147.382%0.82478%0.776SS**  trans-16.3106.5175.8-66.9-40.5000117.3C575D573-C575 PolarHBondContact O-N 3.17Å
574E33.5Very low32.1Very low174 Ų174145 Ų14581%0.81377%0.768SS**  trans-71.9101.8156.2-69.8-171.415500109.5M572 N576M572-E574 PolarHBondContact O-N 3.24Å; E574-N576 PolarHBondContact O-N 3.11Å
575C30Very low32.5Very low121 Ų121146.7 Ų146.782%0.81877%0.772SS**  trans-70.184.4160-74.80000109.1D573 V577D573-C575 PolarHBondContact O-N 3.17Å; C575-V577 VanDerWaalsContact C-N 3.33Å; C575-V577 PolarHBondContact O-N 3.22Å
576N28.8Very low33.7Very low113 Ų113140.6 Ų140.660%0.60475%0.745SS**  trans-72.180.5177.9-154.2-2.6000110.3E574 N578E574-N576 PolarHBondContact O-N 3.11Å; N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 3.35Å
577V29.4Very low35.3Very low118 Ų118137.9 Ų137.972%0.71573%0.731SS**  trans-78.586.2164.2-173.10000107.4C575 V579C575-V577 VanDerWaalsContact C-N 3.33Å; C575-V577 PolarHBondContact O-N 3.22Å; V577-V579 VanDerWaalsContact C-N 3.26Å; V577-V579 HydrophobicContact CG1-CG2 3.88Å; V577-V579 PolarHBondContact O-N 3.13Å
578N27.4Very low37Very low136 Ų136133.8 Ų133.873%0.72771%0.713SS**  trans-58.788.3164.8-91.9-33.2000109.4N576 P580N576-N578 VanDerWaalsContact C-N 3.26Å; N576-N578 PolarHBondContact O-N 3.35Å; N578-P580 WeakPolarHBondContact O-CD 3.41Å
579V29.2Very low38.7Very low109 Ų109131 Ų13166%0.66170%0.696SS**  trans-82.9115163.5-1760000106.9V577 S581V577-V579 VanDerWaalsContact C-N 3.26Å; V577-V579 HydrophobicContact CG1-CG2 3.88Å; V577-V579 PolarHBondContact O-N 3.13Å; V579-S581 VanDerWaalsContact C-N 3.35Å; V579-S581 PolarHBondContact O-N 2.85Å
580P25.8Very low40.7Very low119 Ų119126.8 Ų126.877%0.77368%0.675SS**  trans-69.395.9176.528.4-31.3000108.3N578 K582N578-P580 WeakPolarHBondContact O-CD 3.41Å; P580-K582 PolarHBondContact O-N 2.95Å
581S29.3Very low42.6Very low93 Ų93120.3 Ų120.365%0.6564%0.642SS**  trans-73.978.6174.462.60000109.9V579 K583V579-S581 VanDerWaalsContact C-N 3.35Å; V579-S581 PolarHBondContact O-N 2.85Å; S581-K583 PolarHBondContact O-N 3.02Å
582K28.2Very low44.4Very low201 Ų201113 Ų11387%0.87461%0.608SS**  trans-6690.3148.7-85.8-177.2178.3176.20106.1P580 T584P580-K582 PolarHBondContact O-N 2.95Å; K582-T584 PolarHBondContact O-N 3.41Å
583K34.8Very low46.6Very low172 Ų172110.4 Ų110.475%0.74859%0.593SS**  trans-57105.6172.5-67175.3-179.4174.70107.3S581 K585S581-K583 PolarHBondContact O-N 3.02Å; K583-K585 VanDerWaalsContact C-N 3.27Å; K583-K585 PolarHBondContact O-N 3.02Å
584T37.2Very low48.8Very low95 Ų95106.6 Ų106.658%0.58357%0.569SS**  trans-61.698.8159.340.20000106K582 I586K582-T584 PolarHBondContact O-N 3.41Å; T584-I586 PolarHBondContact O-N 3.27Å
585K46.2Very low51.1Low200 Ų20098.3 Ų98.387%0.8753%0.531SS*.  trans-68.987.2172.5-68-179.6-178.1178.30106.8K583K583-K585 VanDerWaalsContact C-N 3.27Å; K583-K585 PolarHBondContact O-N 3.02Å
586I58.5Low53.6Low45 Ų4597.1 Ų97.123%0.23151%0.512CS..  trans-97.4128.5168.3-54.8160.5000105.2E494 T584 V590 L591E494-I586 WeakPolarHBondContact OE2-CD1 3.36Å; T584-I586 PolarHBondContact O-N 3.27Å; I586-V590 HydrophobicContact CG2-CB 4.36Å; I586-V590 HydrophobicContact CG2-CG1 4.4Å; I586-L591 HydrophobicContact CB-CD1 4.31Å; I586-L591 HydrophobicContact CB-CD2 4.17Å; I586-L591 HydrophobicContact CB-CG 4.09Å; I586-L591 HydrophobicContact CD1-CD2 4.15Å; I586-L591 HydrophobicContact CG2-CD1 4.44Å; I586-L591 HydrophobicContact CG2-CD2 3.81Å; I586-L591 HydrophobicContact CG2-CG 3.7Å
587D65.7Low56.1Low106 Ų10697.5 Ų97.557%0.56751%0.51SS*.  trans-60137.2179.8-73.5-36.3000110.3T589 V590 L591D587-T589 PolarHBondContact O-N 3.03Å; D587-T589 VanDerWaalsContact O-N 3.14Å; D587-V590 HydrophobicContact CB-CG2 4.25Å; D587-V590 PolarHBondContact O-N 2.86Å; D587-V590 VanDerWaalsContact O-N 3.14Å; D587-L591 PolarHBondContact O-N 3.37Å
588P67.3Low58.6Low70 Ų7093.5 Ų93.546%0.45548%0.484SS..Hα-helixtrans-63.2-22.3-174.525.4-34.6000113K592P588-K592 WeakPolarHBondContact O-CG 3.23Å; P588-K592 PolarHBondContact O-N 3.28Å
589T71.3Confident61.2Low70 Ų7088.7 Ų88.743%0.42946%0.463SS..Hα-helixtrans-68-49.6174.348.40000111.3Y464 D587 L591 K592 E593Y464-T589 HydrophobicContact CE1-CG2 4.45Å; D587-T589 PolarHBondContact O-N 3.03Å; D587-T589 VanDerWaalsContact O-N 3.14Å; T589-L591 VanDerWaalsContact C-N 3.31Å; T589-L591 PolarHBondContact O-N 3.16Å; T589-K592 PolarHBondContact O-N 2.9Å; T589-K592 VanDerWaalsContact O-N 3.13Å; T589-E593 PolarHBondContact O-N 3Å; T589-E593 VanDerWaalsContact O-N 3.08Å
590V76.5Confident63.8Low52 Ų5288.2 Ų88.232%0.31546%0.46SS..Hα-helixtrans-63.9-36.8-180-179.50000111.5I586 D587 K592 E593 K594I586-V590 HydrophobicContact CG2-CB 4.36Å; I586-V590 HydrophobicContact CG2-CG1 4.4Å; D587-V590 HydrophobicContact CB-CG2 4.25Å; D587-V590 PolarHBondContact O-N 2.86Å; D587-V590 VanDerWaalsContact O-N 3.14Å; V590-K592 VanDerWaalsContact C-N 3.32Å; V590-K592 PolarHBondContact O-N 3.46Å; V590-E593 PolarHBondContact O-N 2.95Å; V590-K594 HydrophobicContact CG1-CD 4.47Å; V590-K594 WeakPolarHBondContact O-CG 3.47Å; V590-K594 PolarHBondContact O-N 3.43Å; V590-K594 VanDerWaalsContact O-N 3.07Å
591L75.7Confident66.5Low20 Ų2087.2 Ų87.211%0.10546%0.456CS..Hα-helixtrans-62.6-38175.5-74.8173.9000112.5V490 L491 I586 D587 T589 A595V490-L591 HydrophobicContact CG1-CD2 3.88Å; L491-L591 HydrophobicContact CD2-CD1 4.33Å; L491-L591 HydrophobicContact CD2-CD2 3.9Å; L491-L591 HydrophobicContact CG-CD2 4.35Å; I586-L591 HydrophobicContact CB-CD1 4.31Å; I586-L591 HydrophobicContact CB-CD2 4.17Å; I586-L591 HydrophobicContact CB-CG 4.09Å; I586-L591 HydrophobicContact CD1-CD2 4.15Å; I586-L591 HydrophobicContact CG2-CD1 4.44Å; I586-L591 HydrophobicContact CG2-CD2 3.81Å; I586-L591 HydrophobicContact CG2-CG 3.7Å; D587-L591 PolarHBondContact O-N 3.37Å; T589-L591 VanDerWaalsContact C-N 3.31Å; T589-L591 PolarHBondContact O-N 3.16Å; L591-A595 VanDerWaalsContact O-CB 3.31Å; L591-A595 WeakPolarHBondContact O-CB 3.25Å; L591-A595 PolarHBondContact O-N 3.22Å
592K70.5Confident69.1Low30 Ų3088.6 Ų88.613%0.1345%0.447CS..Hα-helixtrans-74.1-38.8179-73.2-178-178-178.60112.1D460 E487 P588 T589 V590 A595 F596D460-K592 IonicContact OD1-NZ 2.8Å; D460-K592 PolarHBondContact OD1-NZ 3.2Å; E487-K592 HydrophobicContact CG-CG 4.3Å; E487-K592 WeakPolarHBondContact OE1-CE 3.48Å; E487-K592 WeakPolarHBondContact OE1-CG 3.16Å; P588-K592 WeakPolarHBondContact O-CG 3.23Å; P588-K592 PolarHBondContact O-N 3.28Å; T589-K592 PolarHBondContact O-N 2.9Å; T589-K592 VanDerWaalsContact O-N 3.13Å; V590-K592 VanDerWaalsContact C-N 3.32Å; V590-K592 PolarHBondContact O-N 3.46Å; K592-A595 CarbonylContact O-C 3.39Å; K592-A595 WeakPolarHBondContact O-CB 3.17Å; K592-A595 PolarHBondContact O-N 2.98Å; K592-A595 VanDerWaalsContact O-N 3.16Å; K592-F596 WeakPolarHBondContact O-CB 2.91Å; K592-F596 PolarHBondContact O-N 3.34Å
593E79.7Confident71.8Confident121 Ų12186.7 Ų86.757%0.56545%0.445SS*.Hα-helixtrans-61.1-46.6174.1-71.4172.3178.100111.4T589 V590 A595 F596 E597T589-E593 PolarHBondContact O-N 3Å; T589-E593 VanDerWaalsContact O-N 3.08Å; V590-E593 PolarHBondContact O-N 2.95Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 2.89Å; E593-F596 WeakPolarHBondContact O-CB 3.41Å; E593-F596 PolarHBondContact O-N 3.26Å; E593-F596 VanDerWaalsContact O-N 3.15Å; E593-E597 WeakPolarHBondContact O-CG 3.41Å; E593-E597 PolarHBondContact O-N 2.98Å
594K80.4Confident74.1Confident74 Ų7479.4 Ų79.432%0.32241%0.413SS..Hα-helixtrans-62-37.7172.8-69.5-178.4-173.8-176.10112.2V490 E494 V590 F596 E597 I598V490-K594 HydrophobicContact CG1-CB 3.75Å; V490-K594 HydrophobicContact CG1-CD 3.81Å; V490-K594 HydrophobicContact CG1-CG 4.46Å; V490-K594 HydrophobicContact CG2-CB 3.86Å; E494-K594 IonicContact OE1-NZ 3.78Å; E494-K594 PolarHBondContact OE1-NZ 3.16Å; V590-K594 HydrophobicContact CG1-CD 4.47Å; V590-K594 WeakPolarHBondContact O-CG 3.47Å; V590-K594 PolarHBondContact O-N 3.43Å; V590-K594 VanDerWaalsContact O-N 3.07Å; K594-F596 VanDerWaalsContact C-N 3.3Å; K594-E597 PolarHBondContact O-N 2.96Å; K594-I598 VanDerWaalsContact O-CG1 3.27Å; K594-I598 WeakPolarHBondContact O-CG1 3.35Å; K594-I598 PolarHBondContact O-N 2.95Å
595A81.2Confident76.5Confident0 Ų078 Ų780%040%0.404CS..Hα-helixtrans-66.2-36.2176.500000111.6T482 A486 V490 L591 K592 E593 I598 A599T482-A595 HydrophobicContact CG2-CB 4.08Å; A486-A595 HydrophobicContact CB-CB 3.9Å; V490-A595 HydrophobicContact CG2-CB 3.81Å; L591-A595 VanDerWaalsContact O-CB 3.31Å; L591-A595 WeakPolarHBondContact O-CB 3.25Å; L591-A595 PolarHBondContact O-N 3.22Å; K592-A595 CarbonylContact O-C 3.39Å; K592-A595 WeakPolarHBondContact O-CB 3.17Å; K592-A595 PolarHBondContact O-N 2.98Å; K592-A595 VanDerWaalsContact O-N 3.16Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 2.89Å; A595-I598 PolarHBondContact O-N 3.41Å; A595-A599 VanDerWaalsContact O-CB 3.29Å; A595-A599 WeakPolarHBondContact O-CB 3.14Å; A595-A599 PolarHBondContact O-N 2.94Å
596F81.7Confident78.4Confident96 Ų9674 Ų7442%0.42139%0.389SS..Hα-helixtrans-66.1-44.8174.1-178.6-102.8000111.9S481 K592 E593 K594 I598 A599 T600S481-F596 WeakPolarHBondContact O-CD2 3.47Å; S481-F596 VanDerWaalsContact O-CE2 3.31Å; S481-F596 WeakPolarHBondContact O-CE2 3.41Å; K592-F596 WeakPolarHBondContact O-CB 2.91Å; K592-F596 PolarHBondContact O-N 3.34Å; E593-F596 WeakPolarHBondContact O-CB 3.41Å; E593-F596 PolarHBondContact O-N 3.26Å; E593-F596 VanDerWaalsContact O-N 3.15Å; K594-F596 VanDerWaalsContact C-N 3.3Å; F596-I598 PolarHBondContact O-N 2.89Å; F596-A599 PolarHBondContact O-N 3.43Å; F596-T600 HydrophobicContact CD1-CG2 4.49Å; F596-T600 HydrophobicContact CE1-CG2 4.1Å; F596-T600 HydrophobicContact CE2-CG2 4.19Å; F596-T600 HydrophobicContact CZ-CG2 3.95Å; F596-T600 WeakPolarHBondContact O-CG2 3.38Å; F596-T600 PolarHBondContact O-N 3.09Å; F596-T600 PolarHBondContact O-OG1 3.48Å
597E82.4Confident79.6Confident121 Ų12179.2 Ų79.257%0.56541%0.412SS*.Hα-helixtrans-60.7-42.1173.9-71.9175.6178.800112E593 K594 T600 S601E593-E597 WeakPolarHBondContact O-CG 3.41Å; E593-E597 PolarHBondContact O-N 2.98Å; K594-E597 PolarHBondContact O-N 2.96Å; E597-T600 WeakPolarHBondContact CA-OG1 3.33Å; E597-T600 PolarHBondContact O-N 3.5Å; E597-T600 PolarHBondContact O-OG1 3.26Å; E597-S601 VanDerWaalsContact O-CB 3.25Å; E597-S601 WeakPolarHBondContact O-CB 3.42Å; E597-S601 PolarHBondContact O-N 3.17Å; E597-S601 PolarHBondContact O-OG 2.59Å
598I82.7Confident80.5Confident34 Ų3475.7 Ų75.717%0.17439%0.392CS..Hα-helixtrans-66.4-43.6176-66.5172.6000110.5V489 V490 K594 A595 F596 T600 S601 R602 F604V489-I598 HydrophobicContact CG1-CD1 4.46Å; V489-I598 HydrophobicContact CG1-CG2 4.24Å; V490-I598 HydrophobicContact CB-CD1 4.46Å; V490-I598 HydrophobicContact CG2-CD1 3.67Å; K594-I598 VanDerWaalsContact O-CG1 3.27Å; K594-I598 WeakPolarHBondContact O-CG1 3.35Å; K594-I598 PolarHBondContact O-N 2.95Å; A595-I598 PolarHBondContact O-N 3.41Å; F596-I598 PolarHBondContact O-N 2.89Å; I598-T600 VanDerWaalsContact C-N 3.26Å; I598-T600 PolarHBondContact O-N 3.27Å; I598-S601 PolarHBondContact O-N 2.94Å; I598-S601 PolarHBondContact O-OG 2.99Å; I598-R602 HydrophobicContact CG2-CB 4.4Å; I598-R602 PolarHBondContact O-N 3.34Å; I598-F604 HydrophobicContact CG2-CE1 3.7Å; I598-F604 HydrophobicContact CG2-CZ 3.95Å
599A81.7Confident81.3Confident34 Ų3476 Ų7628%0.28139%0.386SS..Hα-helixtrans-65.4-29.4-179.900000113.2A595 F596 F604A595-A599 VanDerWaalsContact O-CB 3.29Å; A595-A599 WeakPolarHBondContact O-CB 3.14Å; A595-A599 PolarHBondContact O-N 2.94Å; F596-A599 PolarHBondContact O-N 3.43Å; A599-F604 HydrophobicContact CB-CE2 3.88Å; A599-F604 HydrophobicContact CB-CZ 3.97Å
600T83Confident82Confident99 Ų9976.7 Ų76.761%0.60739%0.385SS*.Hα-helixtrans-83.8-31.3176.149.50000112.9F596 E597 I598F596-T600 HydrophobicContact CD1-CG2 4.49Å; F596-T600 HydrophobicContact CE1-CG2 4.1Å; F596-T600 HydrophobicContact CE2-CG2 4.19Å; F596-T600 HydrophobicContact CZ-CG2 3.95Å; F596-T600 WeakPolarHBondContact O-CG2 3.38Å; F596-T600 PolarHBondContact O-N 3.09Å; F596-T600 PolarHBondContact O-OG1 3.48Å; E597-T600 WeakPolarHBondContact CA-OG1 3.33Å; E597-T600 PolarHBondContact O-N 3.5Å; E597-T600 PolarHBondContact O-OG1 3.26Å; I598-T600 VanDerWaalsContact C-N 3.26Å; I598-T600 PolarHBondContact O-N 3.27Å
601S83.1Confident82.3Confident98 Ų9876.2 Ų76.269%0.68539%0.386SS*.Hα-helixtrans-92.1-31.1-176.759.80000114.9E597 I598E597-S601 VanDerWaalsContact O-CB 3.25Å; E597-S601 WeakPolarHBondContact O-CB 3.42Å; E597-S601 PolarHBondContact O-N 3.17Å; E597-S601 PolarHBondContact O-OG 2.59Å; I598-S601 PolarHBondContact O-N 2.94Å; I598-S601 PolarHBondContact O-OG 2.99Å
602R84.3Confident82.6Confident123 Ų12375.4 Ų75.446%0.46438%0.382SS..  trans-127.1133.4-169.9-178.3174.9175.2-154.9-11.2112.3I598 E608I598-R602 HydrophobicContact CG2-CB 4.4Å; I598-R602 PolarHBondContact O-N 3.34Å; R602-E608 IonicContact CZ-OE1 3.58Å; R602-E608 IonicContact NH1-OE1 3.17Å; R602-E608 PolarHBondContact NH1-OE1 3.02Å; R602-E608 IonicContact NH2-OE1 2.58Å; R602-E608 PolarHBondContact NH2-OE1 3.15Å; R602-E608 IonicContact NH2-OE2 3.17Å
603I83.5Confident83.1Confident161 Ų16180.5 Ų80.583%0.82640%0.401SS*.PPolyproline II helixtrans-76125.4168.4-57.2172.4000108.8
604F83.7Confident83.2Confident19 Ų1981.1 Ų81.18%0.08340%0.402CS..PPolyproline II helixtrans-73.6143.8-179.9-62.6-72.7000112.6I483 V489 I598 A599 E608 F609 M612I483-F604 HydrophobicContact CD1-CD2 3.83Å; I483-F604 HydrophobicContact CD1-CE2 3.52Å; V489-F604 HydrophobicContact CB-CE1 4.4Å; V489-F604 HydrophobicContact CG1-CE1 4.28Å; V489-F604 HydrophobicContact CG2-CD1 4.31Å; V489-F604 HydrophobicContact CG2-CE1 4.03Å; I598-F604 HydrophobicContact CG2-CE1 3.7Å; I598-F604 HydrophobicContact CG2-CZ 3.95Å; A599-F604 HydrophobicContact CB-CE2 3.88Å; A599-F604 HydrophobicContact CB-CZ 3.97Å; F604-E608 WeakPolarHBondContact CA-OE2 3.37Å; F604-E608 HydrophobicContact CB-CB 4.32Å; F604-E608 HydrophobicContact CD1-CB 4.41Å; F604-E608 WeakPolarHBondContact CD1-OE2 3.46Å; F604-F609 HydrophobicContact CB-CD2 4.15Å; F604-F609 HydrophobicContact CB-CE2 3.64Å; F604-F609 HydrophobicContact CB-CZ 3.84Å; F604-F609 HydrophobicContact CD2-CZ 4.36Å; F604-M612 HydrophobicContact CB-CE 4.37Å; F604-M612 HydrophobicContact CD1-CE 4.39Å; F604-M612 HydrophobicContact CD2-CE 4.4Å; F604-M612 HydrophobicContact CG-CE 4.14Å
605T86.8Confident83.3Confident64 Ų6481 Ų8139%0.39340%0.4SS..PPolyproline II helixtrans-80.4161.5173.967.90000111.7E607 E608 F609T605-E607 PolarHBondContact O-N 3.45Å; T605-E608 PolarHBondContact N-OE2 3.07Å; T605-E608 WeakPolarHBondContact O-CB 3Å; T605-E608 PolarHBondContact O-N 3.05Å; T605-E608 VanDerWaalsContact O-N 3.11Å; T605-E608 WeakPolarHBondContact OG1-CG 3.18Å; T605-E608 PolarHBondContact OG1-N 2.98Å; T605-F609 VanDerWaalsContact O-CD2 3.24Å; T605-F609 WeakPolarHBondContact O-CD2 3.48Å; T605-F609 PolarHBondContact O-N 2.96Å
606Q86.8Confident83.1Confident116 Ų11682.7 Ų82.754%0.54241%0.407SS..Hα-helixtrans-57.3-37.3176.5-179.862.919.800112.2F609 E610Q606-F609 PolarHBondContact O-N 3.27Å; Q606-E610 WeakPolarHBondContact O-CG 3.12Å; Q606-E610 PolarHBondContact O-N 3.41Å
607E83.7Confident82.8Confident155 Ų15583 Ų8372%0.72441%0.41SS*.Hα-helixtrans-64.8-39.6175.8-62.7-178.6173.200112.4T605 E610 A611T605-E607 PolarHBondContact O-N 3.45Å; E607-E610 PolarHBondContact O-N 3.24Å; E607-A611 PolarHBondContact O-N 3.47Å
608E84.8Confident82.6Confident32 Ų3280.2 Ų80.215%0.1540%0.402CS..Hα-helixtrans-65.3-39.8175.6-72.2170.3162.400110.9R602 F604 T605 E610 A611 M612R602-E608 IonicContact CZ-OE1 3.58Å; R602-E608 IonicContact NH1-OE1 3.17Å; R602-E608 PolarHBondContact NH1-OE1 3.02Å; R602-E608 IonicContact NH2-OE1 2.58Å; R602-E608 PolarHBondContact NH2-OE1 3.15Å; R602-E608 IonicContact NH2-OE2 3.17Å; F604-E608 WeakPolarHBondContact CA-OE2 3.37Å; F604-E608 HydrophobicContact CB-CB 4.32Å; F604-E608 HydrophobicContact CD1-CB 4.41Å; F604-E608 WeakPolarHBondContact CD1-OE2 3.46Å; T605-E608 PolarHBondContact N-OE2 3.07Å; T605-E608 WeakPolarHBondContact O-CB 3Å; T605-E608 PolarHBondContact O-N 3.05Å; T605-E608 VanDerWaalsContact O-N 3.11Å; T605-E608 WeakPolarHBondContact OG1-CG 3.18Å; T605-E608 PolarHBondContact OG1-N 2.98Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 3.33Å; E608-A611 PolarHBondContact O-N 3Å; E608-M612 WeakPolarHBondContact O-CB 3.34Å; E608-M612 VanDerWaalsContact O-CG 3.32Å; E608-M612 WeakPolarHBondContact O-CG 3.48Å; E608-M612 PolarHBondContact O-N 3.44Å
609F84.9Confident82.2Confident76 Ų7679.9 Ų79.933%0.33340%0.399SS..Hα-helixtrans-62.1-39.2172.5-77.8-68.7000112.8F604 T605 Q606 M612 R613F604-F609 HydrophobicContact CB-CD2 4.15Å; F604-F609 HydrophobicContact CB-CE2 3.64Å; F604-F609 HydrophobicContact CB-CZ 3.84Å; F604-F609 HydrophobicContact CD2-CZ 4.36Å; T605-F609 VanDerWaalsContact O-CD2 3.24Å; T605-F609 WeakPolarHBondContact O-CD2 3.48Å; T605-F609 PolarHBondContact O-N 2.96Å; Q606-F609 PolarHBondContact O-N 3.27Å; F609-M612 HydrophobicContact CB-CE 4.41Å; F609-M612 HydrophobicContact CD1-CE 3.38Å; F609-M612 HydrophobicContact CE1-CE 3.71Å; F609-M612 HydrophobicContact CG-CE 3.95Å; F609-M612 PolarHBondContact O-N 3.44Å; F609-R613 WeakPolarHBondContact O-CG 3.42Å; F609-R613 PolarHBondContact O-N 3.2Å
610E84.9Confident81.5Confident85 Ų8582.3 Ų82.340%0.39740%0.404SS..Hα-helixtrans-66.8-40.7175.1-72.6177.3-166.200112.2Q606 E607 E608 R613 K614Q606-E610 WeakPolarHBondContact O-CG 3.12Å; Q606-E610 PolarHBondContact O-N 3.41Å; E607-E610 PolarHBondContact O-N 3.24Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 3.33Å; E610-R613 PolarHBondContact O-N 3.46Å; E610-K614 WeakPolarHBondContact O-CG 3.31Å; E610-K614 PolarHBondContact O-N 3.11Å
611A83.5Confident81Confident42 Ų4284.7 Ų84.735%0.34741%0.407SS..Hα-helixtrans-61.5-44.8173.600000111.6E607 E608 R613 K614 Y615E607-A611 PolarHBondContact O-N 3.47Å; E608-A611 PolarHBondContact O-N 3Å; A611-R613 VanDerWaalsContact C-N 3.34Å; A611-R613 PolarHBondContact O-N 2.89Å; A611-K614 PolarHBondContact O-N 3.35Å; A611-Y615 PolarHBondContact O-N 2.73Å
612M82.2Confident80.3Confident4 Ų487.1 Ų87.12%0.0240%0.401CS..Hα-helixtrans-56.7-45.5173.9-73.7-170.2-75.200112I483 A486 I488 F604 E608 F609 Y615 Q616I483-M612 HydrophobicContact CG2-SD 4.03Å; A486-M612 HydrophobicContact CB-SD 4.29Å; I488-M612 HydrophobicContact CD1-CB 4.41Å; I488-M612 HydrophobicContact CD1-CG 4.23Å; F604-M612 HydrophobicContact CB-CE 4.37Å; F604-M612 HydrophobicContact CD1-CE 4.39Å; F604-M612 HydrophobicContact CD2-CE 4.4Å; F604-M612 HydrophobicContact CG-CE 4.14Å; E608-M612 WeakPolarHBondContact O-CB 3.34Å; E608-M612 VanDerWaalsContact O-CG 3.32Å; E608-M612 WeakPolarHBondContact O-CG 3.48Å; E608-M612 PolarHBondContact O-N 3.44Å; F609-M612 HydrophobicContact CB-CE 4.41Å; F609-M612 HydrophobicContact CD1-CE 3.38Å; F609-M612 HydrophobicContact CE1-CE 3.71Å; F609-M612 HydrophobicContact CG-CE 3.95Å; F609-M612 PolarHBondContact O-N 3.44Å; M612-Y615 PolarHBondContact O-N 3.11Å; M612-Q616 WeakPolarHBondContact O-CG 3.37Å; M612-Q616 PolarHBondContact O-N 3.49Å
613R80.8Confident79.4Confident136 Ų13684.3 Ų84.351%0.51339%0.392SS..Hα-helixtrans-64.1-46.9176.3-71.5178.1-156.6169.37.1112.5F609 E610 A611 Y615 Q616 Q617F609-R613 WeakPolarHBondContact O-CG 3.42Å; F609-R613 PolarHBondContact O-N 3.2Å; E610-R613 PolarHBondContact O-N 3.46Å; A611-R613 VanDerWaalsContact C-N 3.34Å; A611-R613 PolarHBondContact O-N 2.89Å; R613-Y615 VanDerWaalsContact C-N 3.28Å; R613-Y615 PolarHBondContact O-N 3.5Å; R613-Q616 PolarHBondContact O-N 3.05Å; R613-Q617 WeakPolarHBondContact O-CG 3.28Å; R613-Q617 PolarHBondContact O-N 3.34Å
614K81.3Confident78.5Confident135 Ų13579.6 Ų79.659%0.58738%0.377SS*.Hα-helixtrans-58.2-41.2179.6-76.6177.3-178.6174.60111.5E610 A611 Q617 T618E610-K614 WeakPolarHBondContact O-CG 3.31Å; E610-K614 PolarHBondContact O-N 3.11Å; A611-K614 PolarHBondContact O-N 3.35Å; K614-Q617 PolarHBondContact O-N 3Å; K614-T618 WeakPolarHBondContact O-CB 3.33Å; K614-T618 PolarHBondContact O-N 3.15Å; K614-T618 PolarHBondContact O-OG1 3.27Å
615Y81.6Confident77.4Confident71 Ų7181 Ų8128%0.27839%0.39SS..Hα-helixtrans-67.8-44.2176.1177-104000112.9I488 A611 M612 R613 Q617 T618 K619I488-Y615 HydrophobicContact CD1-CD1 3.44Å; I488-Y615 VanDerWaalsContact CD1-CD1 3.44Å; I488-Y615 HydrophobicContact CD1-CD2 4.11Å; I488-Y615 HydrophobicContact CD1-CE1 4.34Å; I488-Y615 HydrophobicContact CD1-CG 3.28Å; I488-Y615 HydrophobicContact CG1-CD1 3.51Å; I488-Y615 HydrophobicContact CG1-CD2 3.72Å; I488-Y615 HydrophobicContact CG1-CE1 3.97Å; I488-Y615 HydrophobicContact CG1-CE2 4.18Å; I488-Y615 HydrophobicContact CG1-CG 3.36Å; A611-Y615 PolarHBondContact O-N 2.73Å; M612-Y615 PolarHBondContact O-N 3.11Å; R613-Y615 VanDerWaalsContact C-N 3.28Å; R613-Y615 PolarHBondContact O-N 3.5Å; Y615-Q617 VanDerWaalsContact C-N 3.31Å; Y615-Q617 PolarHBondContact O-N 3.24Å; Y615-T618 CarbonylContact O-C 3.6Å; Y615-T618 WeakPolarHBondContact O-CB 3.29Å; Y615-T618 PolarHBondContact O-N 3.45Å; Y615-T618 VanDerWaalsContact O-N 3.14Å; Y615-K619 WeakPolarHBondContact O-CB 3.39Å; Y615-K619 PolarHBondContact O-N 2.59Å
616Q78.1Confident76Confident35 Ų3585.9 Ų85.916%0.16440%0.402CS..Hα-helixtrans-59.3-43.7175.1-72.6178.819.100111.6P484 M612 R613 T618 K619 Q620P484-Q616 VanDerWaalsContact C-NE2 3.35Å; P484-Q616 PolarHBondContact O-NE2 3.46Å; M612-Q616 WeakPolarHBondContact O-CG 3.37Å; M612-Q616 PolarHBondContact O-N 3.49Å; R613-Q616 PolarHBondContact O-N 3.05Å; Q616-T618 VanDerWaalsContact C-N 3.32Å; Q616-T618 PolarHBondContact O-N 2.9Å; Q616-K619 WeakPolarHBondContact O-CB 3.44Å; Q616-K619 PolarHBondContact O-N 2.98Å; Q616-Q620 WeakPolarHBondContact O-CG 3.45Å; Q616-Q620 PolarHBondContact O-N 3.36Å
617Q76Confident74.3Confident102 Ų10284.7 Ų84.748%0.47741%0.406SS..Hα-helixtrans-60.8-42.7174.6-72.51790.700111.5R613 K614 Y615 K619 Q620 K621R613-Q617 WeakPolarHBondContact O-CG 3.28Å; R613-Q617 PolarHBondContact O-N 3.34Å; K614-Q617 PolarHBondContact O-N 3Å; Y615-Q617 VanDerWaalsContact C-N 3.31Å; Y615-Q617 PolarHBondContact O-N 3.24Å; Q617-K619 VanDerWaalsContact C-N 3.34Å; Q617-K619 PolarHBondContact O-N 3.27Å; Q617-Q620 PolarHBondContact O-N 3.02Å; Q617-K621 WeakPolarHBondContact O-CB 3.38Å; Q617-K621 WeakPolarHBondContact O-CG 3.46Å; Q617-K621 PolarHBondContact O-N 3.46Å
618T76.7Confident72.6Confident64 Ų6481.3 Ų81.339%0.39340%0.4SS..Hα-helixtrans-62.7-41.4176.4-56.50000111.2K614 Y615 Q616 K621 R622K614-T618 WeakPolarHBondContact O-CB 3.33Å; K614-T618 PolarHBondContact O-N 3.15Å; K614-T618 PolarHBondContact O-OG1 3.27Å; Y615-T618 CarbonylContact O-C 3.6Å; Y615-T618 WeakPolarHBondContact O-CB 3.29Å; Y615-T618 PolarHBondContact O-N 3.45Å; Y615-T618 VanDerWaalsContact O-N 3.14Å; Q616-T618 VanDerWaalsContact C-N 3.32Å; Q616-T618 PolarHBondContact O-N 2.9Å; T618-K621 PolarHBondContact O-N 2.9Å; T618-R622 WeakPolarHBondContact O-CB 3.48Å; T618-R622 VanDerWaalsContact O-CG 3.32Å; T618-R622 WeakPolarHBondContact O-CG 3.38Å; T618-R622 PolarHBondContact O-N 3.1Å
619K74.4Confident70.8Confident26 Ų2686 Ų8611%0.11343%0.425CS..Hα-helixtrans-61.3-43.6175.6-165.1172.1-169.4168.50111.5E456 D460 Y615 Q616 Q617 F623E456-K619 HydrophobicContact CB-CG 4.4Å; E456-K619 WeakPolarHBondContact OE1-CE 3.33Å; E456-K619 IonicContact OE1-NZ 2.95Å; E456-K619 WeakPolarHBondContact OE2-CE 3.48Å; D460-K619 IonicContact OD2-NZ 3.61Å; D460-K619 PolarHBondContact OD2-NZ 3.33Å; Y615-K619 WeakPolarHBondContact O-CB 3.39Å; Y615-K619 PolarHBondContact O-N 2.59Å; Q616-K619 WeakPolarHBondContact O-CB 3.44Å; Q616-K619 PolarHBondContact O-N 2.98Å; Q617-K619 VanDerWaalsContact C-N 3.34Å; Q617-K619 PolarHBondContact O-N 3.27Å; K619-F623 PolarHBondContact O-N 3.13Å; K619-F623 VanDerWaalsContact O-N 3.13Å
620Q68.3Low68.9Low85 Ų8592.5 Ų92.540%0.39745%0.447SS..Hα-helixtrans-65.7-44.3174.9-69.6177.919.800112.6Q616 Q617 R622 F623 A624Q616-Q620 WeakPolarHBondContact O-CG 3.45Å; Q616-Q620 PolarHBondContact O-N 3.36Å; Q617-Q620 PolarHBondContact O-N 3.02Å; Q620-R622 PolarHBondContact O-N 3.41Å; Q620-F623 WeakPolarHBondContact O-CB 3.48Å; Q620-F623 PolarHBondContact O-N 2.91Å; Q620-A624 PolarHBondContact O-N 3.42Å
621K72.6Confident66.7Low150 Ų15095.3 Ų95.365%0.65247%0.465SS*.Hα-helixtrans-61.6-42.4177.1-75.2-179.5-179-176.10111.8Q617 T618 F623 A624 S625Q617-K621 WeakPolarHBondContact O-CB 3.38Å; Q617-K621 WeakPolarHBondContact O-CG 3.46Å; Q617-K621 PolarHBondContact O-N 3.46Å; T618-K621 PolarHBondContact O-N 2.9Å; K621-F623 VanDerWaalsContact C-N 3.33Å; K621-F623 PolarHBondContact O-N 2.79Å; K621-A624 PolarHBondContact O-N 3.43Å; K621-S625 PolarHBondContact O-N 3.17Å; K621-S625 PolarHBondContact O-OG 3.21Å
622R68.4Low64.4Low148 Ų148102.7 Ų102.756%0.55849%0.489SS*.Hα-helixtrans-58.2-45.1173.6-76.5177.3178.7179.20.6111.5T618 Q620 A624 S625 Y626T618-R622 WeakPolarHBondContact O-CB 3.48Å; T618-R622 VanDerWaalsContact O-CG 3.32Å; T618-R622 WeakPolarHBondContact O-CG 3.38Å; T618-R622 PolarHBondContact O-N 3.1Å; Q620-R622 PolarHBondContact O-N 3.41Å; R622-A624 VanDerWaalsContact C-N 3.33Å; R622-A624 PolarHBondContact O-N 2.99Å; R622-S625 PolarHBondContact O-N 2.64Å; R622-S625 PolarHBondContact O-OG 3.38Å; R622-Y626 WeakPolarHBondContact O-CD2 3.45Å; R622-Y626 PolarHBondContact O-N 3.07Å
623F63.9Low62Low64 Ų64110.9 Ų110.928%0.28153%0.527SS..Hα-helixtrans-62.3-40.3177.1-172.6-97000112.4R453 L454 T455 K619 Q620 K621R453-F623 HydrophobicContact CB-CZ 3.97Å; R453-F623 WeakPolarHBondContact O-CZ 3.39Å; L454-F623 WeakPolarHBondContact O-CE2 3.14Å; L454-F623 WeakPolarHBondContact O-CZ 3.35Å; T455-F623 HydrophobicContact CG2-CB 4.25Å; T455-F623 HydrophobicContact CG2-CD1 3.93Å; T455-F623 HydrophobicContact CG2-CD2 4.47Å; T455-F623 HydrophobicContact CG2-CE1 4.42Å; T455-F623 HydrophobicContact CG2-CG 3.95Å; K619-F623 PolarHBondContact O-N 3.13Å; K619-F623 VanDerWaalsContact O-N 3.13Å; Q620-F623 WeakPolarHBondContact O-CB 3.48Å; Q620-F623 PolarHBondContact O-N 2.91Å; K621-F623 VanDerWaalsContact C-N 3.33Å; K621-F623 PolarHBondContact O-N 2.79Å
624A65.4Low59.7Low62 Ų62112.8 Ų112.851%0.51254%0.542SS..Hα-helixtrans-65.8-40.9176.100000112.7Q620 K621 R622 Y626 S627Q620-A624 PolarHBondContact O-N 3.42Å; K621-A624 PolarHBondContact O-N 3.43Å; R622-A624 VanDerWaalsContact C-N 3.33Å; R622-A624 PolarHBondContact O-N 2.99Å; A624-Y626 PolarHBondContact O-N 3.33Å; A624-S627 WeakPolarHBondContact O-CB 3.23Å; A624-S627 PolarHBondContact O-N 2.58Å; A624-S627 VanDerWaalsContact O-N 3.1Å
625S60.4Low57.4Low50 Ų50113.8 Ų113.835%0.3555%0.552SS.*Hα-helixtrans-64.4-39.2-179.159.40000112.4K621 R622 S627 S628 L629K621-S625 PolarHBondContact O-N 3.17Å; K621-S625 PolarHBondContact O-OG 3.21Å; R622-S625 PolarHBondContact O-N 2.64Å; R622-S625 PolarHBondContact O-OG 3.38Å; S625-S627 PolarHBondContact O-N 3.39Å; S625-S627 VanDerWaalsContact O-N 3.12Å; S625-S628 PolarHBondContact O-N 3.48Å; S625-S628 PolarHBondContact O-OG 2.81Å; S625-L629 WeakPolarHBondContact O-CD1 3.22Å; S625-L629 PolarHBondContact O-N 3.45Å
626Y57.5Low54.9Low166 Ų166117.4 Ų117.465%0.65158%0.576SS**Hα-helixtrans-59.6-22.8174.6-74.4-66.4000113.7R622 A624R622-Y626 WeakPolarHBondContact O-CD2 3.45Å; R622-Y626 PolarHBondContact O-N 3.07Å; A624-Y626 PolarHBondContact O-N 3.33Å
627S50Low52.6Low90 Ų90122.5 Ų122.563%0.62960%0.604SS**Hα-helixtrans-79.2-24.1175.2-168.40000113.4A624 S625A624-S627 WeakPolarHBondContact O-CB 3.23Å; A624-S627 PolarHBondContact O-N 2.58Å; A624-S627 VanDerWaalsContact O-N 3.1Å; S625-S627 PolarHBondContact O-N 3.39Å; S625-S627 VanDerWaalsContact O-N 3.12Å
628S49.5Very low50.3Low84 Ų84122.8 Ų122.859%0.58762%0.618SS**Hα-helixtrans-87.8-28.1-177.769.40000113.5S625 R630S625-S628 PolarHBondContact O-N 3.48Å; S625-S628 PolarHBondContact O-OG 2.81Å; S628-R630 VanDerWaalsContact C-N 3.32Å; S628-R630 PolarHBondContact O-N 3.08Å
629L46.9Very low48.1Very low131 Ų131127.6 Ų127.669%0.68664%0.641SS**THydrogen-bonded Turntrans-76.2-8.4-169.6-78149.6000115.3S625S625-L629 WeakPolarHBondContact O-CD1 3.22Å; S625-L629 PolarHBondContact O-N 3.45Å
630R44.2Very low45.8Very low213 Ų213130.6 Ų130.680%0.80467%0.665SS**THydrogen-bonded Turntrans-107.4-4.1-175.5-107-174.9178.4-168.51.3116.4S628S628-R630 VanDerWaalsContact C-N 3.32Å; S628-R630 PolarHBondContact O-N 3.08Å
631N38.5Very low44Very low143 Ų143136.6 Ų136.677%0.76569%0.686SS**  trans-116.832-175.1-80.88.2000114.1H633N631-H633 PolarHBondContact O-N 3.13Å
632K35.3Very low41.9Very low198 Ų198137.3 Ų137.386%0.86169%0.689SS**  trans-84.214.7178.3-141.2177.7-177.8-177.30114.6
633H32Very low39.9Very low175 Ų175136.3 Ų136.381%0.8169%0.694SS**SBendtrans-128122.5171.2-82.5-44.5000111.4N631N631-H633 PolarHBondContact O-N 3.13Å
634Q31.5Very low38.3Very low177 Ų177137.9 Ų137.983%0.82771%0.708SS**  trans67.4107.3168.9-61179.819.400116
635I33.1Very low36.5Very low155 Ų155140.8 Ų140.880%0.79572%0.715SS**  172.2101.2108.5-80.8152.3000106.1
636D29.6Very low35.1Very low147 Ų147144.1 Ų144.179%0.78673%0.734SS**  trans-56.9144.7152.3-75.8-47.1000109.6
637N30.6Very low33.7Very low142 Ų142143 Ų14376%0.75974%0.739SS**SBendtrans105.7100.7170.8-56.2-42.9000116.3
638S27.2Very low32.9Very low108 Ų108144.2 Ų144.276%0.75574%0.738SS**  trans55.284.6141.265.10000117.6
639D29.7Very low31.9Very low166 Ų166148.8 Ų148.889%0.88875%0.751SS**  -167.8143.7125.9-107.5-26.1000114Y641D639-Y641 PolarHBondContact O-N 2.91Å
640S27.7Very low31Very low88 Ų88148.9 Ų148.962%0.61575%0.752SS**  trans-50.9109-168.863.20000115.7
641Y30.2Very low30.1Very low212 Ų212142.4 Ų142.483%0.83175%0.751SS**  trans-86.8103.3155.4-160.7-98.3000108.4D639 I643D639-Y641 PolarHBondContact O-N 2.91Å; Y641-I643 HydrophobicContact CD1-CG1 4.02Å; Y641-I643 HydrophobicContact CE1-CG1 4.38Å; Y641-I643 PolarHBondContact O-N 3.15Å; Y641-I643 VanDerWaalsContact O-N 3.14Å
642F27.2Very low29.6Very low164 Ų164139.4 Ų139.472%0.71974%0.738SS**  trans-77.996.7174.6-160.5-84.7000107.8V644F642-V644 VanDerWaalsContact C-N 3.34Å; F642-V644 HydrophobicContact CD1-CB 4.24Å; F642-V644 HydrophobicContact CD1-CG2 3.4Å; F642-V644 VanDerWaalsContact CD1-CG2 3.4Å; F642-V644 HydrophobicContact CE1-CB 4.25Å; F642-V644 HydrophobicContact CE1-CG2 3.61Å; F642-V644 PolarHBondContact O-N 2.91Å; F642-V644 VanDerWaalsContact O-N 3.09Å
643I28.1Very low29.1Very low128 Ų128136 Ų13666%0.65673%0.729SS**  trans-62.5101.5156.1-62.4171.1000104.8Y641 D645Y641-I643 HydrophobicContact CD1-CG1 4.02Å; Y641-I643 HydrophobicContact CE1-CG1 4.38Å; Y641-I643 PolarHBondContact O-N 3.15Å; Y641-I643 VanDerWaalsContact O-N 3.14Å; I643-D645 PolarHBondContact O-N 3.43Å
644V29.9Very low28.9Very low97 Ų97132.1 Ų132.159%0.58872%0.718SS**  trans-75.4111.3159.8-173.80000104.1F642 T646F642-V644 VanDerWaalsContact C-N 3.34Å; F642-V644 HydrophobicContact CD1-CB 4.24Å; F642-V644 HydrophobicContact CD1-CG2 3.4Å; F642-V644 VanDerWaalsContact CD1-CG2 3.4Å; F642-V644 HydrophobicContact CE1-CB 4.25Å; F642-V644 HydrophobicContact CE1-CG2 3.61Å; F642-V644 PolarHBondContact O-N 2.91Å; F642-V644 VanDerWaalsContact O-N 3.09Å; V644-T646 PolarHBondContact O-N 2.91Å; V644-T646 PolarHBondContact O-OG1 3.02Å; V644-T646 VanDerWaalsContact O-OG1 3.07Å
645D27.4Very low28.7Very low122 Ų122126.4 Ų126.465%0.65271%0.707SS**  trans-41.7110.1165.1-66.1-41.2000108.5I643 D647I643-D645 PolarHBondContact O-N 3.43Å; D645-D647 PolarHBondContact O-N 3.13Å
646T30.1Very low28.4Very low121 Ų121126.6 Ų126.674%0.74272%0.715SS**  trans-90.543.9178.1-38.10000108.8V644 D648V644-T646 PolarHBondContact O-N 2.91Å; V644-T646 PolarHBondContact O-OG1 3.02Å; V644-T646 VanDerWaalsContact O-OG1 3.07Å; T646-D648 PolarHBondContact O-N 3.36Å
647D29.7Very low28.2Very low142 Ų142122.9 Ų122.976%0.75971%0.711SS**  trans-83.19.7167.5-68.7-15.4000111.4D645 E649D645-D647 PolarHBondContact O-N 3.13Å; D647-E649 PolarHBondContact O-N 2.89Å
648D31.6Very low28.3Very low116 Ų116120.1 Ų120.162%0.6270%0.695SS**  trans-79.570.1159.9-82.5-7.5000108.9T646 D650 K661T646-D648 PolarHBondContact O-N 3.36Å; D648-D650 PolarHBondContact O-N 3.09Å; D648-K661 IonicContact OD2-NZ 2.82Å; D648-K661 PolarHBondContact OD2-NZ 2.85Å
649E28.7Very low28.3Very low180 Ų180121.8 Ų121.884%0.84169%0.691SS**  trans-61.481.2155.6-73.6-162.6151.100108.8D647D647-E649 PolarHBondContact O-N 2.89Å
650D27.8Very low28.5Very low133 Ų133116.3 Ų116.371%0.71166%0.662SS**  trans-164.885.3158.4-91.5-30.3000107.8D648 T652D648-D650 PolarHBondContact O-N 3.09Å; D650-T652 PolarHBondContact O-N 3Å
651G27Very low28.9Very low76 Ų76118.8 Ų118.878%0.78466%0.662SS**  trans-72.2107.917900000112.5
652T26.9Very low29.1Very low80 Ų80113.6 Ų113.649%0.49165%0.648SS.*  trans-132.363.5162.352.70000109.9D650D650-T652 PolarHBondContact O-N 3Å
653N26Very low29.5Very low128 Ų128107.2 Ų107.268%0.68463%0.629SS**  trans-140.155.5179.4-114.4-6.9000112.1
654T26.7Very low30Very low92 Ų92102 Ų10256%0.56460%0.603SS**SBendtrans-171.2113162.537.30000108
655G26.7Very low30.8Very low58 Ų58100.1 Ų100.160%0.59859%0.59SS**SBendtrans126.7124.5172.200000113G657G655-G657 PolarHBondContact O-N 3.39Å
656V28.3Very low31.7Very low159 Ų15995.8 Ų95.896%0.96457%0.574SS**SBendtrans-42.3101.7165.9178.80000109.5
657G25.7Very low33Very low69 Ų6995 Ų9571%0.71157%0.566SS**  trans140.151.1-172.500000113.3G655 Q659G655-G657 PolarHBondContact O-N 3.39Å; G657-Q659 PolarHBondContact O-N 3.21Å; G657-Q659 VanDerWaalsContact O-N 3.1Å
658I32.4Very low34.8Very low83 Ų8389.9 Ų89.943%0.42654%0.538SS..  trans-8394.5-171.3-57.9174.3000109.8N660 G666I658-N660 PolarHBondContact O-N 3.18Å; I658-G666 WeakPolarHBondContact O-CA 3.49Å
659Q26.9Very low36.7Very low144 Ų14484.7 Ų84.767%0.67351%0.511SS*.  trans-60.9106.3153.5-66.7-176.43800106.9G657G657-Q659 PolarHBondContact O-N 3.21Å; G657-Q659 VanDerWaalsContact O-N 3.1Å
660N34.9Very low38.8Very low50 Ų5077.2 Ų77.227%0.26748%0.478SS..  trans-57.9144171.1-71.3-37.9000108I658 D662 G663I658-N660 PolarHBondContact O-N 3.18Å; N660-D662 PolarHBondContact O-N 3.04Å; N660-G663 PolarHBondContact O-N 2.96Å
661K35.8Very low41.4Very low141 Ų14173.4 Ų73.461%0.61346%0.457SS*.THydrogen-bonded Turntrans-49-15.6174.8-77.8-173.1169.8-172.10113.7D648D648-K661 IonicContact OD2-NZ 2.82Å; D648-K661 PolarHBondContact OD2-NZ 2.85Å
662D34Very low43.9Very low102 Ų10272.5 Ų72.555%0.54544%0.438SS..THydrogen-bonded Turntrans-82.30.7175.7-64-21.8000114.8N660 S664 S672N660-D662 PolarHBondContact O-N 3.04Å; D662-S664 PolarHBondContact O-N 3.04Å; D662-S672 PolarHBondContact OD2-OG 3.36Å
663G34.8Very low46.5Very low30 Ų3069.6 Ų69.631%0.30942%0.422SS..  trans70.94.4-176.500000114.4N660N660-G663 PolarHBondContact O-N 2.96Å
664S39.7Very low49.3Very low18 Ų1863.5 Ų63.513%0.12639%0.39CS..  trans-70.3127.4172.31800000109.5D662 G666D662-S664 PolarHBondContact O-N 3.04Å; S664-G666 PolarHBondContact O-N 3.1Å
665L46.1Very low51.9Low58 Ų5861.9 Ų61.930%0.30438%0.38SS..  trans-49.2129.4169.4-67.3165.5000109L280 F283 N667 L668L280-L665 HydrophobicContact CD2-CD1 4.43Å; L280-L665 HydrophobicContact CD2-CD2 4.39Å; F283-L665 HydrophobicContact CB-CD1 3.64Å; F283-L665 HydrophobicContact CD1-CD1 3.52Å; F283-L665 HydrophobicContact CD2-CD1 3.89Å; F283-L665 HydrophobicContact CE1-CD1 4.09Å; F283-L665 HydrophobicContact CE2-CD1 4.43Å; F283-L665 HydrophobicContact CG-CD1 3.39Å; L665-N667 PolarHBondContact O-N 2.86Å; L665-L668 PolarHBondContact O-N 3.09Å; L665-L668 VanDerWaalsContact O-N 3.08Å
666G46.4Very low54Low32 Ų3267 Ų6733%0.3338%0.381SS..THydrogen-bonded Turntrans-59.2-5.3-16000000118.5I658 S664I658-G666 WeakPolarHBondContact O-CA 3.49Å; S664-G666 PolarHBondContact O-N 3.1Å
667N57.2Low55.9Low105 Ų10563.1 Ų63.156%0.56136%0.355SS*.THydrogen-bonded Turntrans-89.4-24.4177.7-70.5-0.6000113.2L326 R403 L665L326-N667 HydrophobicContact CD2-CB 4.04Å; R403-N667 PolarHBondContact NH2-O 3.31Å; L665-N667 PolarHBondContact O-N 2.86Å
668L67.5Low57.7Low34 Ų3463.9 Ų63.918%0.17835%0.346CS..SBendtrans-85.4123.6-178.3-66.8171.8000111.1R322 L665 S670R322-L668 HydrophobicContact CB-CD2 4.46Å; R322-L668 HydrophobicContact CG-CD2 3.81Å; L665-L668 PolarHBondContact O-N 3.09Å; L665-L668 VanDerWaalsContact O-N 3.08Å; L668-S670 PolarHBondContact O-N 3Å
669V70.7Confident59Low7 Ų764.2 Ų64.24%0.04234%0.344CS..PPolyproline II helixtrans-66.1130.8170.1-1700000108.6L354 A357 Q358 E399 A673 I674L354-V669 HydrophobicContact CD1-CB 3.52Å; L354-V669 HydrophobicContact CD1-CG1 3.37Å; A357-V669 HydrophobicContact CB-CG2 4.04Å; Q358-V669 HydrophobicContact CG-CB 3.76Å; Q358-V669 HydrophobicContact CG-CG2 3.68Å; Q358-V669 PolarHBondContact NE2-O 3.15Å; Q358-V669 VanDerWaalsContact NE2-O 3.1Å; E399-V669 HydrophobicContact CG-CG1 4.27Å; V669-A673 HydrophobicContact CG1-CB 4.32Å; V669-I674 HydrophobicContact CG1-CD1 4.48Å
670S74.5Confident60.5Low23 Ų2368.4 Ų68.416%0.16135%0.353CS..PPolyproline II helixtrans-85.7145.4171.963.10000111L668 S672 A673L668-S670 PolarHBondContact O-N 3Å; S670-S672 WeakPolarHBondContact CB-OG 3.5Å; S670-S672 PolarHBondContact O-N 3.35Å; S670-S672 PolarHBondContact OG-OG 3.26Å; S670-A673 WeakPolarHBondContact O-CB 3.2Å; S670-A673 PolarHBondContact O-N 3.22Å
671M80.9Confident61.6Low52 Ų5271.2 Ų71.226%0.25637%0.374SS..Hα-helixtrans-58.2-29.4174.8-77.7-60.9-59.900112.8H351 L354 A673 I674 T675H351-M671 WeakPolarHBondContact ND1-CE 3.44Å; H351-M671 PolarHBondContact ND1-SD 3.39Å; L354-M671 HydrophobicContact CB-SD 3.75Å; L354-M671 HydrophobicContact CD1-SD 4.17Å; L354-M671 HydrophobicContact CD2-CG 3.83Å; L354-M671 HydrophobicContact CD2-SD 3.28Å; L354-M671 WeakPolarHBondContact CD2-SD 3.31Å; L354-M671 HydrophobicContact CG-SD 3.9Å; M671-A673 VanDerWaalsContact C-N 3.25Å; M671-A673 PolarHBondContact O-N 3.15Å; M671-I674 PolarHBondContact O-N 3.06Å; M671-T675 HydrophobicContact CE-CG2 4.34Å; M671-T675 PolarHBondContact O-N 3.3Å; M671-T675 VanDerWaalsContact O-N 3.11Å; M671-T675 PolarHBondContact O-OG1 2.99Å
672S80.3Confident62.9Low57 Ų5772.5 Ų72.540%0.39938%0.382SS..Hα-helixtrans-63.7-30176.853.80000112.2D662 S670 R676D662-S672 PolarHBondContact OD2-OG 3.36Å; S670-S672 WeakPolarHBondContact CB-OG 3.5Å; S670-S672 PolarHBondContact O-N 3.35Å; S670-S672 PolarHBondContact OG-OG 3.26Å; S672-R676 WeakPolarHBondContact O-CA 3.5Å; S672-R676 VanDerWaalsContact O-CB 3.26Å; S672-R676 WeakPolarHBondContact O-CB 3.48Å; S672-R676 PolarHBondContact O-N 2.98Å; S672-R676 VanDerWaalsContact O-N 3.08Å
673A81.1Confident64.5Low19 Ų1973 Ų7316%0.15738%0.381CS..Hα-helixtrans-67.3-36.6178.600000112.6E399 V669 S670 M671E399-A673 HydrophobicContact CG-CB 4.35Å; V669-A673 HydrophobicContact CG1-CB 4.32Å; S670-A673 WeakPolarHBondContact O-CB 3.2Å; S670-A673 PolarHBondContact O-N 3.22Å; M671-A673 VanDerWaalsContact C-N 3.25Å; M671-A673 PolarHBondContact O-N 3.15Å
674I84.6Confident66.7Low0 Ų075.1 Ų75.10%039%0.389CS..Hα-helixtrans-81.5-44.5179.9-67.3177.8000111.4L354 V392 N395 S396 V669 M671 R676L354-I674 HydrophobicContact CB-CD1 3.73Å; L354-I674 HydrophobicContact CD1-CD1 3.59Å; L354-I674 HydrophobicContact CD1-CG1 4.42Å; L354-I674 HydrophobicContact CG-CD1 4.31Å; V392-I674 HydrophobicContact CG1-CG2 3.83Å; N395-I674 WeakPolarHBondContact CB-O 3.28Å; N395-I674 PolarHBondContact ND2-O 3.42Å; S396-I674 WeakPolarHBondContact OG-CG2 3.3Å; V669-I674 HydrophobicContact CG1-CD1 4.48Å; M671-I674 PolarHBondContact O-N 3.06Å; I674-R676 VanDerWaalsContact C-N 3.26Å; I674-R676 PolarHBondContact O-N 3.1Å
675T81.8Confident68.7Low58 Ų5882.1 Ų82.136%0.35642%0.417SS..SBendtrans-85.46.5-176.557.90000113.6T350 M671 L677T350-T675 HydrophobicContact CG2-CG2 4.24Å; M671-T675 HydrophobicContact CE-CG2 4.34Å; M671-T675 PolarHBondContact O-N 3.3Å; M671-T675 VanDerWaalsContact O-N 3.11Å; M671-T675 PolarHBondContact O-OG1 2.99Å; T675-L677 PolarHBondContact O-N 3.49Å
676R71.2Confident70.5Confident165 Ų16582.5 Ų82.562%0.62343%0.428SS*.  trans-57.3111-173.4-167.4175.9177.5178.6-0.3111.6S672 I674S672-R676 WeakPolarHBondContact O-CA 3.5Å; S672-R676 VanDerWaalsContact O-CB 3.26Å; S672-R676 WeakPolarHBondContact O-CB 3.48Å; S672-R676 PolarHBondContact O-N 2.98Å; S672-R676 VanDerWaalsContact O-N 3.08Å; I674-R676 VanDerWaalsContact C-N 3.26Å; I674-R676 PolarHBondContact O-N 3.1Å
677L68.2Low72.2Confident78 Ų7884.3 Ų84.341%0.40843%0.43SS..  trans-97.5120.1166.4-57.3175.7000108N426 T675N426-L677 HydrophobicContact CB-CD2 4.42Å; T675-L677 PolarHBondContact O-N 3.49Å
678V63.4Low73.4Confident86 Ų8685.9 Ų85.952%0.52143%0.428SS..SBendtrans-73.1-36.2-178.1174.30000111.2N426 A429N426-V678 PolarHBondContact OD1-N 3.32Å; A429-V678 HydrophobicContact CB-CB 4.29Å; A429-V678 HydrophobicContact CB-CG2 3.52Å
679K59.7Low74.1Confident90 Ų9088.1 Ų88.139%0.39144%0.439SS..SBendtrans-102125170.7-76-166.9163.7-162.30110.4K425 N426K425-K679 HydrophobicContact CB-CD 4.38Å; K425-K679 HydrophobicContact CD-CD 3.76Å; N426-K679 PolarHBondContact OD1-N 3.4Å; N426-K679 VanDerWaalsContact OD1-N 3.09Å
680R57.5Low74.9Confident231 Ų23193.2 Ų93.287%0.87246%0.462SS*.PPolyproline II helixtrans-56.1133.9160.8-67.4-175.1179.2178.32107.6H682R680-H682 PolarHBondContact O-N 3.16Å
681P59.4Low75.3Confident109 Ų10995.1 Ų95.171%0.70848%0.476SS*.PPolyproline II helixtrans-55.4139.6174.823-31.4000109.1Q683P681-Q683 PolarHBondContact O-N 3.23Å
682H61.3Low75.5Confident168 Ų16896.1 Ų96.178%0.77848%0.481SS*.PPolyproline II helixtrans-61.1129.8173-76.6-78.2000108.5R680 T684R680-H682 PolarHBondContact O-N 3.16Å; H682-T684 PolarHBondContact O-N 3.32Å
683Q69.3Low75.5Confident112 Ų11298.4 Ų98.452%0.52349%0.486SS..PPolyproline II helixtrans-56.2128.1175-73.2178-7.400109.6P681 D687 R688P681-Q683 PolarHBondContact O-N 3.23Å; Q683-D687 HydrophobicContact CB-CB 4.14Å; Q683-D687 HydrophobicContact CG-CB 4.46Å; Q683-R688 HydrophobicContact CB-CG 3.86Å
684T80.2Confident75.7Confident76 Ų76103.8 Ų103.847%0.46651%0.507SS..PPolyproline II helixtrans-62.1161.1174.163.90000109.6H682 A686 D687 R688H682-T684 PolarHBondContact O-N 3.32Å; T684-A686 PolarHBondContact O-N 3.16Å; T684-D687 PolarHBondContact N-OD2 2.97Å; T684-D687 PolarHBondContact O-N 3.16Å; T684-D687 PolarHBondContact OG1-N 2.83Å; T684-D687 PolarHBondContact OG1-OD1 3.28Å; T684-D687 PolarHBondContact OG1-OD2 3.05Å; T684-R688 PolarHBondContact O-N 2.83Å
685K81.6Confident75.5Confident164 Ų164106.4 Ų106.471%0.71353%0.534SS*.Hα-helixtrans-57-33.9175.6-174.1-179.3177.2-175.70110.8M689K685-M689 VanDerWaalsContact O-CG 3.24Å; K685-M689 WeakPolarHBondContact O-CG 3.43Å; K685-M689 PolarHBondContact O-N 2.8Å
686A84.3Confident75.3Confident66 Ų66111.3 Ų111.355%0.54555%0.546SS..Hα-helixtrans-62.7-54.5174.500000111.7T684 R688 M689 E690T684-A686 PolarHBondContact O-N 3.16Å; A686-R688 PolarHBondContact O-N 3.46Å; A686-M689 PolarHBondContact O-N 3.18Å; A686-E690 PolarHBondContact O-N 2.75Å
687D81.4Confident75.5Confident71 Ų71110.4 Ų110.438%0.3855%0.552SS.*Hα-helixtrans-58.4-36.2178.2-49.5-33.7000112.1Q683 T684 S691Q683-D687 HydrophobicContact CB-CB 4.14Å; Q683-D687 HydrophobicContact CG-CB 4.46Å; T684-D687 PolarHBondContact N-OD2 2.97Å; T684-D687 PolarHBondContact O-N 3.16Å; T684-D687 PolarHBondContact OG1-N 2.83Å; T684-D687 PolarHBondContact OG1-OD1 3.28Å; T684-D687 PolarHBondContact OG1-OD2 3.05Å; D687-S691 VanDerWaalsContact O-CB 3.29Å; D687-S691 WeakPolarHBondContact O-CB 3.4Å; D687-S691 PolarHBondContact O-N 2.95Å
688R83.7Confident75.9Confident138 Ų138110.2 Ų110.252%0.52157%0.569SS.*Hα-helixtrans-66.2-43.6174.4-83.4-171.6-77.7157-5.7112.1Q683 T684 A686 I692Q683-R688 HydrophobicContact CB-CG 3.86Å; T684-R688 PolarHBondContact O-N 2.83Å; A686-R688 PolarHBondContact O-N 3.46Å; R688-I692 WeakPolarHBondContact O-CB 3.31Å; R688-I692 VanDerWaalsContact O-CD1 3.3Å; R688-I692 WeakPolarHBondContact O-CD1 3.48Å; R688-I692 WeakPolarHBondContact O-CG1 3.43Å; R688-I692 PolarHBondContact O-N 3.38Å
689M82.2Confident75.9Confident81 Ų81114.6 Ų114.640%0.39958%0.577SS.*Hα-helixtrans-66.6-41.2177.9-72.2-62.3-62.600111.4K685 A686 I692 E693K685-M689 VanDerWaalsContact O-CG 3.24Å; K685-M689 WeakPolarHBondContact O-CG 3.43Å; K685-M689 PolarHBondContact O-N 2.8Å; A686-M689 PolarHBondContact O-N 3.18Å; M689-I692 CarbonylContact O-C 3.56Å; M689-I692 WeakPolarHBondContact O-CB 3.44Å; M689-I692 PolarHBondContact O-N 3Å; M689-E693 WeakPolarHBondContact O-CB 3.38Å; M689-E693 WeakPolarHBondContact O-CG 3.24Å; M689-E693 PolarHBondContact O-N 3.36Å
690E86Confident76.2Confident114 Ų114117.2 Ų117.253%0.53359%0.59SS.*Hα-helixtrans-62.5-47.5174.8-173.7175.2-156.700111.1A686 I692 E693 E694A686-E690 PolarHBondContact O-N 2.75Å; E690-I692 VanDerWaalsContact C-N 3.26Å; E690-I692 PolarHBondContact O-N 2.84Å; E690-E693 PolarHBondContact O-N 2.85Å; E690-E693 VanDerWaalsContact O-N 3.08Å; E690-E694 WeakPolarHBondContact O-CB 3.49Å; E690-E694 WeakPolarHBondContact O-CG 3.39Å; E690-E694 PolarHBondContact O-N 3.33Å
691S83.3Confident76.6Confident63 Ų63116.6 Ų116.644%0.44159%0.594SS.*Hα-helixtrans-60.6-35.4174.7-175.70000112.7D687 G695D687-S691 VanDerWaalsContact O-CB 3.29Å; D687-S691 WeakPolarHBondContact O-CB 3.4Å; D687-S691 PolarHBondContact O-N 2.95Å; S691-G695 PolarHBondContact O-N 2.72Å; S691-G695 VanDerWaalsContact O-N 3.09Å
692I84.5Confident76.6Confident73 Ų73121.3 Ų121.337%0.37460%0.599SS.*Hα-helixtrans-69.6-40.6174.2-72164.1000111.1R688 M689 E690 G695 R696R688-I692 WeakPolarHBondContact O-CB 3.31Å; R688-I692 VanDerWaalsContact O-CD1 3.3Å; R688-I692 WeakPolarHBondContact O-CD1 3.48Å; R688-I692 WeakPolarHBondContact O-CG1 3.43Å; R688-I692 PolarHBondContact O-N 3.38Å; M689-I692 CarbonylContact O-C 3.56Å; M689-I692 WeakPolarHBondContact O-CB 3.44Å; M689-I692 PolarHBondContact O-N 3Å; E690-I692 VanDerWaalsContact C-N 3.26Å; E690-I692 PolarHBondContact O-N 2.84Å; I692-G695 PolarHBondContact O-N 3.28Å; I692-R696 VanDerWaalsContact O-CG 3.25Å; I692-R696 WeakPolarHBondContact O-CG 3.48Å; I692-R696 PolarHBondContact O-N 2.82Å; I692-R696 VanDerWaalsContact O-N 3.1Å
693E81.4Confident76.8Confident105 Ų105116 Ų11649%0.49159%0.59SS.*Hα-helixtrans-67.9-46.5177.9-77.4174.2-17000111.6M689 E690 G695 R696 I697M689-E693 WeakPolarHBondContact O-CB 3.38Å; M689-E693 WeakPolarHBondContact O-CG 3.24Å; M689-E693 PolarHBondContact O-N 3.36Å; E690-E693 PolarHBondContact O-N 2.85Å; E690-E693 VanDerWaalsContact O-N 3.08Å; E693-G695 PolarHBondContact O-N 3.05Å; E693-R696 WeakPolarHBondContact O-CA 3.27Å; E693-R696 WeakPolarHBondContact O-CB 3.17Å; E693-R696 PolarHBondContact O-N 3.42Å; E693-I697 WeakPolarHBondContact O-CG1 3.32Å; E693-I697 PolarHBondContact O-N 3.14Å; E693-I697 VanDerWaalsContact O-N 3.08Å
694E84Confident76.5Confident131 Ų131119.3 Ų119.361%0.61260%0.603SS**Hα-helixtrans-54.9-40.4171-73.8-172.7158.900111.6E690 R696E690-E694 WeakPolarHBondContact O-CB 3.49Å; E690-E694 WeakPolarHBondContact O-CG 3.39Å; E690-E694 PolarHBondContact O-N 3.33Å; E694-R696 VanDerWaalsContact C-N 3.29Å; E694-R696 PolarHBondContact O-N 2.99Å
695G81.1Confident75.6Confident55 Ų55122.3 Ų122.357%0.56761%0.609SS**Hα-helixtrans-70.7-18.2175.200000115S691 I692 E693S691-G695 PolarHBondContact O-N 2.72Å; S691-G695 VanDerWaalsContact O-N 3.09Å; I692-G695 PolarHBondContact O-N 3.28Å; E693-G695 PolarHBondContact O-N 3.05Å
696R77Confident74.7Confident161 Ų161118.3 Ų118.361%0.60860%0.599SS**Hα-helixtrans-92.7-26.7179.9-77.9171.3179.5161.12.1113.1I692 E693 E694 G698 R699I692-R696 VanDerWaalsContact O-CG 3.25Å; I692-R696 WeakPolarHBondContact O-CG 3.48Å; I692-R696 PolarHBondContact O-N 2.82Å; I692-R696 VanDerWaalsContact O-N 3.1Å; E693-R696 WeakPolarHBondContact O-CA 3.27Å; E693-R696 WeakPolarHBondContact O-CB 3.17Å; E693-R696 PolarHBondContact O-N 3.42Å; E694-R696 VanDerWaalsContact C-N 3.29Å; E694-R696 PolarHBondContact O-N 2.99Å; R696-G698 PolarHBondContact O-N 2.97Å; R696-R699 PolarHBondContact O-N 3.33Å
697I76.5Confident73.7Confident146 Ų146122.3 Ų122.375%0.74961%0.61SS**THydrogen-bonded Turntrans-60.5110.8177.5-64.3163.8000109E693E693-I697 WeakPolarHBondContact O-CG1 3.32Å; E693-I697 PolarHBondContact O-N 3.14Å; E693-I697 VanDerWaalsContact O-N 3.08Å
698G75.3Confident72.9Confident74 Ų74123.2 Ų123.276%0.76361%0.609SS**THydrogen-bonded Turntrans97.59.2177.200000117.1R696R696-G698 PolarHBondContact O-N 2.97Å
699R64.7Low72.1Confident179 Ų179125.4 Ų125.468%0.67563%0.63SS**  trans-108136.4175.1-145.1176.2-173.2-170.80.2111.3R696R696-R699 PolarHBondContact O-N 3.33Å
700E65.8Low71.6Confident145 Ų145127.1 Ų127.168%0.67864%0.641SS**PPolyproline II helixtrans-60.6149.5171.3-68.4179.5-175.800110.8Y702 K705E700-Y702 PolarHBondContact O-N 3.35Å; E700-K705 WeakPolarHBondContact OE2-CE 3.45Å; E700-K705 IonicContact OE2-NZ 3.48Å; E700-K705 PolarHBondContact OE2-NZ 3.34Å
701K66.2Low71Confident217 Ų217126.2 Ų126.294%0.94365%0.652SS**PPolyproline II helixtrans-54.2127.7176.1-96-178.5176.2177.80110.2G703K701-G703 PolarHBondContact O-N 3.28Å
702Y58.4Low70.7Confident208 Ų208134 Ų13482%0.81667%0.674SS**PPolyproline II helixtrans-67.5126.7177.4-135.3-95.6000110.2E700E700-Y702 PolarHBondContact O-N 3.35Å
703G66.9Low70.3Confident57 Ų57132.7 Ų132.759%0.58867%0.674SS**SBendtrans172157.3178.100000112.7K701 K705K701-G703 PolarHBondContact O-N 3.28Å; G703-K705 PolarHBondContact O-N 2.97Å
704F62.2Low70.2Confident181 Ų181132.9 Ų132.979%0.79469%0.687SS**  trans-61.8114.5175.9-174.9-93.2000109.8V706F704-V706 HydrophobicContact CD1-CG2 4.3Å; F704-V706 PolarHBondContact O-N 2.98Å
705K62.2Low69.7Low140 Ų140128.8 Ų128.861%0.60967%0.671SS**  trans-71115171.8-75.3-173.8178.4-177.90108.2E700 G703 N707E700-K705 WeakPolarHBondContact OE2-CE 3.45Å; E700-K705 IonicContact OE2-NZ 3.48Å; E700-K705 PolarHBondContact OE2-NZ 3.34Å; G703-K705 PolarHBondContact O-N 2.97Å; K705-N707 PolarHBondContact O-N 3.47Å
706V61.9Low69.7Low80 Ų80130.2 Ų130.249%0.48567%0.669SS.*  trans-71.493.6173.2-179.40000107.2F704 R708F704-V706 HydrophobicContact CD1-CG2 4.3Å; F704-V706 PolarHBondContact O-N 2.98Å; V706-R708 HydrophobicContact CG1-CB 4.11Å; V706-R708 HydrophobicContact CG1-CG 3.59Å; V706-R708 VanDerWaalsContact CG1-CZ 3.44Å; V706-R708 PolarHBondContact O-N 3.04Å
707N62.7Low69.7Low149 Ų149128.4 Ų128.480%0.79767%0.671SS**  trans-72.656.4178-75.3-0.6000111.9K705K705-N707 PolarHBondContact O-N 3.47Å
708R65.1Low69.6Low90 Ų90130.7 Ų130.734%0.3467%0.67SS.*  trans-102.2125.2174.1-66.4178-162.9142.712.9108.6V706 N710 E719V706-R708 HydrophobicContact CG1-CB 4.11Å; V706-R708 HydrophobicContact CG1-CG 3.59Å; V706-R708 VanDerWaalsContact CG1-CZ 3.44Å; V706-R708 PolarHBondContact O-N 3.04Å; R708-N710 PolarHBondContact O-N 3.5Å; R708-E719 IonicContact CZ-OE2 2.67Å; R708-E719 IonicContact NE-OE2 3.78Å; R708-E719 IonicContact NH2-OE2 3.67Å; R708-E719 PolarHBondContact NH2-OE2 3.36Å
709L67.2Low69.7Low184 Ų184130.7 Ų130.796%0.96365%0.65SS**SBendtrans-59.1-31.9175.3-85.899.6000112.2
710N70.9Confident70.2Confident118 Ų118126.8 Ų126.863%0.63164%0.638SS**SBendtrans-110126.4175.2-77.6-17.2000110.7R708 Y712 A713R708-N710 PolarHBondContact O-N 3.5Å; N710-Y712 PolarHBondContact O-N 3.37Å; N710-Y712 VanDerWaalsContact O-N 3.15Å; N710-A713 HydrophobicContact CB-CB 4.38Å; N710-A713 PolarHBondContact O-N 2.92Å
711A74.6Confident70.5Confident94 Ų94124 Ų12478%0.77763%0.628SS**THydrogen-bonded Turntrans-59.5-23.8176.500000113.5
712Y75.2Confident71Confident227 Ų227121.4 Ų121.489%0.8962%0.616SS**THydrogen-bonded Turntrans-101.25.7-175.1-56.5-75.9000115N710 S714N710-Y712 PolarHBondContact O-N 3.37Å; N710-Y712 VanDerWaalsContact O-N 3.15Å; Y712-S714 PolarHBondContact O-N 3.43Å
713A77.5Confident71.7Confident46 Ų46118.7 Ų118.738%0.3862%0.616SS.*PPolyproline II helixtrans-71.3128.6-179.200000112.3N710N710-A713 HydrophobicContact CB-CB 4.38Å; N710-A713 PolarHBondContact O-N 2.92Å
714S78.5Confident72.2Confident109 Ų109120.8 Ų120.876%0.76261%0.609SS**PPolyproline II helixtrans-65.4152.817573.20000112.2Y712Y712-S714 PolarHBondContact O-N 3.43Å
715T74.7Confident73Confident45 Ų45117 Ų11728%0.27660%0.601SS.*PPolyproline II helixtrans-77.3135.7-179.356.50000111.4K720T715-K720 VanDerWaalsContact O-CE 3.28Å; T715-K720 WeakPolarHBondContact O-CE 3.23Å; T715-K720 WeakPolarHBondContact OG1-CE 3.48Å; T715-K720 WeakPolarHBondContact OG1-CG 3.49Å
716T79.4Confident73.8Confident85 Ų85117.6 Ų117.652%0.52160%0.604SS.*PPolyproline II helixtrans-64.3150.117556.30000110.5R718 E719 K720T716-R718 PolarHBondContact O-N 2.87Å; T716-E719 PolarHBondContact O-N 3.23Å; T716-E719 PolarHBondContact OG1-N 3.11Å; T716-K720 PolarHBondContact O-N 3.41Å
717N77.1Confident74.8Confident123 Ų123121.1 Ų121.166%0.65862%0.615SS**Hα-helixtrans-56.6-25.1175.8-78.6-22.3000112.7L721N717-L721 WeakPolarHBondContact O-CB 3.03Å; N717-L721 WeakPolarHBondContact O-CD1 3.31Å; N717-L721 WeakPolarHBondContact O-CG 3.49Å; N717-L721 PolarHBondContact O-N 3.44Å
718R76.1Confident75.6Confident194 Ų194119.9 Ų119.973%0.73261%0.606SS**Hα-helixtrans-70.6-41.4173-168.4177.1165.7-177.3-5.9112.5T716 L721 K722T716-R718 PolarHBondContact O-N 2.87Å; R718-L721 PolarHBondContact O-N 3.26Å; R718-K722 PolarHBondContact O-N 3.02Å
719E75.8Confident76.3Confident73 Ų73117.3 Ų117.334%0.34160%0.6SS.*Hα-helixtrans-67.5-43.2170.2-80.8-172.3167.600111.7R708 T716 L721 K722 N723R708-E719 IonicContact CZ-OE2 2.67Å; R708-E719 IonicContact NE-OE2 3.78Å; R708-E719 IonicContact NH2-OE2 3.67Å; R708-E719 PolarHBondContact NH2-OE2 3.36Å; T716-E719 PolarHBondContact O-N 3.23Å; T716-E719 PolarHBondContact OG1-N 3.11Å; E719-L721 PolarHBondContact O-N 3.14Å; E719-K722 PolarHBondContact O-N 3.14Å; E719-N723 PolarHBondContact O-N 3.22Å
720K76.9Confident77Confident98 Ų98113.2 Ų113.243%0.42657%0.574SS.*Hα-helixtrans-58.3-33.6175.3-67-178.5-179.8174.60111.7T715 T716 K724T715-K720 VanDerWaalsContact O-CE 3.28Å; T715-K720 WeakPolarHBondContact O-CE 3.23Å; T715-K720 WeakPolarHBondContact OG1-CE 3.48Å; T715-K720 WeakPolarHBondContact OG1-CG 3.49Å; T716-K720 PolarHBondContact O-N 3.41Å; K720-K724 WeakPolarHBondContact O-CG 3.46Å
721L72Confident77.2Confident87 Ų87114 Ų11446%0.45557%0.574SS.*Hα-helixtrans-70.1-30.5174.7-86.9160.8000113.4N717 R718 E719 K724N717-L721 WeakPolarHBondContact O-CB 3.03Å; N717-L721 WeakPolarHBondContact O-CD1 3.31Å; N717-L721 WeakPolarHBondContact O-CG 3.49Å; N717-L721 PolarHBondContact O-N 3.44Å; R718-L721 PolarHBondContact O-N 3.26Å; E719-L721 PolarHBondContact O-N 3.14Å; L721-K724 HydrophobicContact CD2-CD 4.38Å
722K74.9Confident77.2Confident162 Ų162117.1 Ų117.170%0.70457%0.57SS**Hα-helixtrans-73.5-31.4177.4-69.7-175.7177.6-172.30112.8R718 E719 K724R718-K722 PolarHBondContact O-N 3.02Å; E719-K722 PolarHBondContact O-N 3.14Å; K722-K724 VanDerWaalsContact C-N 3.33Å
723N73.9Confident77.1Confident150 Ų150111.1 Ų111.180%0.80255%0.552SS**THydrogen-bonded Turntrans-84.4-3.4177-75.84.5000113.8E719E719-N723 PolarHBondContact O-N 3.22Å
724K76.8Confident76.6Confident102 Ų102117.1 Ų117.144%0.44357%0.565SS.*SBendtrans-77129.8176-78.6178-174.5-1670110.1K720 L721 K722 F726 M728 V729K720-K724 WeakPolarHBondContact O-CG 3.46Å; L721-K724 HydrophobicContact CD2-CD 4.38Å; K722-K724 VanDerWaalsContact C-N 3.33Å; K724-F726 PolarHBondContact O-N 3.33Å; K724-M728 HydrophobicContact CB-CE 4.15Å; K724-M728 HydrophobicContact CD-CE 4.22Å; K724-M728 HydrophobicContact CG-CE 3.86Å; K724-V729 HydrophobicContact CB-CG2 4.1Å
725T80.3Confident76Confident101 Ų101122.5 Ų122.562%0.6257%0.569SS**  trans-48.2133.6173.1-44.20000110.7Q727 M728T725-Q727 PolarHBondContact O-N 2.87Å; T725-M728 PolarHBondContact O-N 3.47Å
726F79.4Confident75.4Confident153 Ų153128.5 Ų128.567%0.67159%0.591SS**Hα-helixtrans-50.3-35.8-173.7-179-104.3000113.7K724 M728 V729 K730K724-F726 PolarHBondContact O-N 3.33Å; F726-M728 VanDerWaalsContact C-N 3.28Å; F726-M728 PolarHBondContact O-N 2.96Å; F726-V729 PolarHBondContact O-N 3.44Å; F726-K730 PolarHBondContact O-N 3.21Å
727Q82.8Confident74.8Confident154 Ų154128.1 Ų128.172%0.7260%0.596SS**Hα-helixtrans-55.7-37.4175.8-72.7-166.3-7.800113.5T725 V729T725-Q727 PolarHBondContact O-N 2.87Å; Q727-V729 VanDerWaalsContact C-N 3.31Å; Q727-V729 PolarHBondContact O-N 3.35Å
728M79.6Confident74.3Confident123 Ų123131.1 Ų131.161%0.60660%0.603SS**Hα-helixtrans-72.3-21.5177.7-82.6-152.1-73.500113.7K724 T725 F726K724-M728 HydrophobicContact CB-CE 4.15Å; K724-M728 HydrophobicContact CD-CE 4.22Å; K724-M728 HydrophobicContact CG-CE 3.86Å; T725-M728 PolarHBondContact O-N 3.47Å; F726-M728 VanDerWaalsContact C-N 3.28Å; F726-M728 PolarHBondContact O-N 2.96Å
729V79.7Confident74.1Confident36 Ų36128.6 Ų128.622%0.21859%0.594CS.*Hα-helixtrans-97.6-21.2-176.6-168.40000111.8K724 F726 Q727 H731 K732 I733K724-V729 HydrophobicContact CB-CG2 4.1Å; F726-V729 PolarHBondContact O-N 3.44Å; Q727-V729 VanDerWaalsContact C-N 3.31Å; Q727-V729 PolarHBondContact O-N 3.35Å; V729-H731 VanDerWaalsContact C-N 3.3Å; V729-H731 PolarHBondContact O-N 3.34Å; V729-H731 VanDerWaalsContact O-N 3.13Å; V729-K732 PolarHBondContact O-N 3.03Å; V729-I733 HydrophobicContact CG1-CD1 3.96Å; V729-I733 HydrophobicContact CG1-CG1 4.19Å; V729-I733 PolarHBondContact O-N 3.06Å
730K80Confident74.3Confident97 Ų97127.9 Ų127.942%0.42260%0.597SS.*Hα-helixtrans-44.7-46.7-178.4-178.2176.3179.3176.20114F726 K732 I733 R734F726-K730 PolarHBondContact O-N 3.21Å; K730-K732 PolarHBondContact O-N 3.29Å; K730-I733 PolarHBondContact O-N 3.42Å; K730-R734 PolarHBondContact O-N 3.27Å
731H76.5Confident74.6Confident136 Ų136131.1 Ų131.163%0.6361%0.611SS**Hα-helixtrans-69.6-31.8-175.6-52.8-75.3000113.6V729V729-H731 VanDerWaalsContact C-N 3.3Å; V729-H731 PolarHBondContact O-N 3.34Å; V729-H731 VanDerWaalsContact O-N 3.13Å
732K74.8Confident75.1Confident159 Ų159133.7 Ų133.769%0.69162%0.621SS**Hα-helixtrans-74.6-30.7178.3-71.2-172.2178.2-174.20112V729 K730V729-K732 PolarHBondContact O-N 3.03Å; K730-K732 PolarHBondContact O-N 3.29Å
733I71.9Confident75.6Confident100 Ų100131 Ų13151%0.51361%0.611SS.*Hα-helixtrans-71.7-43.4177.8-62.1169.3000110.5V729 K730 R735 K736V729-I733 HydrophobicContact CG1-CD1 3.96Å; V729-I733 HydrophobicContact CG1-CG1 4.19Å; V729-I733 PolarHBondContact O-N 3.06Å; K730-I733 PolarHBondContact O-N 3.42Å; I733-R735 VanDerWaalsContact C-N 3.32Å; I733-R735 PolarHBondContact O-N 3.48Å; I733-K736 PolarHBondContact O-N 3.48Å
734R68.1Low76.1Confident173 Ų173129.6 Ų129.665%0.65360%0.598SS**Hα-helixtrans-59.6-33-179.9-90.4-173.9165.1-174.9-4.4114.6K730 K736 A737K730-R734 PolarHBondContact O-N 3.27Å; R734-K736 VanDerWaalsContact C-N 3.31Å; R734-K736 PolarHBondContact O-N 2.87Å; R734-A737 PolarHBondContact O-N 3.2Å
735R64.6Low76.7Confident222 Ų222129.8 Ų129.884%0.83860%0.6SS**Hα-helixtrans-67.9-26.5179-91.5-173.8176177.7-0.1113.8I733I733-R735 VanDerWaalsContact C-N 3.32Å; I733-R735 PolarHBondContact O-N 3.48Å
736K63.5Low77.1Confident171 Ų171129.5 Ų129.574%0.74359%0.594SS**Hα-helixtrans-77.1-25178.1-78.5-173.1174.8-175.70113.1I733 R734I733-K736 PolarHBondContact O-N 3.48Å; R734-K736 VanDerWaalsContact C-N 3.31Å; R734-K736 PolarHBondContact O-N 2.87Å
737A66.5Low77.6Confident76 Ų76124.1 Ų124.163%0.62858%0.578SS**Hα-helixtrans-76.1-30.7-176.300000114.1R734 R739R734-A737 PolarHBondContact O-N 3.2Å; A737-R739 VanDerWaalsContact C-N 3.33Å; A737-R739 PolarHBondContact O-N 3.27Å
738K66.2Low77.9Confident186 Ų186122 Ų12281%0.80957%0.571SS**THydrogen-bonded Turntrans-82.114-170.8-66.3-165174.8-1660116.6S740K738-S740 PolarHBondContact O-N 2.99Å
739R71.3Confident78.4Confident141 Ų141124.2 Ų124.253%0.53257%0.572SS.*  trans-73.2124.1177.7-71.4-178.9171.6177-5.4109.9A737 Q743 K744A737-R739 VanDerWaalsContact C-N 3.33Å; A737-R739 PolarHBondContact O-N 3.27Å; R739-Q743 HydrophobicContact CB-CB 4.27Å; R739-K744 HydrophobicContact CB-CG 4.11Å
740S80.8Confident79Confident58 Ų58126.6 Ų126.641%0.40658%0.584SS.*  trans-58156.5176.675.10000111.1K738 Q742 Q743 K744K738-S740 PolarHBondContact O-N 2.99Å; S740-Q742 PolarHBondContact O-N 3.18Å; S740-Q743 WeakPolarHBondContact O-CA 3.44Å; S740-Q743 WeakPolarHBondContact O-CB 3.27Å; S740-Q743 PolarHBondContact O-N 2.74Å; S740-Q743 WeakPolarHBondContact OG-CG 3.36Å; S740-Q743 PolarHBondContact OG-N 3.3Å; S740-Q743 VanDerWaalsContact OG-N 3.12Å; S740-K744 PolarHBondContact O-N 3.11Å
741F82.4Confident79.5Confident167 Ų167127.3 Ų127.373%0.73259%0.589SS**Hα-helixtrans-55.7-41.3178.1-168.7-93.5000111.4Q743 K744 Q745F741-Q743 PolarHBondContact O-N 3.08Å; F741-K744 PolarHBondContact O-N 3.01Å; F741-Q745 WeakPolarHBondContact O-CB 3.37Å; F741-Q745 PolarHBondContact O-N 3.35Å
742Q84Confident80.2Confident140 Ų140125.1 Ų125.165%0.65458%0.581SS**Hα-helixtrans-57.5-46.3170.7-98.6-175.4-11.500112.8S740 K744 Q745 I746S740-Q742 PolarHBondContact O-N 3.18Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 2.92Å; Q742-Q745 PolarHBondContact O-N 3.46Å; Q742-I746 WeakPolarHBondContact O-CB 3.15Å; Q742-I746 VanDerWaalsContact O-CG1 3.26Å; Q742-I746 WeakPolarHBondContact O-CG1 3.29Å; Q742-I746 PolarHBondContact O-N 3.35Å
743Q85.1Confident80.9Confident105 Ų105124.1 Ų124.149%0.49158%0.577SS.*Hα-helixtrans-65.9-35.7177.6-76.8178.6-1.200112.6R739 S740 F741 A747R739-Q743 HydrophobicContact CB-CB 4.27Å; S740-Q743 WeakPolarHBondContact O-CA 3.44Å; S740-Q743 WeakPolarHBondContact O-CB 3.27Å; S740-Q743 PolarHBondContact O-N 2.74Å; S740-Q743 WeakPolarHBondContact OG-CG 3.36Å; S740-Q743 PolarHBondContact OG-N 3.3Å; S740-Q743 VanDerWaalsContact OG-N 3.12Å; F741-Q743 PolarHBondContact O-N 3.08Å; Q743-A747 WeakPolarHBondContact O-CB 3.47Å; Q743-A747 PolarHBondContact O-N 3.03Å
744K84.7Confident81.9Confident122 Ų122126.8 Ų126.853%0.5358%0.584SS.*Hα-helixtrans-64.4-43.2172.2-72.8-178.5-178176.30110.6R739 S740 F741 Q742 A747 L748R739-K744 HydrophobicContact CB-CG 4.11Å; S740-K744 PolarHBondContact O-N 3.11Å; F741-K744 PolarHBondContact O-N 3.01Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 2.92Å; K744-A747 PolarHBondContact O-N 3.49Å; K744-L748 VanDerWaalsContact O-CB 3.28Å; K744-L748 WeakPolarHBondContact O-CB 3.05Å; K744-L748 PolarHBondContact O-N 3.31Å
745Q87.6Confident82.8Confident105 Ų105122.8 Ų122.849%0.49158%0.575SS.*Hα-helixtrans-65.7-43.7178.6-160.3-178.215.400111.6F741 Q742 L748 R749F741-Q745 WeakPolarHBondContact O-CB 3.37Å; F741-Q745 PolarHBondContact O-N 3.35Å; Q742-Q745 PolarHBondContact O-N 3.46Å; Q745-L748 PolarHBondContact O-N 3.32Å; Q745-R749 WeakPolarHBondContact O-CB 3.43Å; Q745-R749 PolarHBondContact O-N 2.95Å
746I90.1Very high83.9Confident95 Ų95116.1 Ų116.149%0.48756%0.559SS.*Hα-helixtrans-63.3-47.7174.6-66.2163.7000110.3Q742 L748 R749 D750Q742-I746 WeakPolarHBondContact O-CB 3.15Å; Q742-I746 VanDerWaalsContact O-CG1 3.26Å; Q742-I746 WeakPolarHBondContact O-CG1 3.29Å; Q742-I746 PolarHBondContact O-N 3.35Å; I746-L748 VanDerWaalsContact C-N 3.27Å; I746-L748 PolarHBondContact O-N 2.83Å; I746-R749 CarbonylContact O-C 3.58Å; I746-R749 WeakPolarHBondContact O-CB 3.47Å; I746-R749 PolarHBondContact O-N 2.98Å; I746-R749 VanDerWaalsContact O-N 3.12Å; I746-D750 WeakPolarHBondContact O-CB 3.15Å; I746-D750 PolarHBondContact O-N 2.79Å
747A89.7Confident85Confident41 Ų41116.4 Ų116.434%0.33956%0.56SS.*Hα-helixtrans-62.1-35.4178.100000112.3Q743 K744 H751Q743-A747 WeakPolarHBondContact O-CB 3.47Å; Q743-A747 PolarHBondContact O-N 3.03Å; K744-A747 PolarHBondContact O-N 3.49Å; A747-H751 WeakPolarHBondContact O-CB 3.22Å; A747-H751 PolarHBondContact O-N 3.42Å
748L89.6Confident85.9Confident110 Ų110123.5 Ų123.558%0.57657%0.571SS**Hα-helixtrans-69.9-41.8173.8-167.1120.5000111K744 Q745 I746 D750 H751 L752K744-L748 VanDerWaalsContact O-CB 3.28Å; K744-L748 WeakPolarHBondContact O-CB 3.05Å; K744-L748 PolarHBondContact O-N 3.31Å; Q745-L748 PolarHBondContact O-N 3.32Å; I746-L748 VanDerWaalsContact C-N 3.27Å; I746-L748 PolarHBondContact O-N 2.83Å; L748-D750 VanDerWaalsContact C-N 3.35Å; L748-D750 PolarHBondContact O-N 3.36Å; L748-H751 PolarHBondContact O-N 3.3Å; L748-L752 HydrophobicContact CD2-CD1 3.74Å; L748-L752 HydrophobicContact CD2-CG 4.49Å; L748-L752 HydrophobicContact CG-CD1 4.39Å; L748-L752 WeakPolarHBondContact O-CB 3.39Å; L748-L752 VanDerWaalsContact O-CG 3.28Å; L748-L752 WeakPolarHBondContact O-CG 3.42Å; L748-L752 PolarHBondContact O-N 3.35Å
749R89.4Confident86.4Confident169 Ų169119.4 Ų119.464%0.63857%0.566SS**Hα-helixtrans-62.5-41.2174.9-131.7176.5-178.91520.2111.8Q745 I746 L752 K753Q745-R749 WeakPolarHBondContact O-CB 3.43Å; Q745-R749 PolarHBondContact O-N 2.95Å; I746-R749 CarbonylContact O-C 3.58Å; I746-R749 WeakPolarHBondContact O-CB 3.47Å; I746-R749 PolarHBondContact O-N 2.98Å; I746-R749 VanDerWaalsContact O-N 3.12Å; R749-L752 PolarHBondContact O-N 3.35Å; R749-K753 WeakPolarHBondContact O-CB 3.4Å; R749-K753 WeakPolarHBondContact O-CG 3.37Å; R749-K753 PolarHBondContact O-N 3.36Å
750D93.2Very high85.7Confident86 Ų86125 Ų12546%0.4659%0.587SS.*Hα-helixtrans-71-36.8176.2-75-16.3000111.9I746 L748 K753 K754I746-D750 WeakPolarHBondContact O-CB 3.15Å; I746-D750 PolarHBondContact O-N 2.79Å; L748-D750 VanDerWaalsContact C-N 3.35Å; L748-D750 PolarHBondContact O-N 3.36Å; D750-K753 PolarHBondContact O-N 3.3Å; D750-K754 WeakPolarHBondContact O-CB 3.36Å; D750-K754 PolarHBondContact O-N 3.16Å
751H90.1Very high85.9Confident112 Ų112128.4 Ų128.452%0.51960%0.596SS.*Hα-helixtrans-65.3-43.8172.8-176.4-98.6000111.4A747 L748 K754 L755A747-H751 WeakPolarHBondContact O-CB 3.22Å; A747-H751 PolarHBondContact O-N 3.42Å; L748-H751 PolarHBondContact O-N 3.3Å; H751-K754 CarbonylContact O-C 3.32Å; H751-K754 PolarHBondContact O-N 3.3Å; H751-L755 VanDerWaalsContact CE1-CD1 3.42Å; H751-L755 WeakPolarHBondContact CE1-CD1 3.02Å; H751-L755 PolarHBondContact O-N 3.14Å
752L91.2Very high86.1Confident90 Ų90126.4 Ų126.447%0.47159%0.589SS.*Hα-helixtrans-63.9-42.4173.9-72.6172.3000111.1L748 R749 K754 L755 V756L748-L752 HydrophobicContact CD2-CD1 3.74Å; L748-L752 HydrophobicContact CD2-CG 4.49Å; L748-L752 HydrophobicContact CG-CD1 4.39Å; L748-L752 WeakPolarHBondContact O-CB 3.39Å; L748-L752 VanDerWaalsContact O-CG 3.28Å; L748-L752 WeakPolarHBondContact O-CG 3.42Å; L748-L752 PolarHBondContact O-N 3.35Å; R749-L752 PolarHBondContact O-N 3.35Å; L752-K754 VanDerWaalsContact C-N 3.32Å; L752-K754 PolarHBondContact O-N 2.95Å; L752-L755 PolarHBondContact O-N 3.43Å; L752-V756 WeakPolarHBondContact O-CB 3.17Å; L752-V756 VanDerWaalsContact O-CG2 3.27Å; L752-V756 WeakPolarHBondContact O-CG2 3.33Å; L752-V756 PolarHBondContact O-N 3.2Å
753K89.8Confident86.2Confident138 Ų138125.6 Ų125.660%0.659%0.585SS**Hα-helixtrans-60.2-39171.5-82.3-178.8176.1179.60112.2R749 D750 K757R749-K753 WeakPolarHBondContact O-CB 3.4Å; R749-K753 WeakPolarHBondContact O-CG 3.37Å; R749-K753 PolarHBondContact O-N 3.36Å; D750-K753 PolarHBondContact O-N 3.3Å; K753-K757 WeakPolarHBondContact O-CB 3.49Å; K753-K757 PolarHBondContact O-N 3.05Å
754K91.2Very high86.3Confident155 Ų155126.8 Ų126.867%0.67459%0.591SS**Hα-helixtrans-69.3-36.2175.4-90-177177176.80113D750 H751 L752 K757 R758D750-K754 WeakPolarHBondContact O-CB 3.36Å; D750-K754 PolarHBondContact O-N 3.16Å; H751-K754 CarbonylContact O-C 3.32Å; H751-K754 PolarHBondContact O-N 3.3Å; L752-K754 VanDerWaalsContact C-N 3.32Å; L752-K754 PolarHBondContact O-N 2.95Å; K754-K757 PolarHBondContact O-N 3.2Å; K754-R758 WeakPolarHBondContact O-CB 3.23Å; K754-R758 PolarHBondContact O-N 3.28Å
755L88.7Confident86.4Confident89 Ų89127.1 Ų127.147%0.46660%0.595SS.*Hα-helixtrans-67.5-45.1173.4-87.9170.3000110.8H751 L752 K757 R758 S759H751-L755 VanDerWaalsContact CE1-CD1 3.42Å; H751-L755 WeakPolarHBondContact CE1-CD1 3.02Å; H751-L755 PolarHBondContact O-N 3.14Å; L752-L755 PolarHBondContact O-N 3.43Å; L755-K757 VanDerWaalsContact C-N 3.26Å; L755-K757 PolarHBondContact O-N 2.8Å; L755-R758 CarbonylContact O-C 3.59Å; L755-R758 PolarHBondContact O-N 3.25Å; L755-S759 PolarHBondContact O-N 3.14Å; L755-S759 PolarHBondContact O-OG 2.68Å
756V86.5Confident86.3Confident82 Ų82128.6 Ų128.650%0.49760%0.602SS.*Hα-helixtrans-62.7-33.6174.9174.30000111.5L752 R758 S759 R760L752-V756 WeakPolarHBondContact O-CB 3.17Å; L752-V756 VanDerWaalsContact O-CG2 3.27Å; L752-V756 WeakPolarHBondContact O-CG2 3.33Å; L752-V756 PolarHBondContact O-N 3.2Å; V756-R758 VanDerWaalsContact C-N 3.34Å; V756-S759 PolarHBondContact O-OG 3.36Å; V756-R760 PolarHBondContact O-N 2.75Å
757K87Confident86.1Confident177 Ų177131 Ų13177%0.7761%0.61SS**Hα-helixtrans-76.4-12171.8-100.5-171.4174.7-174.10115.2K753 K754 L755 R760K753-K757 WeakPolarHBondContact O-CB 3.49Å; K753-K757 PolarHBondContact O-N 3.05Å; K754-K757 PolarHBondContact O-N 3.2Å; L755-K757 VanDerWaalsContact C-N 3.26Å; L755-K757 PolarHBondContact O-N 2.8Å; K757-R760 VanDerWaalsContact O-OXT 3.07Å
758R85.1Confident85.8Confident226 Ų226137.9 Ų137.985%0.85363%0.631SS**Hα-helixtrans-100.6-19.8172.9-90.1-176.5168.3-176.3-5.3112K754 L755 V756K754-R758 WeakPolarHBondContact O-CB 3.23Å; K754-R758 PolarHBondContact O-N 3.28Å; L755-R758 CarbonylContact O-C 3.59Å; L755-R758 PolarHBondContact O-N 3.25Å; V756-R758 VanDerWaalsContact C-N 3.34Å
759S76.2Confident85.5Confident100 Ų100140.3 Ų140.370%0.69964%0.635SS**Hα-helixtrans-92.5-21.8175.673.80000113L755 V756L755-S759 PolarHBondContact O-N 3.14Å; L755-S759 PolarHBondContact O-OG 2.68Å; V756-S759 PolarHBondContact O-OG 3.36Å
760R57.3Low85.1Confident259 Ų259137.6 Ų137.698%0.97764%0.635SS**  trans-88.80154.3-74.8-175.1174.1-173-2.1108.5V756 K757V756-R760 PolarHBondContact O-N 2.75Å; K757-R760 VanDerWaalsContact O-OXT 3.07Å

Retrieved 760 of 760 residues in 249.4 ms (Link to these results)

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